----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:55:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.584024515000000 -5.202405754999999 0.000000000000000 b 1.584024515000000 5.202405754999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.560172750000000 Atomic positions (fractional): *1 Sr 0.61164814583896 0.38835185416104 0.75000000000000 87.620 2 Sr 0.38835185416104 0.61164814583896 0.25000000000000 87.620 *3 Sc 0.86512089502920 0.13487910497080 0.57036732631400 44.956 4 Sc 0.13487910497080 0.86512089502920 0.42963267368600 44.956 5 Sc 0.86512089502920 0.13487910497080 0.92963267368600 44.956 6 Sc 0.13487910497080 0.86512089502920 0.07036732631400 44.956 *7 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 8 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 *9 O 0.76285240478514 0.23714759521487 0.39499377003600 15.999 *10 O 0.93590280048067 0.06409719951933 0.75000000000000 15.999 11 O 0.06409719951933 0.93590280048067 0.25000000000000 15.999 12 O 0.23714759521487 0.76285240478514 0.60500622996400 15.999 13 O 0.76285240478514 0.23714759521487 0.10500622996400 15.999 14 O 0.23714759521487 0.76285240478514 0.89499377003600 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.168049030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.404811509999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.560172750000000 Atomic positions (fractional): *1 Sr 0.00000000000000 0.38835185416104 0.75000000000000 87.620 > 1 2 Sr 0.50000000000000 0.11164814583896 0.25000000000000 87.620 > 2 3 Sr 0.50000000000000 0.88835185416104 0.75000000000000 87.620 > 1 4 Sr 0.00000000000000 0.61164814583896 0.25000000000000 87.620 > 2 *5 Sc 0.00000000000000 0.13487910497080 0.57036732631400 44.956 > 3 6 Sc 0.50000000000000 0.36512089502920 0.42963267368600 44.956 > 4 7 Sc 0.00000000000000 0.13487910497080 0.92963267368600 44.956 > 5 8 Sc 0.50000000000000 0.36512089502920 0.07036732631400 44.956 > 6 9 Sc 0.50000000000000 0.63487910497080 0.57036732631400 44.956 > 3 10 Sc 0.00000000000000 0.86512089502920 0.42963267368600 44.956 > 4 11 Sc 0.50000000000000 0.63487910497080 0.92963267368600 44.956 > 5 12 Sc 0.00000000000000 0.86512089502920 0.07036732631400 44.956 > 6 *13 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 7 14 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 8 *15 O 0.00000000000000 0.23714759521487 0.39499377003600 15.999 > 9 *16 O 0.00000000000000 0.06409719951933 0.75000000000000 15.999 > 10 17 O 0.50000000000000 0.43590280048067 0.25000000000000 15.999 > 11 18 O 0.50000000000000 0.26285240478513 0.60500622996400 15.999 > 12 19 O 0.00000000000000 0.23714759521487 0.10500622996400 15.999 > 13 20 O 0.50000000000000 0.26285240478513 0.89499377003600 15.999 > 14 21 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 7 22 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 8 23 O 0.50000000000000 0.73714759521487 0.39499377003600 15.999 > 9 24 O 0.50000000000000 0.56409719951933 0.75000000000000 15.999 > 10 25 O 0.00000000000000 0.93590280048067 0.25000000000000 15.999 > 11 26 O 0.00000000000000 0.76285240478513 0.60500622996400 15.999 > 12 27 O 0.50000000000000 0.73714759521487 0.10500622996400 15.999 > 13 28 O 0.00000000000000 0.76285240478513 0.89499377003600 15.999 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.672196120000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.404811509999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.560172750000000 Atomic positions (fractional): *1 Sr 0.00000000000000 0.38835185416104 0.75000000000000 87.620 > 1 2 Sr 0.25000000000000 0.38835185416104 0.75000000000000 87.620 > 1 3 Sr 0.50000000000000 0.38835185416104 0.75000000000000 87.620 > 1 4 Sr 0.75000000000000 0.38835185416104 0.75000000000000 87.620 > 1 5 Sr 0.12500000000000 0.11164814583896 0.25000000000000 87.620 > 2 6 Sr 0.37500000000000 0.11164814583896 0.25000000000000 87.620 > 2 7 Sr 0.62500000000000 0.11164814583896 0.25000000000000 87.620 > 2 8 Sr 0.87500000000000 0.11164814583896 0.25000000000000 87.620 > 2 9 Sr 0.12500000000000 0.88835185416104 0.75000000000000 87.620 > 1 10 Sr 0.37500000000000 0.88835185416104 0.75000000000000 87.620 > 1 11 Sr 0.62500000000000 0.88835185416104 0.75000000000000 87.620 > 1 12 Sr 0.87500000000000 0.88835185416104 0.75000000000000 87.620 > 1 13 Sr 0.00000000000000 0.61164814583896 0.25000000000000 87.620 > 2 14 Sr 0.25000000000000 0.61164814583896 0.25000000000000 87.620 > 2 15 Sr 0.50000000000000 0.61164814583896 0.25000000000000 87.620 > 2 16 Sr 0.75000000000000 0.61164814583896 0.25000000000000 87.620 > 2 *17 Sc 0.00000000000000 0.13487910497080 0.57036732631400 44.956 > 3 18 Sc 0.25000000000000 0.13487910497080 0.57036732631400 44.956 > 3 19 Sc 0.50000000000000 0.13487910497080 0.57036732631400 44.956 > 3 20 Sc 0.75000000000000 0.13487910497080 0.57036732631400 44.956 > 3 21 Sc 0.12500000000000 0.36512089502920 0.42963267368600 44.956 > 4 22 Sc 0.37500000000000 0.36512089502920 0.42963267368600 44.956 > 4 23 Sc 0.62500000000000 0.36512089502920 0.42963267368600 44.956 > 4 24 Sc 0.87500000000000 0.36512089502920 0.42963267368600 44.956 > 4 25 Sc 0.00000000000000 0.13487910497080 0.92963267368600 44.956 > 5 26 Sc 0.25000000000000 0.13487910497080 0.92963267368600 44.956 > 5 27 Sc 0.50000000000000 0.13487910497080 0.92963267368600 44.956 > 5 28 Sc 0.75000000000000 0.13487910497080 0.92963267368600 44.956 > 5 29 Sc 0.12500000000000 0.36512089502920 0.07036732631400 44.956 > 6 30 Sc 0.37500000000000 0.36512089502920 0.07036732631400 44.956 > 6 31 Sc 0.62500000000000 0.36512089502920 0.07036732631400 44.956 > 6 32 Sc 0.87500000000000 0.36512089502920 0.07036732631400 44.956 > 6 33 Sc 0.12500000000000 0.63487910497080 0.57036732631400 44.956 > 3 34 Sc 0.37500000000000 0.63487910497080 0.57036732631400 44.956 > 3 35 Sc 0.62500000000000 0.63487910497080 0.57036732631400 44.956 > 3 36 Sc 0.87500000000000 0.63487910497080 0.57036732631400 44.956 > 3 37 Sc 0.00000000000000 0.86512089502920 0.42963267368600 44.956 > 4 38 Sc 0.25000000000000 0.86512089502920 0.42963267368600 44.956 > 4 39 Sc 0.50000000000000 0.86512089502920 0.42963267368600 44.956 > 4 40 Sc 0.75000000000000 0.86512089502920 0.42963267368600 44.956 > 4 41 Sc 0.12500000000000 0.63487910497080 0.92963267368600 44.956 > 5 42 Sc 0.37500000000000 0.63487910497080 0.92963267368600 44.956 > 5 43 Sc 0.62500000000000 0.63487910497080 0.92963267368600 44.956 > 5 44 Sc 0.87500000000000 0.63487910497080 0.92963267368600 44.956 > 5 45 Sc 0.00000000000000 0.86512089502920 0.07036732631400 44.956 > 6 46 Sc 0.25000000000000 0.86512089502920 0.07036732631400 44.956 > 6 47 Sc 0.50000000000000 0.86512089502920 0.07036732631400 44.956 > 6 48 Sc 0.75000000000000 0.86512089502920 0.07036732631400 44.956 > 6 *49 O 0.12500000000000 0.00000000000000 0.00000000000000 15.999 > 7 50 O 0.37500000000000 0.00000000000000 0.00000000000000 15.999 > 7 51 O 0.62500000000000 0.00000000000000 0.00000000000000 15.999 > 7 52 O 0.87500000000000 0.00000000000000 0.00000000000000 15.999 > 7 53 O 0.12500000000000 0.00000000000000 0.50000000000000 15.999 > 8 54 O 0.37500000000000 0.00000000000000 0.50000000000000 15.999 > 8 55 O 0.62500000000000 0.00000000000000 0.50000000000000 15.999 > 8 56 O 0.87500000000000 0.00000000000000 0.50000000000000 15.999 > 8 *57 O 0.00000000000000 0.23714759521487 0.39499377003600 15.999 > 9 58 O 0.25000000000000 0.23714759521487 0.39499377003600 15.999 > 9 59 O 0.50000000000000 0.23714759521487 0.39499377003600 15.999 > 9 60 O 0.75000000000000 0.23714759521487 0.39499377003600 15.999 > 9 *61 O 0.00000000000000 0.06409719951933 0.75000000000000 15.999 > 10 62 O 0.25000000000000 0.06409719951933 0.75000000000000 15.999 > 10 63 O 0.50000000000000 0.06409719951933 0.75000000000000 15.999 > 10 64 O 0.75000000000000 0.06409719951933 0.75000000000000 15.999 > 10 65 O 0.12500000000000 0.43590280048067 0.25000000000000 15.999 > 11 66 O 0.37500000000000 0.43590280048067 0.25000000000000 15.999 > 11 67 O 0.62500000000000 0.43590280048067 0.25000000000000 15.999 > 11 68 O 0.87500000000000 0.43590280048067 0.25000000000000 15.999 > 11 69 O 0.12500000000000 0.26285240478513 0.60500622996400 15.999 > 12 70 O 0.37500000000000 0.26285240478513 0.60500622996400 15.999 > 12 71 O 0.62500000000000 0.26285240478513 0.60500622996400 15.999 > 12 72 O 0.87500000000000 0.26285240478513 0.60500622996400 15.999 > 12 73 O 0.00000000000000 0.23714759521487 0.10500622996400 15.999 > 13 74 O 0.25000000000000 0.23714759521487 0.10500622996400 15.999 > 13 75 O 0.50000000000000 0.23714759521487 0.10500622996400 15.999 > 13 76 O 0.75000000000000 0.23714759521487 0.10500622996400 15.999 > 13 77 O 0.12500000000000 0.26285240478513 0.89499377003600 15.999 > 14 78 O 0.37500000000000 0.26285240478513 0.89499377003600 15.999 > 14 79 O 0.62500000000000 0.26285240478513 0.89499377003600 15.999 > 14 80 O 0.87500000000000 0.26285240478513 0.89499377003600 15.999 > 14 81 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 7 82 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 7 83 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 7 84 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 7 85 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 8 86 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 8 87 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 8 88 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 8 89 O 0.12500000000000 0.73714759521487 0.39499377003600 15.999 > 9 90 O 0.37500000000000 0.73714759521487 0.39499377003600 15.999 > 9 91 O 0.62500000000000 0.73714759521487 0.39499377003600 15.999 > 9 92 O 0.87500000000000 0.73714759521487 0.39499377003600 15.999 > 9 93 O 0.12500000000000 0.56409719951933 0.75000000000000 15.999 > 10 94 O 0.37500000000000 0.56409719951933 0.75000000000000 15.999 > 10 95 O 0.62500000000000 0.56409719951933 0.75000000000000 15.999 > 10 96 O 0.87500000000000 0.56409719951933 0.75000000000000 15.999 > 10 97 O 0.00000000000000 0.93590280048067 0.25000000000000 15.999 > 11 98 O 0.25000000000000 0.93590280048067 0.25000000000000 15.999 > 11 99 O 0.50000000000000 0.93590280048067 0.25000000000000 15.999 > 11 100 O 0.75000000000000 0.93590280048067 0.25000000000000 15.999 > 11 101 O 0.00000000000000 0.76285240478513 0.60500622996400 15.999 > 12 102 O 0.25000000000000 0.76285240478513 0.60500622996400 15.999 > 12 103 O 0.50000000000000 0.76285240478513 0.60500622996400 15.999 > 12 104 O 0.75000000000000 0.76285240478513 0.60500622996400 15.999 > 12 105 O 0.12500000000000 0.73714759521487 0.10500622996400 15.999 > 13 106 O 0.37500000000000 0.73714759521487 0.10500622996400 15.999 > 13 107 O 0.62500000000000 0.73714759521487 0.10500622996400 15.999 > 13 108 O 0.87500000000000 0.73714759521487 0.10500622996400 15.999 > 13 109 O 0.00000000000000 0.76285240478513 0.89499377003600 15.999 > 14 110 O 0.25000000000000 0.76285240478513 0.89499377003600 15.999 > 14 111 O 0.50000000000000 0.76285240478513 0.89499377003600 15.999 > 14 112 O 0.75000000000000 0.76285240478513 0.89499377003600 15.999 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7791356 0.0000000 0.0000000 0.0000000 4.5756346 0.0000000 0.0000000 0.0000000 4.5341352 -------------------------- Born effective charges -------------------------- 1 Sr 2.4373710 0.0000000 0.0000000 0.0000000 2.7775908 0.0000000 0.0000000 0.0000000 2.4116044 2 Sr 2.4373710 0.0000000 0.0000000 0.0000000 2.7775908 0.0000000 0.0000000 0.0000000 2.4116044 3 Sc 4.0954186 0.0000000 0.0000000 0.0000000 3.6332506 -0.3881461 0.0000000 -0.5519346 3.8008951 4 Sc 4.0954186 0.0000000 0.0000000 0.0000000 3.6332506 -0.3881461 0.0000000 -0.5519346 3.8008951 5 Sc 4.0954186 0.0000000 0.0000000 0.0000000 3.6332506 0.3881461 0.0000000 0.5519346 3.8008951 6 Sc 4.0954186 0.0000000 0.0000000 0.0000000 3.6332506 0.3881461 0.0000000 0.5519346 3.8008951 7 O -3.0857368 0.0000000 0.0000000 0.0000000 -2.6931526 0.5571513 0.0000000 0.5239278 -1.9028949 8 O -3.0857368 0.0000000 0.0000000 0.0000000 -2.6931526 -0.5571513 0.0000000 -0.5239278 -1.9028949 9 O -2.8871501 0.0000000 0.0000000 0.0000000 -2.4942950 -0.0076643 0.0000000 0.1119176 -2.1771877 10 O -1.7681712 0.0000000 0.0000000 0.0000000 -2.3623495 0.0000000 0.0000000 0.0000000 -3.7561242 11 O -1.7681712 0.0000000 0.0000000 0.0000000 -2.3623495 0.0000000 0.0000000 0.0000000 -3.7561242 12 O -2.8871501 0.0000000 0.0000000 0.0000000 -2.4942950 -0.0076643 0.0000000 0.1119176 -2.1771877 13 O -2.8871501 0.0000000 0.0000000 0.0000000 -2.4942950 0.0076643 0.0000000 -0.1119176 -2.1771877 14 O -2.8871501 0.0000000 0.0000000 0.0000000 -2.4942950 0.0076643 0.0000000 -0.1119176 -2.1771877 ---------------------------------------------------------------------------- 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: 1028 Number of blocks in projector: 1028 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: 230 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (1028, 1007), data: False |-- (132, 132), data: True |-- (156, 156), data: True |-- (170, 165), data: True |-- (170, 165), data: True |-- (170, 165), data: True |-- (230, 224), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 1.077 Solver_block: 200 / 240 - Time: 1.089 Solver_block: 240 / 240 - Time: 0.508 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.700 --------------------------------- 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: 1028 Number of blocks in projector: 1028 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: 230 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (1028, 1007), data: False |-- (132, 132), data: True |-- (156, 156), data: True |-- (170, 165), data: True |-- (170, 165), data: True |-- (170, 165), data: True |-- (230, 224), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:55:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:55:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.584024515000000 -5.202405754999999 0.000000000000000 b 1.584024515000000 5.202405754999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.560172750000000 Atomic positions (fractional): 1 Sr 0.61164814583896 0.38835185416104 0.75000000000000 87.620 2 Sr 0.38835185416104 0.61164814583896 0.25000000000000 87.620 3 Sc 0.86512089502920 0.13487910497080 0.57036732631400 44.956 4 Sc 0.13487910497080 0.86512089502920 0.42963267368600 44.956 5 Sc 0.86512089502920 0.13487910497080 0.92963267368600 44.956 6 Sc 0.13487910497080 0.86512089502920 0.07036732631400 44.956 7 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 8 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 9 O 0.76285240478514 0.23714759521487 0.39499377003600 15.999 10 O 0.93590280048067 0.06409719951933 0.75000000000000 15.999 11 O 0.06409719951933 0.93590280048067 0.25000000000000 15.999 12 O 0.23714759521487 0.76285240478514 0.60500622996400 15.999 13 O 0.76285240478514 0.23714759521487 0.10500622996400 15.999 14 O 0.23714759521487 0.76285240478514 0.89499377003600 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.672196120000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.404811509999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.560172750000000 Atomic positions (fractional): 1 Sr 0.00000000000000 0.38835185416104 0.75000000000000 87.620 > 1 2 Sr 0.25000000000000 0.38835185416104 0.75000000000000 87.620 > 1 3 Sr 0.50000000000000 0.38835185416104 0.75000000000000 87.620 > 1 4 Sr 0.75000000000000 0.38835185416104 0.75000000000000 87.620 > 1 5 Sr 0.12500000000000 0.11164814583896 0.25000000000000 87.620 > 5 6 Sr 0.37500000000000 0.11164814583896 0.25000000000000 87.620 > 5 7 Sr 0.62500000000000 0.11164814583896 0.25000000000000 87.620 > 5 8 Sr 0.87500000000000 0.11164814583896 0.25000000000000 87.620 > 5 9 Sr 0.12500000000000 0.88835185416104 0.75000000000000 87.620 > 1 10 Sr 0.37500000000000 0.88835185416104 0.75000000000000 87.620 > 1 11 Sr 0.62500000000000 0.88835185416104 0.75000000000000 87.620 > 1 12 Sr 0.87500000000000 0.88835185416104 0.75000000000000 87.620 > 1 13 Sr 0.00000000000000 0.61164814583896 0.25000000000000 87.620 > 5 14 Sr 0.25000000000000 0.61164814583896 0.25000000000000 87.620 > 5 15 Sr 0.50000000000000 0.61164814583896 0.25000000000000 87.620 > 5 16 Sr 0.75000000000000 0.61164814583896 0.25000000000000 87.620 > 5 17 Sc 0.00000000000000 0.13487910497080 0.57036732631400 44.956 > 17 18 Sc 0.25000000000000 0.13487910497080 0.57036732631400 44.956 > 17 19 Sc 0.50000000000000 0.13487910497080 0.57036732631400 44.956 > 17 20 Sc 0.75000000000000 0.13487910497080 0.57036732631400 44.956 > 17 21 Sc 0.12500000000000 0.36512089502920 0.42963267368600 44.956 > 21 22 Sc 0.37500000000000 0.36512089502920 0.42963267368600 44.956 > 21 23 Sc 0.62500000000000 0.36512089502920 0.42963267368600 44.956 > 21 24 Sc 0.87500000000000 0.36512089502920 0.42963267368600 44.956 > 21 25 Sc 0.00000000000000 0.13487910497080 0.92963267368600 44.956 > 25 26 Sc 0.25000000000000 0.13487910497080 0.92963267368600 44.956 > 25 27 Sc 0.50000000000000 0.13487910497080 0.92963267368600 44.956 > 25 28 Sc 0.75000000000000 0.13487910497080 0.92963267368600 44.956 > 25 29 Sc 0.12500000000000 0.36512089502920 0.07036732631400 44.956 > 29 30 Sc 0.37500000000000 0.36512089502920 0.07036732631400 44.956 > 29 31 Sc 0.62500000000000 0.36512089502920 0.07036732631400 44.956 > 29 32 Sc 0.87500000000000 0.36512089502920 0.07036732631400 44.956 > 29 33 Sc 0.12500000000000 0.63487910497080 0.57036732631400 44.956 > 17 34 Sc 0.37500000000000 0.63487910497080 0.57036732631400 44.956 > 17 35 Sc 0.62500000000000 0.63487910497080 0.57036732631400 44.956 > 17 36 Sc 0.87500000000000 0.63487910497080 0.57036732631400 44.956 > 17 37 Sc 0.00000000000000 0.86512089502920 0.42963267368600 44.956 > 21 38 Sc 0.25000000000000 0.86512089502920 0.42963267368600 44.956 > 21 39 Sc 0.50000000000000 0.86512089502920 0.42963267368600 44.956 > 21 40 Sc 0.75000000000000 0.86512089502920 0.42963267368600 44.956 > 21 41 Sc 0.12500000000000 0.63487910497080 0.92963267368600 44.956 > 25 42 Sc 0.37500000000000 0.63487910497080 0.92963267368600 44.956 > 25 43 Sc 0.62500000000000 0.63487910497080 0.92963267368600 44.956 > 25 44 Sc 0.87500000000000 0.63487910497080 0.92963267368600 44.956 > 25 45 Sc 0.00000000000000 0.86512089502920 0.07036732631400 44.956 > 29 46 Sc 0.25000000000000 0.86512089502920 0.07036732631400 44.956 > 29 47 Sc 0.50000000000000 0.86512089502920 0.07036732631400 44.956 > 29 48 Sc 0.75000000000000 0.86512089502920 0.07036732631400 44.956 > 29 49 O 0.12500000000000 0.00000000000000 0.00000000000000 15.999 > 49 50 O 0.37500000000000 0.00000000000000 0.00000000000000 15.999 > 49 51 O 0.62500000000000 0.00000000000000 0.00000000000000 15.999 > 49 52 O 0.87500000000000 0.00000000000000 0.00000000000000 15.999 > 49 53 O 0.12500000000000 0.00000000000000 0.50000000000000 15.999 > 53 54 O 0.37500000000000 0.00000000000000 0.50000000000000 15.999 > 53 55 O 0.62500000000000 0.00000000000000 0.50000000000000 15.999 > 53 56 O 0.87500000000000 0.00000000000000 0.50000000000000 15.999 > 53 57 O 0.00000000000000 0.23714759521487 0.39499377003600 15.999 > 57 58 O 0.25000000000000 0.23714759521487 0.39499377003600 15.999 > 57 59 O 0.50000000000000 0.23714759521487 0.39499377003600 15.999 > 57 60 O 0.75000000000000 0.23714759521487 0.39499377003600 15.999 > 57 61 O 0.00000000000000 0.06409719951933 0.75000000000000 15.999 > 61 62 O 0.25000000000000 0.06409719951933 0.75000000000000 15.999 > 61 63 O 0.50000000000000 0.06409719951933 0.75000000000000 15.999 > 61 64 O 0.75000000000000 0.06409719951933 0.75000000000000 15.999 > 61 65 O 0.12500000000000 0.43590280048067 0.25000000000000 15.999 > 65 66 O 0.37500000000000 0.43590280048067 0.25000000000000 15.999 > 65 67 O 0.62500000000000 0.43590280048067 0.25000000000000 15.999 > 65 68 O 0.87500000000000 0.43590280048067 0.25000000000000 15.999 > 65 69 O 0.12500000000000 0.26285240478513 0.60500622996400 15.999 > 69 70 O 0.37500000000000 0.26285240478513 0.60500622996400 15.999 > 69 71 O 0.62500000000000 0.26285240478513 0.60500622996400 15.999 > 69 72 O 0.87500000000000 0.26285240478513 0.60500622996400 15.999 > 69 73 O 0.00000000000000 0.23714759521487 0.10500622996400 15.999 > 73 74 O 0.25000000000000 0.23714759521487 0.10500622996400 15.999 > 73 75 O 0.50000000000000 0.23714759521487 0.10500622996400 15.999 > 73 76 O 0.75000000000000 0.23714759521487 0.10500622996400 15.999 > 73 77 O 0.12500000000000 0.26285240478513 0.89499377003600 15.999 > 77 78 O 0.37500000000000 0.26285240478513 0.89499377003600 15.999 > 77 79 O 0.62500000000000 0.26285240478513 0.89499377003600 15.999 > 77 80 O 0.87500000000000 0.26285240478513 0.89499377003600 15.999 > 77 81 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 49 82 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 49 83 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 49 84 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 49 85 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 53 86 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 53 87 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 53 88 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 53 89 O 0.12500000000000 0.73714759521487 0.39499377003600 15.999 > 57 90 O 0.37500000000000 0.73714759521487 0.39499377003600 15.999 > 57 91 O 0.62500000000000 0.73714759521487 0.39499377003600 15.999 > 57 92 O 0.87500000000000 0.73714759521487 0.39499377003600 15.999 > 57 93 O 0.12500000000000 0.56409719951933 0.75000000000000 15.999 > 61 94 O 0.37500000000000 0.56409719951933 0.75000000000000 15.999 > 61 95 O 0.62500000000000 0.56409719951933 0.75000000000000 15.999 > 61 96 O 0.87500000000000 0.56409719951933 0.75000000000000 15.999 > 61 97 O 0.00000000000000 0.93590280048067 0.25000000000000 15.999 > 65 98 O 0.25000000000000 0.93590280048067 0.25000000000000 15.999 > 65 99 O 0.50000000000000 0.93590280048067 0.25000000000000 15.999 > 65 100 O 0.75000000000000 0.93590280048067 0.25000000000000 15.999 > 65 101 O 0.00000000000000 0.76285240478513 0.60500622996400 15.999 > 69 102 O 0.25000000000000 0.76285240478513 0.60500622996400 15.999 > 69 103 O 0.50000000000000 0.76285240478513 0.60500622996400 15.999 > 69 104 O 0.75000000000000 0.76285240478513 0.60500622996400 15.999 > 69 105 O 0.12500000000000 0.73714759521487 0.10500622996400 15.999 > 73 106 O 0.37500000000000 0.73714759521487 0.10500622996400 15.999 > 73 107 O 0.62500000000000 0.73714759521487 0.10500622996400 15.999 > 73 108 O 0.87500000000000 0.73714759521487 0.10500622996400 15.999 > 73 109 O 0.00000000000000 0.76285240478513 0.89499377003600 15.999 > 77 110 O 0.25000000000000 0.76285240478513 0.89499377003600 15.999 > 77 111 O 0.50000000000000 0.76285240478513 0.89499377003600 15.999 > 77 112 O 0.75000000000000 0.76285240478513 0.89499377003600 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7791356 0.0000000 0.0000000 0.0000000 4.5756346 0.0000000 0.0000000 0.0000000 4.5341352 -------------------------- Born effective charges -------------------------- 1 Sr 2.4373710 0.0000000 0.0000000 0.0000000 2.7775908 0.0000000 0.0000000 0.0000000 2.4116044 2 Sr 2.4373710 0.0000000 0.0000000 0.0000000 2.7775908 0.0000000 0.0000000 0.0000000 2.4116044 3 Sc 4.0954186 0.0000000 0.0000000 0.0000000 3.6332506 -0.3881461 0.0000000 -0.5519346 3.8008951 4 Sc 4.0954186 0.0000000 0.0000000 0.0000000 3.6332506 -0.3881461 0.0000000 -0.5519346 3.8008951 5 Sc 4.0954186 0.0000000 0.0000000 0.0000000 3.6332506 0.3881461 0.0000000 0.5519346 3.8008951 6 Sc 4.0954186 0.0000000 0.0000000 0.0000000 3.6332506 0.3881461 0.0000000 0.5519346 3.8008951 7 O -3.0857368 0.0000000 0.0000000 0.0000000 -2.6931526 0.5571513 0.0000000 0.5239278 -1.9028949 8 O -3.0857368 0.0000000 0.0000000 0.0000000 -2.6931526 -0.5571513 0.0000000 -0.5239278 -1.9028949 9 O -2.8871501 0.0000000 0.0000000 0.0000000 -2.4942950 -0.0076643 0.0000000 0.1119176 -2.1771877 10 O -1.7681712 0.0000000 0.0000000 0.0000000 -2.3623495 0.0000000 0.0000000 0.0000000 -3.7561242 11 O -1.7681712 0.0000000 0.0000000 0.0000000 -2.3623495 0.0000000 0.0000000 0.0000000 -3.7561242 12 O -2.8871501 0.0000000 0.0000000 0.0000000 -2.4942950 -0.0076643 0.0000000 0.1119176 -2.1771877 13 O -2.8871501 0.0000000 0.0000000 0.0000000 -2.4942950 0.0076643 0.0000000 -0.1119176 -2.1771877 14 O -2.8871501 0.0000000 0.0000000 0.0000000 -2.4942950 0.0076643 0.0000000 -0.1119176 -2.1771877 ---------------------------------------------------------------------------- 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 23:56:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:56:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.584024515000000 -5.202405754999999 0.000000000000000 b 1.584024515000000 5.202405754999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.560172750000000 Atomic positions (fractional): 1 Sr 0.61164814583896 0.38835185416104 0.75000000000000 87.620 2 Sr 0.38835185416104 0.61164814583896 0.25000000000000 87.620 3 Sc 0.86512089502920 0.13487910497080 0.57036732631400 44.956 4 Sc 0.13487910497080 0.86512089502920 0.42963267368600 44.956 5 Sc 0.86512089502920 0.13487910497080 0.92963267368600 44.956 6 Sc 0.13487910497080 0.86512089502920 0.07036732631400 44.956 7 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 8 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 9 O 0.76285240478514 0.23714759521487 0.39499377003600 15.999 10 O 0.93590280048067 0.06409719951933 0.75000000000000 15.999 11 O 0.06409719951933 0.93590280048067 0.25000000000000 15.999 12 O 0.23714759521487 0.76285240478514 0.60500622996400 15.999 13 O 0.76285240478514 0.23714759521487 0.10500622996400 15.999 14 O 0.23714759521487 0.76285240478514 0.89499377003600 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.672196120000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.404811509999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.560172750000000 Atomic positions (fractional): 1 Sr 0.00000000000000 0.38835185416104 0.75000000000000 87.620 > 1 2 Sr 0.25000000000000 0.38835185416104 0.75000000000000 87.620 > 1 3 Sr 0.50000000000000 0.38835185416104 0.75000000000000 87.620 > 1 4 Sr 0.75000000000000 0.38835185416104 0.75000000000000 87.620 > 1 5 Sr 0.12500000000000 0.11164814583896 0.25000000000000 87.620 > 5 6 Sr 0.37500000000000 0.11164814583896 0.25000000000000 87.620 > 5 7 Sr 0.62500000000000 0.11164814583896 0.25000000000000 87.620 > 5 8 Sr 0.87500000000000 0.11164814583896 0.25000000000000 87.620 > 5 9 Sr 0.12500000000000 0.88835185416104 0.75000000000000 87.620 > 1 10 Sr 0.37500000000000 0.88835185416104 0.75000000000000 87.620 > 1 11 Sr 0.62500000000000 0.88835185416104 0.75000000000000 87.620 > 1 12 Sr 0.87500000000000 0.88835185416104 0.75000000000000 87.620 > 1 13 Sr 0.00000000000000 0.61164814583896 0.25000000000000 87.620 > 5 14 Sr 0.25000000000000 0.61164814583896 0.25000000000000 87.620 > 5 15 Sr 0.50000000000000 0.61164814583896 0.25000000000000 87.620 > 5 16 Sr 0.75000000000000 0.61164814583896 0.25000000000000 87.620 > 5 17 Sc 0.00000000000000 0.13487910497080 0.57036732631400 44.956 > 17 18 Sc 0.25000000000000 0.13487910497080 0.57036732631400 44.956 > 17 19 Sc 0.50000000000000 0.13487910497080 0.57036732631400 44.956 > 17 20 Sc 0.75000000000000 0.13487910497080 0.57036732631400 44.956 > 17 21 Sc 0.12500000000000 0.36512089502920 0.42963267368600 44.956 > 21 22 Sc 0.37500000000000 0.36512089502920 0.42963267368600 44.956 > 21 23 Sc 0.62500000000000 0.36512089502920 0.42963267368600 44.956 > 21 24 Sc 0.87500000000000 0.36512089502920 0.42963267368600 44.956 > 21 25 Sc 0.00000000000000 0.13487910497080 0.92963267368600 44.956 > 25 26 Sc 0.25000000000000 0.13487910497080 0.92963267368600 44.956 > 25 27 Sc 0.50000000000000 0.13487910497080 0.92963267368600 44.956 > 25 28 Sc 0.75000000000000 0.13487910497080 0.92963267368600 44.956 > 25 29 Sc 0.12500000000000 0.36512089502920 0.07036732631400 44.956 > 29 30 Sc 0.37500000000000 0.36512089502920 0.07036732631400 44.956 > 29 31 Sc 0.62500000000000 0.36512089502920 0.07036732631400 44.956 > 29 32 Sc 0.87500000000000 0.36512089502920 0.07036732631400 44.956 > 29 33 Sc 0.12500000000000 0.63487910497080 0.57036732631400 44.956 > 17 34 Sc 0.37500000000000 0.63487910497080 0.57036732631400 44.956 > 17 35 Sc 0.62500000000000 0.63487910497080 0.57036732631400 44.956 > 17 36 Sc 0.87500000000000 0.63487910497080 0.57036732631400 44.956 > 17 37 Sc 0.00000000000000 0.86512089502920 0.42963267368600 44.956 > 21 38 Sc 0.25000000000000 0.86512089502920 0.42963267368600 44.956 > 21 39 Sc 0.50000000000000 0.86512089502920 0.42963267368600 44.956 > 21 40 Sc 0.75000000000000 0.86512089502920 0.42963267368600 44.956 > 21 41 Sc 0.12500000000000 0.63487910497080 0.92963267368600 44.956 > 25 42 Sc 0.37500000000000 0.63487910497080 0.92963267368600 44.956 > 25 43 Sc 0.62500000000000 0.63487910497080 0.92963267368600 44.956 > 25 44 Sc 0.87500000000000 0.63487910497080 0.92963267368600 44.956 > 25 45 Sc 0.00000000000000 0.86512089502920 0.07036732631400 44.956 > 29 46 Sc 0.25000000000000 0.86512089502920 0.07036732631400 44.956 > 29 47 Sc 0.50000000000000 0.86512089502920 0.07036732631400 44.956 > 29 48 Sc 0.75000000000000 0.86512089502920 0.07036732631400 44.956 > 29 49 O 0.12500000000000 0.00000000000000 0.00000000000000 15.999 > 49 50 O 0.37500000000000 0.00000000000000 0.00000000000000 15.999 > 49 51 O 0.62500000000000 0.00000000000000 0.00000000000000 15.999 > 49 52 O 0.87500000000000 0.00000000000000 0.00000000000000 15.999 > 49 53 O 0.12500000000000 0.00000000000000 0.50000000000000 15.999 > 53 54 O 0.37500000000000 0.00000000000000 0.50000000000000 15.999 > 53 55 O 0.62500000000000 0.00000000000000 0.50000000000000 15.999 > 53 56 O 0.87500000000000 0.00000000000000 0.50000000000000 15.999 > 53 57 O 0.00000000000000 0.23714759521487 0.39499377003600 15.999 > 57 58 O 0.25000000000000 0.23714759521487 0.39499377003600 15.999 > 57 59 O 0.50000000000000 0.23714759521487 0.39499377003600 15.999 > 57 60 O 0.75000000000000 0.23714759521487 0.39499377003600 15.999 > 57 61 O 0.00000000000000 0.06409719951933 0.75000000000000 15.999 > 61 62 O 0.25000000000000 0.06409719951933 0.75000000000000 15.999 > 61 63 O 0.50000000000000 0.06409719951933 0.75000000000000 15.999 > 61 64 O 0.75000000000000 0.06409719951933 0.75000000000000 15.999 > 61 65 O 0.12500000000000 0.43590280048067 0.25000000000000 15.999 > 65 66 O 0.37500000000000 0.43590280048067 0.25000000000000 15.999 > 65 67 O 0.62500000000000 0.43590280048067 0.25000000000000 15.999 > 65 68 O 0.87500000000000 0.43590280048067 0.25000000000000 15.999 > 65 69 O 0.12500000000000 0.26285240478513 0.60500622996400 15.999 > 69 70 O 0.37500000000000 0.26285240478513 0.60500622996400 15.999 > 69 71 O 0.62500000000000 0.26285240478513 0.60500622996400 15.999 > 69 72 O 0.87500000000000 0.26285240478513 0.60500622996400 15.999 > 69 73 O 0.00000000000000 0.23714759521487 0.10500622996400 15.999 > 73 74 O 0.25000000000000 0.23714759521487 0.10500622996400 15.999 > 73 75 O 0.50000000000000 0.23714759521487 0.10500622996400 15.999 > 73 76 O 0.75000000000000 0.23714759521487 0.10500622996400 15.999 > 73 77 O 0.12500000000000 0.26285240478513 0.89499377003600 15.999 > 77 78 O 0.37500000000000 0.26285240478513 0.89499377003600 15.999 > 77 79 O 0.62500000000000 0.26285240478513 0.89499377003600 15.999 > 77 80 O 0.87500000000000 0.26285240478513 0.89499377003600 15.999 > 77 81 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 49 82 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 49 83 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 49 84 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 49 85 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 53 86 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 53 87 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 53 88 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 53 89 O 0.12500000000000 0.73714759521487 0.39499377003600 15.999 > 57 90 O 0.37500000000000 0.73714759521487 0.39499377003600 15.999 > 57 91 O 0.62500000000000 0.73714759521487 0.39499377003600 15.999 > 57 92 O 0.87500000000000 0.73714759521487 0.39499377003600 15.999 > 57 93 O 0.12500000000000 0.56409719951933 0.75000000000000 15.999 > 61 94 O 0.37500000000000 0.56409719951933 0.75000000000000 15.999 > 61 95 O 0.62500000000000 0.56409719951933 0.75000000000000 15.999 > 61 96 O 0.87500000000000 0.56409719951933 0.75000000000000 15.999 > 61 97 O 0.00000000000000 0.93590280048067 0.25000000000000 15.999 > 65 98 O 0.25000000000000 0.93590280048067 0.25000000000000 15.999 > 65 99 O 0.50000000000000 0.93590280048067 0.25000000000000 15.999 > 65 100 O 0.75000000000000 0.93590280048067 0.25000000000000 15.999 > 65 101 O 0.00000000000000 0.76285240478513 0.60500622996400 15.999 > 69 102 O 0.25000000000000 0.76285240478513 0.60500622996400 15.999 > 69 103 O 0.50000000000000 0.76285240478513 0.60500622996400 15.999 > 69 104 O 0.75000000000000 0.76285240478513 0.60500622996400 15.999 > 69 105 O 0.12500000000000 0.73714759521487 0.10500622996400 15.999 > 73 106 O 0.37500000000000 0.73714759521487 0.10500622996400 15.999 > 73 107 O 0.62500000000000 0.73714759521487 0.10500622996400 15.999 > 73 108 O 0.87500000000000 0.73714759521487 0.10500622996400 15.999 > 73 109 O 0.00000000000000 0.76285240478513 0.89499377003600 15.999 > 77 110 O 0.25000000000000 0.76285240478513 0.89499377003600 15.999 > 77 111 O 0.50000000000000 0.76285240478513 0.89499377003600 15.999 > 77 112 O 0.75000000000000 0.76285240478513 0.89499377003600 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7791356 0.0000000 0.0000000 0.0000000 4.5756346 0.0000000 0.0000000 0.0000000 4.5341352 -------------------------- Born effective charges -------------------------- 1 Sr 2.4373710 0.0000000 0.0000000 0.0000000 2.7775908 0.0000000 0.0000000 0.0000000 2.4116044 2 Sr 2.4373710 0.0000000 0.0000000 0.0000000 2.7775908 0.0000000 0.0000000 0.0000000 2.4116044 3 Sc 4.0954186 0.0000000 0.0000000 0.0000000 3.6332506 -0.3881461 0.0000000 -0.5519346 3.8008951 4 Sc 4.0954186 0.0000000 0.0000000 0.0000000 3.6332506 -0.3881461 0.0000000 -0.5519346 3.8008951 5 Sc 4.0954186 0.0000000 0.0000000 0.0000000 3.6332506 0.3881461 0.0000000 0.5519346 3.8008951 6 Sc 4.0954186 0.0000000 0.0000000 0.0000000 3.6332506 0.3881461 0.0000000 0.5519346 3.8008951 7 O -3.0857368 0.0000000 0.0000000 0.0000000 -2.6931526 0.5571513 0.0000000 0.5239278 -1.9028949 8 O -3.0857368 0.0000000 0.0000000 0.0000000 -2.6931526 -0.5571513 0.0000000 -0.5239278 -1.9028949 9 O -2.8871501 0.0000000 0.0000000 0.0000000 -2.4942950 -0.0076643 0.0000000 0.1119176 -2.1771877 10 O -1.7681712 0.0000000 0.0000000 0.0000000 -2.3623495 0.0000000 0.0000000 0.0000000 -3.7561242 11 O -1.7681712 0.0000000 0.0000000 0.0000000 -2.3623495 0.0000000 0.0000000 0.0000000 -3.7561242 12 O -2.8871501 0.0000000 0.0000000 0.0000000 -2.4942950 -0.0076643 0.0000000 0.1119176 -2.1771877 13 O -2.8871501 0.0000000 0.0000000 0.0000000 -2.4942950 0.0076643 0.0000000 -0.1119176 -2.1771877 14 O -2.8871501 0.0000000 0.0000000 0.0000000 -2.4942950 0.0076643 0.0000000 -0.1119176 -2.1771877 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 16 16 5 ] 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: 0.74, Number of G-points: 291, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/219) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 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 2.844 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.269 ( 0.000 0.000 0.000) 0.000 4.066 ( 0.000 0.000 0.000) 0.000 4.091 ( 0.000 0.000 0.000) 0.000 4.460 ( 0.000 0.000 0.000) 0.000 4.535 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 5.860 ( 0.000 0.000 0.000) 0.000 6.842 ( 0.000 0.000 0.000) 0.000 7.077 ( 0.000 0.000 0.000) 0.000 7.151 ( 0.000 0.000 0.000) 0.000 7.341 ( 0.000 0.000 0.000) 0.000 8.853 ( 0.000 0.000 0.000) 0.000 9.065 ( 0.000 0.000 0.000) 0.000 9.085 ( 0.000 0.000 0.000) 0.000 9.242 ( 0.000 0.000 0.000) 0.000 9.450 ( 0.000 0.000 0.000) 0.000 9.647 ( 0.000 0.000 0.000) 0.000 9.867 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.564 ( 0.000 0.000 0.000) 0.000 11.155 ( 0.000 0.000 0.000) 0.000 11.247 ( 0.000 0.000 0.000) 0.000 11.528 ( 0.000 0.000 0.000) 0.000 12.237 ( 0.000 0.000 0.000) 0.000 12.422 ( 0.000 0.000 0.000) 0.000 12.440 ( 0.000 0.000 0.000) 0.000 12.506 ( 0.000 0.000 0.000) 0.000 12.959 ( 0.000 0.000 0.000) 0.000 13.200 ( 0.000 0.000 0.000) 0.000 13.377 ( 0.000 0.000 0.000) 0.000 13.537 ( 0.000 0.000 0.000) 0.000 15.582 ( 0.000 0.000 0.000) 0.000 16.260 ( 0.000 0.000 0.000) 0.000 17.742 ( 0.000 0.000 0.000) 0.000 17.884 ( 0.000 0.000 0.000) 0.000 19.694 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/219) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 36.017 -16.595 0.000) 39.656 0.833 ( 35.408 -25.797 0.000) 43.808 1.662 ( 77.888 -10.707 0.000) 78.621 3.234 ( 30.971 2.121 0.000) 31.043 3.338 ( 8.830 -5.338 0.000) 10.318 3.427 ( 14.627 -0.137 0.000) 14.628 4.051 ( 0.405 8.427 0.000) 8.436 4.433 ( 22.727 8.527 0.000) 24.274 4.691 ( 14.528 9.061 0.000) 17.122 4.764 ( 20.347 -6.999 0.000) 21.517 4.789 ( 19.921 -7.057 0.000) 21.134 5.850 ( 0.271 0.970 0.000) 1.008 5.918 ( 3.717 -3.508 0.000) 5.111 6.869 ( 2.380 -1.368 0.000) 2.745 7.211 ( -1.431 0.145 0.000) 1.438 7.726 ( 42.408 3.451 0.000) 42.549 8.883 ( 0.391 -9.991 0.000) 9.998 8.892 ( -2.438 14.065 0.000) 14.274 9.178 ( 8.306 11.013 0.000) 13.794 9.283 ( 8.570 -1.684 0.000) 8.734 9.363 ( 9.369 41.052 0.000) 42.107 9.535 ( 6.549 9.179 0.000) 11.276 9.893 ( 2.181 -2.345 0.000) 3.202 10.308 ( 1.671 2.300 0.000) 2.843 10.511 ( -4.074 4.937 0.000) 6.401 10.560 ( -11.162 -35.468 0.000) 37.183 11.157 ( 1.145 2.357 0.000) 2.620 11.406 ( -9.861 0.479 0.000) 9.873 12.191 ( -1.435 6.905 0.000) 7.053 12.377 ( -5.207 -2.171 0.000) 5.641 12.499 ( -0.276 1.858 0.000) 1.879 12.561 ( 9.955 -0.648 0.000) 9.976 12.917 ( -5.953 -5.173 0.000) 7.887 13.125 ( -5.165 6.347 0.000) 8.182 13.375 ( -0.261 -0.618 0.000) 0.671 13.531 ( -0.769 -0.603 0.000) 0.977 15.505 ( -7.621 -0.203 0.000) 7.623 16.157 ( -8.559 -0.675 0.000) 8.585 17.703 ( -4.607 -2.007 0.000) 5.026 17.794 ( -5.747 6.167 0.000) 8.430 18.682 ( -3.701 -2.084 0.000) 4.248 19.637 ( -4.942 1.967 0.000) 5.319 ======================= Grid point 2 (3/219) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 33.530 -14.308 0.000) 36.455 1.693 ( 36.605 -21.029 0.000) 42.216 3.128 ( 62.081 -8.898 0.000) 62.715 3.531 ( 14.237 -0.057 0.000) 14.237 3.759 ( 17.398 5.647 0.000) 18.291 3.826 ( 15.707 -4.459 0.000) 16.328 4.060 ( 7.743 4.994 0.000) 9.214 4.958 ( 35.905 15.025 0.000) 38.922 5.068 ( 37.093 15.958 0.000) 40.380 5.369 ( 32.101 -15.860 0.000) 35.806 5.503 ( 40.995 -12.169 0.000) 42.763 5.855 ( 1.190 1.320 0.000) 1.777 6.062 ( 10.943 1.474 0.000) 11.042 6.964 ( 6.574 -2.626 0.000) 7.079 7.158 ( -2.226 -0.342 0.000) 2.252 8.553 ( 32.872 16.860 0.000) 36.944 8.768 ( -3.172 8.304 0.000) 8.889 9.089 ( 17.131 -23.781 0.000) 29.309 9.194 ( -2.078 2.401 0.000) 3.175 9.363 ( 9.801 22.181 0.000) 24.250 9.513 ( 11.021 -2.881 0.000) 11.391 9.612 ( 6.417 5.654 0.000) 8.552 10.005 ( 9.249 -0.091 0.000) 9.250 10.322 ( -3.926 8.967 0.000) 9.788 10.358 ( -0.612 5.160 0.000) 5.196 10.560 ( -3.427 -13.755 0.000) 14.175 11.139 ( -3.959 4.993 0.000) 6.372 11.274 ( 0.896 -3.768 0.000) 3.873 12.100 ( -2.713 9.561 0.000) 9.939 12.244 ( -9.985 -3.526 0.000) 10.589 12.463 ( -1.322 6.326 0.000) 6.463 12.754 ( 7.729 0.285 0.000) 7.734 12.793 ( -9.584 -7.190 0.000) 11.981 12.953 ( -7.851 5.275 0.000) 9.459 13.386 ( 1.589 -0.188 0.000) 1.600 13.520 ( -0.725 -1.579 0.000) 1.737 15.300 ( -13.153 -1.474 0.000) 13.235 15.905 ( -19.836 -8.407 0.000) 21.544 17.577 ( -11.989 6.429 0.000) 13.604 17.589 ( -8.442 -3.628 0.000) 9.188 18.587 ( -5.697 3.530 0.000) 6.702 19.490 ( -7.821 3.718 0.000) 8.660 ======================= Grid point 3 (4/219) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 27.455 -11.189 0.000) 29.648 2.484 ( 31.200 -15.562 0.000) 34.865 3.783 ( 7.841 5.896 0.000) 9.810 3.805 ( 8.777 14.242 0.000) 16.729 4.048 ( 11.838 -8.320 0.000) 14.470 4.241 ( 28.400 -4.457 0.000) 28.748 4.427 ( 31.104 -4.763 0.000) 31.466 5.571 ( 31.003 9.894 0.000) 32.544 5.779 ( 34.936 16.022 0.000) 38.435 5.869 ( 6.848 6.213 0.000) 9.246 6.089 ( 30.808 -1.766 0.000) 30.858 6.418 ( 27.145 -3.702 0.000) 27.396 6.428 ( 36.026 -15.326 0.000) 39.151 7.194 ( 15.824 -5.821 0.000) 16.860 7.249 ( 16.398 -5.051 0.000) 17.159 8.673 ( -1.572 7.457 0.000) 7.621 8.749 ( 3.062 7.797 0.000) 8.376 9.143 ( -4.193 -5.158 0.000) 6.648 9.377 ( 3.696 14.241 0.000) 14.713 9.628 ( 9.783 -9.174 0.000) 13.411 9.693 ( 5.885 -4.616 0.000) 7.479 9.788 ( 15.407 10.532 0.000) 18.662 10.141 ( 3.425 13.460 0.000) 13.888 10.250 ( 13.923 1.180 0.000) 13.973 10.441 ( 8.618 4.884 0.000) 9.906 10.614 ( 4.035 -6.016 0.000) 7.244 11.011 ( -5.556 -0.566 0.000) 5.585 11.467 ( 15.310 -0.906 0.000) 15.336 11.958 ( -4.893 14.467 0.000) 15.272 12.034 ( -13.128 -3.990 0.000) 13.721 12.359 ( -5.911 2.575 0.000) 6.447 12.639 ( -7.440 7.660 0.000) 10.679 12.815 ( -4.925 -9.880 0.000) 11.039 12.820 ( -0.745 1.124 0.000) 1.349 13.443 ( 3.577 1.265 0.000) 3.794 13.537 ( 1.912 -2.776 0.000) 3.371 15.023 ( -15.753 -2.945 0.000) 16.026 15.477 ( -29.189 -10.947 0.000) 31.174 17.261 ( -15.301 7.709 0.000) 17.133 17.424 ( -10.610 -5.003 0.000) 11.731 18.410 ( -9.061 7.371 0.000) 11.680 19.292 ( -9.433 5.513 0.000) 10.925 ======================= Grid point 4 (5/219) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 17.920 -7.829 0.000) 19.555 3.070 ( 19.850 -9.589 0.000) 22.045 3.765 ( -2.807 5.151 0.000) 5.866 3.852 ( 5.948 12.525 0.000) 13.866 4.482 ( 25.218 -5.797 0.000) 25.876 4.655 ( 16.236 -2.787 0.000) 16.473 5.061 ( 26.710 3.157 0.000) 26.895 5.842 ( 0.165 5.904 0.000) 5.907 6.022 ( 17.435 -4.981 0.000) 18.132 6.284 ( 16.807 11.106 0.000) 20.145 6.655 ( 31.813 12.040 0.000) 34.016 6.962 ( 21.962 1.188 0.000) 21.994 6.970 ( 19.793 -6.915 0.000) 20.966 7.719 ( 28.317 -16.252 0.000) 32.649 7.995 ( 44.975 -11.198 0.000) 46.348 8.621 ( -0.132 5.169 0.000) 5.170 8.687 ( -4.356 6.955 0.000) 8.206 9.014 ( -10.890 -2.216 0.000) 11.113 9.466 ( 12.446 4.603 0.000) 13.270 9.490 ( -16.595 -4.291 0.000) 17.141 9.883 ( 12.562 -1.330 0.000) 12.632 10.000 ( 11.782 12.618 0.000) 17.264 10.334 ( 16.607 15.306 0.000) 22.584 10.460 ( 7.045 -3.425 0.000) 7.833 10.621 ( 11.510 5.182 0.000) 12.622 10.825 ( 14.450 2.200 0.000) 14.616 10.957 ( 0.554 -0.617 0.000) 0.829 11.738 ( -7.534 15.003 0.000) 16.789 11.752 ( -5.050 -7.795 0.000) 9.288 11.860 ( 9.385 2.486 0.000) 9.709 12.231 ( -7.411 -3.239 0.000) 8.088 12.421 ( -7.531 8.359 0.000) 11.251 12.733 ( -6.463 1.679 0.000) 6.678 12.880 ( 4.606 -8.370 0.000) 9.553 13.481 ( 1.436 1.279 0.000) 1.923 13.632 ( 5.001 -2.048 0.000) 5.404 14.726 ( -16.273 -3.081 0.000) 16.562 14.904 ( -34.707 -11.206 0.000) 36.471 16.900 ( -16.040 7.930 0.000) 17.893 17.245 ( -10.592 -6.364 0.000) 12.357 18.141 ( -12.722 10.083 0.000) 16.233 19.046 ( -11.750 7.392 0.000) 13.882 ======================= Grid point 5 (6/219) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( 9.623 -5.872 0.000) 11.273 3.384 ( 8.797 -4.114 0.000) 9.712 3.668 ( -3.573 4.461 0.000) 5.715 3.882 ( 2.903 9.465 0.000) 9.901 4.972 ( 16.152 1.500 0.000) 16.221 5.048 ( 28.009 -3.079 0.000) 28.177 5.449 ( 16.733 5.741 0.000) 17.691 5.794 ( -0.567 7.454 0.000) 7.476 6.344 ( 10.569 -8.448 0.000) 13.531 6.415 ( 3.233 0.686 0.000) 3.305 7.147 ( 20.040 2.218 0.000) 20.162 7.330 ( 21.711 10.487 0.000) 24.111 7.380 ( 17.651 1.460 0.000) 17.711 8.266 ( 10.122 -15.327 0.000) 18.368 8.522 ( -5.639 7.913 0.000) 9.717 8.548 ( -3.454 2.063 0.000) 4.023 8.784 ( 13.654 -14.269 0.000) 19.749 8.898 ( 3.244 2.721 0.000) 4.234 9.301 ( 5.536 -5.669 0.000) 7.924 9.764 ( 16.056 -4.207 0.000) 16.598 10.074 ( 3.849 13.574 0.000) 14.109 10.230 ( 22.117 1.421 0.000) 22.163 10.522 ( 12.342 17.913 0.000) 21.753 10.619 ( 7.088 -4.103 0.000) 8.190 10.771 ( 6.179 4.661 0.000) 7.740 11.026 ( 5.825 5.977 0.000) 8.346 11.083 ( 11.622 1.007 0.000) 11.666 11.532 ( -4.334 10.911 0.000) 11.740 11.604 ( -6.296 -6.759 0.000) 9.237 12.106 ( 9.828 2.485 0.000) 10.137 12.110 ( -2.867 4.437 0.000) 5.283 12.309 ( -2.407 -4.647 0.000) 5.233 12.575 ( -7.875 1.123 0.000) 7.955 13.063 ( 9.716 -3.722 0.000) 10.404 13.493 ( 0.718 2.216 0.000) 2.330 13.730 ( 3.686 -1.809 0.000) 4.105 14.228 ( -36.325 -10.379 0.000) 37.779 14.474 ( -13.715 -2.052 0.000) 13.867 16.549 ( -14.744 6.811 0.000) 16.241 17.093 ( -8.719 -7.266 0.000) 11.350 17.796 ( -15.553 10.963 0.000) 19.028 18.736 ( -14.693 8.618 0.000) 17.034 ======================= Grid point 6 (7/219) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( 4.914 -5.536 0.000) 7.403 3.518 ( 3.775 -2.848 0.000) 4.729 3.580 ( -2.617 4.379 0.000) 5.102 3.838 ( -1.157 9.718 0.000) 9.787 5.284 ( 16.380 2.309 0.000) 16.542 5.550 ( 19.374 -0.299 0.000) 19.376 5.688 ( 10.494 3.131 0.000) 10.951 5.748 ( 1.072 7.481 0.000) 7.557 6.494 ( 5.769 -3.844 0.000) 6.933 6.517 ( 2.775 -4.786 0.000) 5.532 7.419 ( 10.214 1.836 0.000) 10.377 7.561 ( 2.287 6.156 0.000) 6.567 7.672 ( 15.051 6.773 0.000) 16.505 8.190 ( -10.194 -5.582 0.000) 11.623 8.443 ( 1.922 1.992 0.000) 2.769 8.664 ( 6.040 -4.432 0.000) 7.492 8.685 ( -16.726 -9.526 0.000) 19.248 9.052 ( 10.358 0.101 0.000) 10.358 9.762 ( 22.012 -9.071 0.000) 23.808 9.975 ( -0.922 14.596 0.000) 14.625 10.133 ( 13.910 -5.678 0.000) 15.024 10.601 ( 11.969 4.331 0.000) 12.729 10.602 ( 7.265 19.885 0.000) 21.170 10.815 ( 11.490 -5.464 0.000) 12.723 10.847 ( 4.851 3.835 0.000) 6.184 11.026 ( 0.321 2.852 0.000) 2.870 11.261 ( 4.010 -2.793 0.000) 4.887 11.400 ( -4.323 9.499 0.000) 10.437 11.692 ( 11.358 -3.472 0.000) 11.877 12.091 ( 4.871 11.546 0.000) 12.532 12.189 ( 0.983 3.779 0.000) 3.905 12.381 ( 2.989 -14.392 0.000) 14.699 12.451 ( -3.283 -0.398 0.000) 3.308 13.289 ( 11.045 -0.657 0.000) 11.065 13.476 ( -0.889 2.809 0.000) 2.947 13.612 ( -30.596 -11.326 0.000) 32.625 13.802 ( 2.627 -1.583 0.000) 3.067 14.252 ( -8.810 1.633 0.000) 8.960 16.252 ( -11.423 4.764 0.000) 12.376 16.993 ( -5.633 -6.829 0.000) 8.852 17.414 ( -16.224 9.570 0.000) 18.836 18.379 ( -15.742 8.211 0.000) 17.755 ======================= Grid point 7 (8/219) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( 2.494 -5.631 0.000) 6.159 3.511 ( -1.623 4.807 0.000) 5.073 3.594 ( 1.963 -4.580 0.000) 4.983 3.745 ( -1.902 9.253 0.000) 9.446 5.571 ( 12.934 0.347 0.000) 12.938 5.716 ( 1.289 1.528 0.000) 2.000 5.800 ( 5.132 4.086 0.000) 6.559 5.819 ( 3.984 1.994 0.000) 4.455 6.526 ( -2.522 -0.914 0.000) 2.683 6.720 ( 13.059 -3.887 0.000) 13.625 7.465 ( -5.896 5.115 0.000) 7.806 7.530 ( 1.709 1.511 0.000) 2.281 7.790 ( 2.763 2.549 0.000) 3.760 8.169 ( 2.953 -4.617 0.000) 5.481 8.416 ( -13.526 -7.115 0.000) 15.283 8.529 ( 5.294 1.875 0.000) 5.616 8.747 ( 0.978 -1.939 0.000) 2.171 9.236 ( 7.022 -0.710 0.000) 7.058 9.832 ( -3.879 8.838 0.000) 9.651 10.135 ( 9.922 -12.169 0.000) 15.702 10.429 ( 10.160 -5.650 0.000) 11.626 10.568 ( 1.337 18.820 0.000) 18.867 10.717 ( 7.210 5.886 0.000) 9.308 10.920 ( 3.934 2.106 0.000) 4.462 11.005 ( 0.924 -3.311 0.000) 3.437 11.055 ( 4.261 2.209 0.000) 4.799 11.251 ( -5.380 5.715 0.000) 7.849 11.339 ( 3.396 -1.320 0.000) 3.643 11.890 ( 2.590 -3.089 0.000) 4.031 12.162 ( 9.871 11.492 0.000) 15.149 12.187 ( 3.086 2.217 0.000) 3.800 12.452 ( 2.398 0.055 0.000) 2.399 12.479 ( -5.256 -14.248 0.000) 15.187 13.193 ( -13.347 -7.464 0.000) 15.293 13.434 ( -1.442 1.909 0.000) 2.392 13.519 ( 7.940 -1.792 0.000) 8.139 13.852 ( 1.541 -0.885 0.000) 1.777 14.117 ( -3.146 3.477 0.000) 4.689 16.057 ( -5.840 2.280 0.000) 6.269 16.953 ( -2.094 -4.486 0.000) 4.951 17.077 ( -12.009 5.877 0.000) 13.370 18.057 ( -11.402 5.442 0.000) 12.634 ======================= Grid point 8 (9/219) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.446 ( 0.000 -0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.653 ( 0.000 -0.000 0.000) 0.000 3.670 ( -0.000 0.000 0.000) 0.000 5.725 ( 0.000 -0.000 0.000) 0.000 5.735 ( 0.000 -0.000 0.000) 0.000 5.826 ( 0.000 -0.000 0.000) 0.000 5.826 ( 0.000 -0.000 0.000) 0.000 6.491 ( 0.000 -0.000 0.000) 0.000 6.905 ( 0.000 0.000 0.000) 0.000 7.364 ( 0.000 -0.000 0.000) 0.000 7.524 ( 0.000 -0.000 0.000) 0.000 7.817 ( 0.000 -0.000 0.000) 0.000 8.227 ( 0.000 -0.000 0.000) 0.000 8.290 ( 0.000 -0.000 0.000) 0.000 8.583 ( 0.000 -0.000 0.000) 0.000 8.756 ( 0.000 -0.000 0.000) 0.000 9.310 ( 0.000 -0.000 0.000) 0.000 9.764 ( 0.000 -0.000 0.000) 0.000 10.297 ( 0.000 -0.000 0.000) 0.000 10.487 ( 0.000 0.000 0.000) 0.000 10.543 ( 0.000 -0.000 0.000) 0.000 10.836 ( 0.000 -0.000 0.000) 0.000 10.956 ( 0.000 0.000 0.000) 0.000 10.957 ( 0.000 -0.000 0.000) 0.000 11.114 ( 0.000 -0.000 0.000) 0.000 11.154 ( -0.000 -0.000 0.000) 0.000 11.385 ( 0.000 -0.000 0.000) 0.000 11.894 ( 0.000 -0.000 0.000) 0.000 12.228 ( -0.000 -0.000 0.000) 0.000 12.309 ( 0.000 0.000 0.000) 0.000 12.368 ( -0.000 -0.000 0.000) 0.000 12.491 ( 0.000 -0.000 0.000) 0.000 13.110 ( 0.000 0.000 0.000) 0.000 13.412 ( 0.000 -0.000 0.000) 0.000 13.610 ( 0.000 -0.000 0.000) 0.000 13.870 ( 0.000 -0.000 0.000) 0.000 14.080 ( 0.000 -0.000 0.000) 0.000 15.995 ( 0.000 -0.000 0.000) 0.000 16.929 ( 0.000 -0.000 0.000) 0.000 16.950 ( 0.000 -0.000 0.000) 0.000 17.918 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 18 (10/219) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 36.460 -0.000 0.000) 36.460 1.559 ( 41.302 -0.000 0.000) 41.302 3.073 ( 64.630 -0.000 0.000) 64.630 3.531 ( 15.125 -0.000 0.000) 15.125 3.791 ( 20.685 -0.000 0.000) 20.685 3.798 ( 15.724 -0.000 0.000) 15.724 4.097 ( 2.536 -0.000 0.000) 2.536 5.098 ( 41.266 -0.000 0.000) 41.266 5.198 ( 39.876 -0.000 0.000) 39.876 5.223 ( 26.504 -0.000 0.000) 26.504 5.396 ( 38.115 -0.000 0.000) 38.115 5.863 ( 0.881 -0.000 0.000) 0.881 6.069 ( 12.194 -0.000 0.000) 12.194 6.948 ( 6.403 -0.000 0.000) 6.403 7.157 ( -2.825 0.000 0.000) 2.825 8.748 ( 52.138 -0.000 0.000) 52.138 8.825 ( -4.211 0.000 0.000) 4.211 8.849 ( -0.244 0.000 0.000) 0.244 9.197 ( -4.167 0.000 0.000) 4.167 9.460 ( 8.855 -0.000 0.000) 8.855 9.513 ( 2.887 -0.000 0.000) 2.887 9.710 ( 6.575 -0.000 0.000) 6.575 10.005 ( 10.358 -0.000 0.000) 10.358 10.371 ( 4.266 -0.000 0.000) 4.266 10.396 ( -8.838 0.000 0.000) 8.838 10.444 ( 2.111 -0.000 0.000) 2.111 11.185 ( -10.916 0.000 0.000) 10.916 11.237 ( 6.822 -0.000 0.000) 6.822 12.156 ( -3.072 0.000 0.000) 3.072 12.221 ( -9.787 0.000 0.000) 9.787 12.525 ( 2.122 -0.000 0.000) 2.122 12.717 ( -12.435 0.000 0.000) 12.435 12.755 ( 7.983 -0.000 0.000) 7.983 12.999 ( -9.097 0.000 0.000) 9.097 13.385 ( 2.014 -0.000 0.000) 2.014 13.510 ( -0.936 0.000 0.000) 0.936 15.290 ( -13.451 0.000 0.000) 13.451 15.853 ( -20.107 0.000 0.000) 20.107 17.567 ( -8.344 0.000 0.000) 8.344 17.617 ( -12.557 0.000 0.000) 12.557 18.609 ( -4.833 0.000 0.000) 4.833 19.513 ( -7.849 0.000 0.000) 7.849 ======================= Grid point 19 (11/219) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 30.303 -4.037 0.000) 30.570 2.351 ( 35.490 -5.851 0.000) 35.969 3.860 ( 10.096 7.016 0.000) 12.295 3.932 ( 12.408 5.915 0.000) 13.746 3.950 ( 10.883 -7.858 0.000) 13.424 4.204 ( 22.636 -1.418 0.000) 22.680 4.378 ( 34.519 -2.716 0.000) 34.626 5.669 ( 21.132 5.070 0.000) 21.732 5.880 ( 2.532 2.179 0.000) 3.340 6.014 ( 38.293 15.781 0.000) 41.417 6.052 ( 49.009 -2.715 0.000) 49.084 6.239 ( 38.258 -15.461 0.000) 41.264 6.397 ( 20.916 -0.480 0.000) 20.921 7.142 ( 13.160 -2.455 0.000) 13.388 7.206 ( 13.309 -1.860 0.000) 13.439 8.755 ( -1.382 4.862 0.000) 5.055 8.827 ( -0.258 4.002 0.000) 4.010 9.080 ( -8.045 -3.979 0.000) 8.976 9.514 ( 1.731 8.167 0.000) 8.348 9.536 ( 16.532 -4.781 0.000) 17.209 9.625 ( 6.519 -5.552 0.000) 8.563 9.914 ( 15.424 7.461 0.000) 17.134 10.251 ( 1.975 4.600 0.000) 5.007 10.252 ( 11.348 -0.598 0.000) 11.364 10.487 ( 8.407 2.213 0.000) 8.693 10.546 ( 8.455 -3.962 0.000) 9.338 11.008 ( -6.325 -0.035 0.000) 6.325 11.458 ( 15.044 -0.556 0.000) 15.054 12.001 ( -12.350 -1.360 0.000) 12.424 12.081 ( -3.385 5.376 0.000) 6.353 12.408 ( -13.463 4.507 0.000) 14.197 12.623 ( 2.731 -6.261 0.000) 6.831 12.785 ( -11.124 2.048 0.000) 11.311 12.829 ( -0.614 0.346 0.000) 0.705 13.462 ( 5.042 1.590 0.000) 5.287 13.506 ( 0.853 -2.144 0.000) 2.308 14.999 ( -15.771 -1.039 0.000) 15.805 15.385 ( -28.365 -4.037 0.000) 28.651 17.324 ( -15.890 2.683 0.000) 16.115 17.383 ( -10.540 -1.724 0.000) 10.680 18.470 ( -8.625 2.589 0.000) 9.005 19.337 ( -9.363 1.890 0.000) 9.552 ======================= Grid point 20 (12/219) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 20.139 -4.198 0.000) 20.572 2.978 ( 23.787 -5.407 0.000) 24.394 3.817 ( -4.003 3.265 0.000) 5.166 3.979 ( 2.514 8.054 0.000) 8.437 4.425 ( 27.341 -3.419 0.000) 27.553 4.611 ( 17.930 -3.699 0.000) 18.308 5.096 ( 31.607 2.328 0.000) 31.693 5.896 ( 0.837 3.056 0.000) 3.168 5.982 ( 12.725 -1.980 0.000) 12.878 6.394 ( 7.082 6.633 0.000) 9.703 6.768 ( 24.628 6.070 0.000) 25.366 6.911 ( 28.501 -2.885 0.000) 28.647 7.005 ( 35.997 5.801 0.000) 36.461 7.532 ( 22.537 -13.859 0.000) 26.458 7.874 ( 43.751 -7.965 0.000) 44.471 8.704 ( -0.409 8.316 0.000) 8.326 8.767 ( -3.438 5.504 0.000) 6.489 8.948 ( -8.562 -7.998 0.000) 11.717 9.439 ( -17.606 -3.623 0.000) 17.975 9.529 ( 5.537 5.024 0.000) 7.477 9.845 ( 13.662 -3.417 0.000) 14.082 10.158 ( 13.280 12.198 0.000) 18.032 10.406 ( 5.037 -5.644 0.000) 7.565 10.475 ( 16.783 7.745 0.000) 18.484 10.674 ( 11.223 3.482 0.000) 11.751 10.843 ( 17.753 0.922 0.000) 17.776 10.954 ( 1.670 0.111 0.000) 1.674 11.668 ( -6.816 -5.568 0.000) 8.801 11.890 ( 11.138 2.114 0.000) 11.337 11.910 ( -8.905 13.326 0.000) 16.028 12.166 ( -10.103 -7.047 0.000) 12.318 12.515 ( -10.193 6.264 0.000) 11.964 12.747 ( -6.599 0.782 0.000) 6.646 12.794 ( 8.001 -5.595 0.000) 9.764 13.499 ( 1.735 1.664 0.000) 2.404 13.606 ( 5.311 -2.041 0.000) 5.689 14.700 ( -15.479 -1.321 0.000) 15.535 14.795 ( -33.727 -6.594 0.000) 34.365 16.975 ( -16.906 4.335 0.000) 17.453 17.186 ( -10.560 -3.361 0.000) 11.082 18.234 ( -12.929 5.247 0.000) 13.953 19.114 ( -11.710 3.852 0.000) 12.327 ======================= Grid point 21 (13/219) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( 10.675 -3.651 0.000) 11.282 3.345 ( 11.413 -2.444 0.000) 11.672 3.714 ( -4.113 3.072 0.000) 5.133 3.973 ( 0.913 5.779 0.000) 5.850 4.973 ( 17.448 -0.930 0.000) 17.472 5.018 ( 29.883 -1.888 0.000) 29.943 5.548 ( 18.424 9.797 0.000) 20.867 5.874 ( -0.161 5.713 0.000) 5.715 6.234 ( 9.425 -9.274 0.000) 13.222 6.405 ( -1.535 -1.989 0.000) 2.513 7.170 ( 18.462 1.534 0.000) 18.526 7.424 ( 22.643 5.103 0.000) 23.211 7.473 ( 20.454 13.040 0.000) 24.258 8.066 ( 14.338 -17.418 0.000) 22.560 8.555 ( -1.947 -6.303 0.000) 6.597 8.583 ( -7.198 3.469 0.000) 7.990 8.677 ( 7.167 0.669 0.000) 7.198 8.923 ( 5.568 1.181 0.000) 5.692 9.235 ( 5.451 -5.085 0.000) 7.454 9.715 ( 13.653 -3.492 0.000) 14.092 10.177 ( 12.415 2.780 0.000) 12.722 10.279 ( 12.200 6.744 0.000) 13.940 10.581 ( 9.100 -2.135 0.000) 9.347 10.712 ( 13.394 12.896 0.000) 18.593 10.816 ( 5.220 2.846 0.000) 5.945 11.090 ( 5.401 4.546 0.000) 7.060 11.104 ( 11.968 2.765 0.000) 12.283 11.512 ( -6.802 -8.223 0.000) 10.672 11.666 ( -5.272 11.144 0.000) 12.328 12.079 ( -2.645 -7.615 0.000) 8.062 12.139 ( 10.698 2.709 0.000) 11.035 12.320 ( -5.770 4.300 0.000) 7.197 12.584 ( -8.923 0.421 0.000) 8.933 13.020 ( 11.789 -3.178 0.000) 12.210 13.525 ( 1.857 2.971 0.000) 3.504 13.704 ( 3.213 -2.537 0.000) 4.094 14.118 ( -36.683 -7.552 0.000) 37.453 14.455 ( -11.632 -1.176 0.000) 11.691 16.621 ( -15.687 5.013 0.000) 16.468 17.021 ( -8.334 -4.704 0.000) 9.570 17.903 ( -16.704 6.779 0.000) 18.028 18.822 ( -15.124 5.474 0.000) 16.084 ======================= Grid point 22 (14/219) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 5.206 -3.876 0.000) 6.490 3.497 ( 4.115 -0.898 0.000) 4.212 3.627 ( -2.740 3.310 0.000) 4.297 3.933 ( -1.577 6.012 0.000) 6.215 5.306 ( 16.094 1.191 0.000) 16.138 5.546 ( 19.741 -0.241 0.000) 19.743 5.762 ( 10.378 9.198 0.000) 13.867 5.845 ( 2.580 8.405 0.000) 8.792 6.426 ( 2.701 -7.094 0.000) 7.591 6.430 ( 3.790 -9.411 0.000) 10.145 7.455 ( 11.764 3.991 0.000) 12.423 7.666 ( 4.931 11.030 0.000) 12.082 7.742 ( 11.956 4.666 0.000) 12.834 8.113 ( -10.482 -7.015 0.000) 12.612 8.405 ( -7.781 -9.170 0.000) 12.026 8.579 ( 3.279 -7.826 0.000) 8.485 8.617 ( -7.740 -0.808 0.000) 7.782 9.102 ( 13.186 6.597 0.000) 14.744 9.654 ( 19.591 -8.240 0.000) 21.253 10.053 ( 15.970 -5.014 0.000) 16.738 10.144 ( -4.341 10.952 0.000) 11.781 10.653 ( 16.247 2.673 0.000) 16.466 10.752 ( 8.764 -3.245 0.000) 9.346 10.835 ( 8.012 17.326 0.000) 19.089 10.892 ( 4.560 4.460 0.000) 6.379 11.048 ( -2.308 0.875 0.000) 2.468 11.231 ( 2.830 -2.131 0.000) 3.542 11.531 ( -4.151 12.130 0.000) 12.821 11.633 ( 11.860 -6.176 0.000) 13.372 12.196 ( 8.125 -7.625 0.000) 11.143 12.235 ( -0.550 3.442 0.000) 3.486 12.240 ( 1.306 4.512 0.000) 4.697 12.437 ( -4.362 -1.826 0.000) 4.729 13.278 ( 12.289 -1.485 0.000) 12.378 13.478 ( -31.763 -10.279 0.000) 33.385 13.520 ( -0.182 4.532 0.000) 4.536 13.773 ( 2.167 -3.315 0.000) 3.960 14.268 ( -7.366 0.962 0.000) 7.429 16.312 ( -12.213 4.927 0.000) 13.169 16.922 ( -4.454 -4.921 0.000) 6.638 17.510 ( -18.433 6.393 0.000) 19.511 18.464 ( -17.056 5.878 0.000) 18.040 ======================= Grid point 23 (15/219) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( 2.662 -4.515 0.000) 5.242 3.552 ( 1.129 -2.330 0.000) 2.589 3.565 ( -1.432 3.985 0.000) 4.234 3.848 ( -2.497 7.600 0.000) 8.000 5.579 ( 11.728 0.642 0.000) 11.746 5.718 ( 1.018 -0.671 0.000) 1.219 5.865 ( 4.331 5.872 0.000) 7.296 5.885 ( 3.975 9.317 0.000) 10.129 6.486 ( -2.165 -5.660 0.000) 6.060 6.639 ( 12.039 -9.228 0.000) 15.169 7.544 ( -7.778 7.516 0.000) 10.816 7.570 ( 2.024 5.015 0.000) 5.408 7.808 ( -0.727 0.432 0.000) 0.846 8.099 ( 4.419 -7.078 0.000) 8.344 8.323 ( -7.152 -7.589 0.000) 10.428 8.571 ( 3.828 4.238 0.000) 5.711 8.657 ( -1.287 -10.619 0.000) 10.697 9.307 ( 11.631 10.572 0.000) 15.718 9.938 ( -8.543 8.211 0.000) 11.849 9.967 ( 6.222 -14.345 0.000) 15.636 10.356 ( 10.244 -6.133 0.000) 11.940 10.791 ( 7.161 6.474 0.000) 9.653 10.798 ( -0.643 17.750 0.000) 17.761 10.947 ( 3.017 2.294 0.000) 3.791 10.956 ( 2.540 -4.692 0.000) 5.336 11.071 ( 3.642 0.258 0.000) 3.652 11.338 ( 6.627 1.551 0.000) 6.806 11.349 ( -6.562 10.468 0.000) 12.355 11.845 ( 3.494 -4.555 0.000) 5.741 12.211 ( 0.921 1.760 0.000) 1.986 12.261 ( 2.420 -5.313 0.000) 5.839 12.342 ( 1.829 1.933 0.000) 2.661 12.442 ( 1.903 -1.665 0.000) 2.529 13.090 ( -11.014 -9.829 0.000) 14.762 13.472 ( -1.476 4.359 0.000) 4.602 13.497 ( 8.243 -1.679 0.000) 8.412 13.827 ( 1.269 -3.140 0.000) 3.386 14.151 ( -3.723 2.220 0.000) 4.334 16.098 ( -6.385 4.164 0.000) 7.623 16.906 ( 0.099 -3.358 0.000) 3.360 17.134 ( -15.409 3.669 0.000) 15.840 18.115 ( -13.954 4.229 0.000) 14.580 ======================= Grid point 24 (16/219) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( 1.721 -4.873 0.000) 5.168 3.515 ( -1.141 4.944 0.000) 5.074 3.584 ( 0.054 -5.428 0.000) 5.428 3.754 ( -2.226 7.829 0.000) 8.139 5.712 ( -1.708 -1.624 0.000) 2.357 5.733 ( 1.910 -0.298 0.000) 1.933 5.846 ( -2.469 3.209 0.000) 4.049 5.861 ( -0.900 5.265 0.000) 5.341 6.467 ( -1.063 -3.810 0.000) 3.956 6.855 ( 0.587 -7.867 0.000) 7.889 7.383 ( -2.891 2.794 0.000) 4.021 7.543 ( -0.010 2.918 0.000) 2.918 7.806 ( -1.567 -1.946 0.000) 2.499 8.211 ( 2.271 -2.680 0.000) 3.513 8.297 ( 4.190 1.119 0.000) 4.337 8.606 ( 0.769 3.859 0.000) 3.935 8.677 ( -2.441 -10.674 0.000) 10.950 9.394 ( 3.565 11.772 0.000) 12.300 9.777 ( -3.982 2.087 0.000) 4.495 10.123 ( -0.286 -19.746 0.000) 19.748 10.518 ( 3.164 -3.815 0.000) 4.956 10.635 ( -5.128 15.235 0.000) 16.075 10.819 ( -7.738 -2.206 0.000) 8.046 10.961 ( -0.954 0.887 0.000) 1.303 10.986 ( 5.491 3.636 0.000) 6.586 11.112 ( -1.685 -0.203 0.000) 1.697 11.185 ( -2.627 5.102 0.000) 5.738 11.403 ( 0.734 3.038 0.000) 3.125 11.889 ( 2.124 -0.884 0.000) 2.300 12.189 ( -13.020 -12.615 0.000) 18.129 12.228 ( -0.779 -0.051 0.000) 0.781 12.465 ( 14.050 8.915 0.000) 16.640 12.474 ( -1.140 -2.710 0.000) 2.940 13.105 ( 5.363 -0.690 0.000) 5.408 13.429 ( -0.423 2.760 0.000) 2.792 13.601 ( 0.961 -1.414 0.000) 1.709 13.855 ( -0.157 -2.367 0.000) 2.373 14.078 ( -3.257 -0.293 0.000) 3.271 16.013 ( -0.250 2.936 0.000) 2.946 16.918 ( -4.421 -1.659 0.000) 4.722 16.952 ( 3.181 0.396 0.000) 3.206 17.916 ( -3.773 -0.231 0.000) 3.780 ======================= Grid point 25 (17/219) ======================= q-point: (-0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( -1.280 1.862 0.000) 2.259 3.453 ( 0.936 -0.844 0.000) 1.260 3.629 ( 0.174 -8.360 0.000) 8.362 3.665 ( -2.453 5.828 0.000) 6.324 5.576 ( -13.725 1.350 0.000) 13.791 5.680 ( -2.639 -3.494 0.000) 4.379 5.787 ( -5.889 0.978 0.000) 5.970 5.808 ( -3.306 -0.286 0.000) 3.319 6.508 ( 2.046 -3.790 0.000) 4.307 6.729 ( -12.748 -2.266 0.000) 12.948 7.428 ( 5.611 -1.173 0.000) 5.733 7.533 ( -1.339 1.889 0.000) 2.315 7.748 ( -5.735 -4.287 0.000) 7.160 8.212 ( -0.941 2.587 0.000) 2.753 8.446 ( 5.368 -1.695 0.000) 5.629 8.575 ( 4.712 9.069 0.000) 10.220 8.693 ( -2.477 -8.938 0.000) 9.275 9.320 ( -4.014 10.572 0.000) 11.308 9.742 ( -0.814 -5.268 0.000) 5.331 10.155 ( -9.520 -13.508 0.000) 16.526 10.453 ( -5.349 4.276 0.000) 6.848 10.487 ( -9.301 3.878 0.000) 10.077 10.650 ( -6.089 -5.323 0.000) 8.088 10.897 ( -5.382 -1.707 0.000) 5.646 11.024 ( -4.936 -2.435 0.000) 5.504 11.037 ( -1.350 2.089 0.000) 2.487 11.209 ( 3.360 -1.704 0.000) 3.768 11.365 ( -1.551 3.063 0.000) 3.433 11.921 ( -2.228 2.152 0.000) 3.097 12.023 ( -10.079 -11.407 0.000) 15.222 12.159 ( -4.860 -2.351 0.000) 5.398 12.439 ( -2.410 -2.243 0.000) 3.293 12.641 ( 6.770 12.557 0.000) 14.266 13.275 ( 15.340 6.416 0.000) 16.628 13.427 ( 1.100 0.604 0.000) 1.255 13.536 ( -7.305 0.785 0.000) 7.347 13.849 ( -1.557 -1.241 0.000) 1.991 14.067 ( 2.213 -4.828 0.000) 5.311 16.048 ( 5.130 0.915 0.000) 5.211 16.994 ( 8.242 -7.844 0.000) 11.379 17.012 ( 4.639 5.224 0.000) 6.986 17.987 ( 8.346 -6.116 0.000) 10.347 ======================= Grid point 26 (18/219) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.351 ( -4.424 6.578 0.000) 7.927 3.524 ( 2.523 -4.811 0.000) 5.433 3.567 ( -3.624 5.232 0.000) 6.364 3.704 ( 0.009 -12.248 0.000) 12.248 5.261 ( -17.175 -0.965 0.000) 17.202 5.554 ( -18.223 0.432 0.000) 18.228 5.667 ( -1.393 -6.021 0.000) 6.180 5.677 ( -9.824 0.634 0.000) 9.844 6.515 ( -8.139 -0.255 0.000) 8.143 6.539 ( -1.744 -1.308 0.000) 2.180 7.414 ( -9.395 0.932 0.000) 9.441 7.520 ( 0.784 -0.771 0.000) 1.099 7.589 ( -16.325 -6.522 0.000) 17.580 8.246 ( 8.452 3.691 0.000) 9.223 8.398 ( -4.832 -4.440 0.000) 6.562 8.659 ( -5.538 -4.463 0.000) 7.112 8.807 ( 18.034 10.119 0.000) 20.679 9.115 ( -10.151 9.290 0.000) 13.760 9.795 ( -0.867 -14.425 0.000) 14.451 9.848 ( -22.990 3.593 0.000) 23.269 10.200 ( -14.284 5.230 0.000) 15.211 10.386 ( -6.943 -14.355 0.000) 15.946 10.556 ( -11.064 -3.385 0.000) 11.570 10.797 ( -6.083 -4.459 0.000) 7.542 10.868 ( -10.196 3.078 0.000) 10.651 10.986 ( -2.330 -3.228 0.000) 3.981 11.297 ( -5.596 3.352 0.000) 6.523 11.305 ( 3.324 -6.467 0.000) 7.271 11.717 ( -11.106 0.682 0.000) 11.127 11.949 ( -4.418 -11.883 0.000) 12.678 12.152 ( -0.230 -2.369 0.000) 2.380 12.447 ( 2.704 -1.009 0.000) 2.886 12.555 ( -4.383 14.623 0.000) 15.266 13.296 ( -10.510 0.543 0.000) 10.524 13.453 ( 1.134 -0.953 0.000) 1.481 13.738 ( 30.810 9.290 0.000) 32.180 13.811 ( -2.626 -0.027 0.000) 2.626 14.228 ( 11.058 -2.320 0.000) 11.298 16.206 ( 10.149 -2.530 0.000) 10.460 17.084 ( 7.032 8.209 0.000) 10.809 17.282 ( 13.585 -12.293 0.000) 18.321 18.269 ( 14.058 -9.868 0.000) 17.176 ======================= Grid point 27 (19/219) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -8.285 7.623 0.000) 11.258 3.443 ( -6.352 5.591 0.000) 8.462 3.610 ( 3.078 -5.146 0.000) 5.996 3.748 ( -4.115 -12.736 0.000) 13.385 4.939 ( -16.210 -3.308 0.000) 16.544 5.092 ( -25.565 4.109 0.000) 25.893 5.418 ( -16.094 0.208 0.000) 16.096 5.698 ( 0.021 -8.271 0.000) 8.271 6.386 ( -8.277 -3.987 0.000) 9.187 6.423 ( -9.484 3.970 0.000) 10.281 7.115 ( -27.304 -3.022 0.000) 27.471 7.234 ( -15.775 -4.784 0.000) 16.485 7.396 ( -12.185 3.966 0.000) 12.814 8.414 ( -2.093 8.162 0.000) 8.427 8.417 ( 1.788 -9.134 0.000) 9.307 8.534 ( -0.665 -0.458 0.000) 0.807 8.875 ( -6.938 0.187 0.000) 6.940 8.960 ( -9.969 14.095 0.000) 17.265 9.367 ( -7.719 5.196 0.000) 9.305 9.786 ( -11.853 -4.488 0.000) 12.674 9.913 ( -12.009 -8.477 0.000) 14.700 10.217 ( -19.436 -1.370 0.000) 19.484 10.298 ( -12.405 -18.662 0.000) 22.409 10.675 ( -7.312 4.912 0.000) 8.809 10.702 ( -7.977 -6.830 0.000) 10.502 10.952 ( -6.212 -6.115 0.000) 8.716 11.072 ( -11.991 -1.052 0.000) 12.037 11.407 ( 2.645 -9.849 0.000) 10.198 11.674 ( 7.200 5.052 0.000) 8.796 12.004 ( 3.387 -11.362 0.000) 11.856 12.085 ( -8.275 -0.780 0.000) 8.312 12.407 ( -1.718 10.034 0.000) 10.180 12.556 ( 6.799 -1.972 0.000) 7.079 13.107 ( -6.962 3.466 0.000) 7.777 13.473 ( 0.132 -1.072 0.000) 1.080 13.746 ( -3.761 0.835 0.000) 3.853 14.353 ( 34.497 9.752 0.000) 35.849 14.507 ( 18.406 3.821 0.000) 18.799 16.466 ( 13.104 -6.566 0.000) 14.657 17.193 ( 9.251 9.192 0.000) 13.042 17.642 ( 14.082 -14.537 0.000) 20.239 18.617 ( 14.080 -11.072 0.000) 17.912 ======================= Grid point 28 (20/219) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( -14.883 10.472 0.000) 18.198 3.200 ( -14.571 11.581 0.000) 18.612 3.690 ( -8.871 -14.158 0.000) 16.708 3.699 ( 2.127 -5.759 0.000) 6.139 4.561 ( -23.172 7.337 0.000) 24.306 4.660 ( -14.911 -2.356 0.000) 15.096 5.036 ( -23.168 -0.540 0.000) 23.174 5.754 ( 0.091 -8.652 0.000) 8.652 6.107 ( -20.181 9.020 0.000) 22.105 6.143 ( -23.471 -11.839 0.000) 26.287 6.495 ( -35.313 -13.985 0.000) 37.982 6.967 ( -14.996 1.558 0.000) 15.076 7.074 ( -14.177 10.123 0.000) 17.420 7.909 ( -31.339 15.026 0.000) 34.755 8.116 ( -43.559 7.672 0.000) 44.230 8.583 ( -0.558 -1.025 0.000) 1.167 8.623 ( 2.708 -2.474 0.000) 3.668 8.988 ( 11.878 -6.437 0.000) 13.510 9.431 ( -18.832 -1.509 0.000) 18.893 9.533 ( 14.790 2.741 0.000) 15.042 9.777 ( -12.225 -15.665 0.000) 19.871 9.955 ( -8.652 1.997 0.000) 8.880 10.121 ( -16.867 -19.497 0.000) 25.780 10.492 ( -10.029 2.077 0.000) 10.242 10.546 ( -11.321 -7.604 0.000) 13.638 10.790 ( -10.811 -3.413 0.000) 11.337 10.965 ( 0.413 0.638 0.000) 0.760 11.556 ( 4.780 -15.008 0.000) 15.751 11.832 ( -16.318 1.823 0.000) 16.419 11.856 ( 13.103 5.580 0.000) 14.242 12.199 ( 8.280 -9.608 0.000) 12.684 12.373 ( 1.772 1.783 0.000) 2.514 12.706 ( 6.204 -2.709 0.000) 6.770 12.988 ( -0.920 9.381 0.000) 9.426 13.471 ( -0.863 -0.339 0.000) 0.927 13.653 ( -4.781 1.399 0.000) 4.981 14.773 ( 17.156 4.568 0.000) 17.754 15.055 ( 36.357 13.674 0.000) 38.843 16.790 ( 14.438 -10.046 0.000) 17.589 17.337 ( 10.689 8.792 0.000) 13.840 17.994 ( 12.571 -14.191 0.000) 18.958 18.939 ( 11.802 -10.354 0.000) 15.700 ======================= Grid point 29 (21/219) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -22.766 16.080 0.000) 27.872 2.707 ( -24.882 20.725 0.000) 32.382 3.611 ( -8.663 -17.285 0.000) 19.335 3.719 ( -5.249 -4.800 0.000) 7.113 4.149 ( -12.362 8.543 0.000) 15.026 4.296 ( -25.589 3.731 0.000) 25.859 4.484 ( -29.955 4.541 0.000) 30.298 5.463 ( -39.953 -6.803 0.000) 40.528 5.575 ( -41.201 -16.903 0.000) 44.534 5.793 ( -1.305 -7.274 0.000) 7.391 6.067 ( -16.148 -5.323 0.000) 17.003 6.498 ( -31.212 9.349 0.000) 32.583 6.606 ( -33.953 14.564 0.000) 36.945 7.270 ( -20.583 6.382 0.000) 21.550 7.321 ( -20.685 6.691 0.000) 21.741 8.597 ( 0.693 -4.687 0.000) 4.738 8.660 ( -5.084 -6.527 0.000) 8.273 9.149 ( -14.171 -11.807 0.000) 18.445 9.221 ( 6.058 -3.525 0.000) 7.008 9.633 ( -10.019 -10.700 0.000) 14.658 9.723 ( -5.059 5.167 0.000) 7.232 9.782 ( -6.766 5.268 0.000) 8.575 9.939 ( -3.012 -19.185 0.000) 19.420 10.226 ( -15.806 -2.691 0.000) 16.033 10.380 ( -8.749 -5.064 0.000) 10.109 10.668 ( -1.243 2.636 0.000) 2.915 11.020 ( 4.340 0.781 0.000) 4.410 11.484 ( -14.879 2.281 0.000) 15.053 11.754 ( 4.341 -18.728 0.000) 19.224 12.094 ( 13.618 5.730 0.000) 14.775 12.345 ( 3.546 -0.298 0.000) 3.559 12.498 ( 6.652 -13.732 0.000) 15.258 12.801 ( 0.991 -2.124 0.000) 2.344 12.965 ( 5.431 13.684 0.000) 14.722 13.433 ( -3.079 -0.293 0.000) 3.093 13.569 ( -1.850 2.333 0.000) 2.977 15.069 ( 15.585 4.565 0.000) 16.240 15.638 ( 30.469 15.284 0.000) 34.087 17.143 ( 14.159 -11.784 0.000) 18.422 17.501 ( 10.752 7.831 0.000) 13.302 18.297 ( 10.124 -11.261 0.000) 15.143 19.206 ( 9.583 -8.688 0.000) 12.935 ======================= Grid point 30 (22/219) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -26.955 23.647 0.000) 35.857 2.016 ( -28.276 30.570 0.000) 41.642 3.269 ( -50.762 12.455 0.000) 52.268 3.534 ( -12.365 0.515 0.000) 12.376 3.659 ( -14.854 -8.900 0.000) 17.316 3.899 ( -15.169 7.341 0.000) 16.852 4.007 ( -18.157 -3.097 0.000) 18.419 4.778 ( -34.546 -14.577 0.000) 37.496 4.863 ( -34.992 -17.608 0.000) 39.172 5.560 ( -34.758 15.507 0.000) 38.060 5.632 ( -39.375 7.849 0.000) 40.150 5.840 ( -6.223 -0.212 0.000) 6.226 6.025 ( -8.677 -4.906 0.000) 9.968 7.002 ( -6.889 3.160 0.000) 7.579 7.168 ( 0.621 1.384 0.000) 1.517 8.389 ( -30.415 -10.280 0.000) 32.106 8.657 ( -0.034 -9.194 0.000) 9.194 8.955 ( -20.142 -30.698 0.000) 36.716 9.230 ( -4.576 -1.203 0.000) 4.731 9.350 ( -14.362 17.675 0.000) 22.774 9.516 ( -8.001 -2.921 0.000) 8.518 9.622 ( -5.404 4.709 0.000) 7.168 10.005 ( -5.927 -0.278 0.000) 5.934 10.171 ( 8.394 -14.672 0.000) 16.904 10.285 ( -4.013 -6.187 0.000) 7.375 10.693 ( 6.794 7.497 0.000) 10.118 11.082 ( 0.132 -4.450 0.000) 4.452 11.317 ( 0.704 3.718 0.000) 3.784 11.930 ( 1.987 -18.089 0.000) 18.197 12.300 ( 10.230 5.503 0.000) 11.616 12.414 ( 3.158 -1.757 0.000) 3.614 12.725 ( 6.925 -15.719 0.000) 17.177 12.747 ( -7.084 -0.843 0.000) 7.134 13.015 ( 7.037 13.097 0.000) 14.868 13.388 ( -0.847 0.210 0.000) 0.873 13.546 ( 0.468 2.513 0.000) 2.556 15.324 ( 12.194 2.541 0.000) 12.456 16.046 ( 19.429 14.522 0.000) 24.256 17.468 ( 11.078 -11.515 0.000) 15.978 17.653 ( 8.709 6.888 0.000) 11.104 18.527 ( 7.976 -6.324 0.000) 10.179 19.425 ( 7.766 -7.069 0.000) 10.502 ======================= Grid point 31 (23/219) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -24.111 34.439 0.000) 42.040 1.267 ( -26.044 39.174 0.000) 47.042 1.924 ( -62.698 33.174 0.000) 70.934 3.210 ( -27.096 -1.444 0.000) 27.134 3.428 ( -13.192 -0.105 0.000) 13.192 3.433 ( -12.123 9.812 0.000) 15.596 3.878 ( -3.377 -18.760 0.000) 19.061 4.297 ( -22.047 -12.372 0.000) 25.281 4.570 ( -7.780 -10.990 0.000) 13.465 4.863 ( -26.972 5.415 0.000) 27.510 4.864 ( -25.113 8.048 0.000) 26.371 5.826 ( -0.473 -3.023 0.000) 3.060 5.971 ( 1.798 3.636 0.000) 4.056 6.898 ( -2.308 3.161 0.000) 3.914 7.206 ( 2.016 -0.708 0.000) 2.136 7.674 ( -38.116 -3.647 0.000) 38.290 8.409 ( -52.676 -51.556 0.000) 73.708 8.874 ( 0.131 -18.185 0.000) 18.185 9.083 ( -2.364 20.665 0.000) 20.799 9.150 ( -4.548 -3.082 0.000) 5.494 9.329 ( -8.335 1.415 0.000) 8.454 9.550 ( -1.277 2.129 0.000) 2.482 9.948 ( 0.085 6.260 0.000) 6.260 10.258 ( -1.383 -5.253 0.000) 5.432 10.396 ( 4.027 -13.725 0.000) 14.303 10.867 ( 18.535 13.821 0.000) 23.120 11.107 ( -0.144 -5.565 0.000) 5.567 11.401 ( 6.705 0.035 0.000) 6.706 12.042 ( -1.563 -16.788 0.000) 16.861 12.420 ( 4.943 4.496 0.000) 6.682 12.481 ( 2.502 -0.605 0.000) 2.574 12.576 ( -8.467 1.680 0.000) 8.632 12.941 ( 5.261 -13.245 0.000) 14.252 13.061 ( 3.897 7.739 0.000) 8.665 13.387 ( 0.610 1.242 0.000) 1.383 13.545 ( 0.638 1.818 0.000) 1.926 15.506 ( 6.704 0.055 0.000) 6.704 16.210 ( 3.732 9.027 0.000) 9.768 17.688 ( 3.830 -10.215 0.000) 10.909 17.750 ( 4.779 5.782 0.000) 7.501 18.700 ( 8.181 -0.052 0.000) 8.182 19.591 ( 4.837 -5.654 0.000) 7.441 ======================= Grid point 32 (24/219) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 0.000 41.302 0.000) 41.302 0.590 ( 0.000 48.695 0.000) 48.695 0.860 ( 0.000 71.080 0.000) 71.080 2.845 ( 0.000 0.237 0.000) 0.237 3.274 ( 0.000 0.874 0.000) 0.874 3.309 ( 0.000 6.512 0.000) 6.512 3.987 ( -0.000 -16.462 0.000) 16.462 4.041 ( -0.000 -3.969 0.000) 3.969 4.468 ( 0.000 1.183 0.000) 1.183 4.548 ( 0.000 2.098 0.000) 2.098 4.658 ( -0.000 -5.688 0.000) 5.688 5.838 ( -0.000 -2.126 0.000) 2.126 6.157 ( 0.000 1.233 0.000) 1.233 6.898 ( -0.000 -0.329 0.000) 0.329 7.097 ( 0.000 3.392 0.000) 3.392 7.177 ( 0.000 4.236 0.000) 4.236 7.306 ( -0.000 -5.114 0.000) 5.114 8.956 ( 0.000 15.871 0.000) 15.871 9.021 ( -0.000 -16.767 0.000) 16.767 9.082 ( -0.000 -0.440 0.000) 0.440 9.242 ( 0.000 0.057 0.000) 0.057 9.515 ( 0.000 5.924 0.000) 5.924 9.907 ( 0.000 6.630 0.000) 6.630 10.273 ( -0.000 -4.020 0.000) 4.020 10.505 ( -0.000 -9.616 0.000) 9.616 11.134 ( -0.000 -3.374 0.000) 3.374 11.228 ( -0.000 -3.135 0.000) 3.135 11.501 ( -0.000 -3.747 0.000) 3.747 12.056 ( -0.000 -11.197 0.000) 11.197 12.444 ( 0.000 0.582 0.000) 0.582 12.461 ( 0.000 5.887 0.000) 5.887 12.510 ( 0.000 0.541 0.000) 0.541 13.012 ( 0.000 6.751 0.000) 6.751 13.118 ( -0.000 -11.696 0.000) 11.696 13.386 ( 0.000 1.376 0.000) 1.376 13.544 ( 0.000 1.100 0.000) 1.100 15.574 ( -0.000 -1.057 0.000) 1.057 16.086 ( 0.000 10.638 0.000) 10.638 17.733 ( -0.000 -4.136 0.000) 4.136 17.767 ( 0.000 4.110 0.000) 4.110 18.848 ( -0.000 -1.545 0.000) 1.545 19.670 ( -0.000 -3.975 0.000) 3.975 ======================= Grid point 35 (25/219) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 20.957 -0.000 0.000) 20.957 2.945 ( 25.252 -0.000 0.000) 25.252 3.838 ( -4.708 0.000 0.000) 4.708 4.030 ( 0.687 -0.000 0.000) 0.687 4.404 ( 28.377 -0.000 0.000) 28.377 4.586 ( 18.994 -0.000 0.000) 18.994 5.111 ( 33.856 -0.000 0.000) 33.856 5.914 ( 1.161 -0.000 0.000) 1.161 5.971 ( 10.655 -0.000 0.000) 10.655 6.435 ( 1.515 -0.000 0.000) 1.515 6.802 ( 20.175 -0.000 0.000) 20.175 6.896 ( 33.727 -0.000 0.000) 33.727 7.058 ( 47.440 -0.000 0.000) 47.440 7.433 ( 15.948 -0.000 0.000) 15.948 7.823 ( 43.106 -0.000 0.000) 43.106 8.788 ( 3.361 -0.000 0.000) 3.361 8.802 ( -2.911 0.000 0.000) 2.911 8.864 ( -11.645 0.000 0.000) 11.645 9.415 ( -18.009 0.000 0.000) 18.009 9.564 ( 2.295 -0.000 0.000) 2.295 9.821 ( 15.158 -0.000 0.000) 15.158 10.258 ( 16.546 -0.000 0.000) 16.546 10.346 ( 1.181 -0.000 0.000) 1.181 10.520 ( 16.858 -0.000 0.000) 16.858 10.697 ( 10.949 -0.000 0.000) 10.949 10.848 ( 19.106 -0.000 0.000) 19.106 10.956 ( 2.410 -0.000 0.000) 2.410 11.632 ( -7.387 0.000 0.000) 7.387 11.904 ( 11.446 -0.000 0.000) 11.446 12.035 ( -3.566 0.000 0.000) 3.566 12.080 ( -17.379 0.000 0.000) 17.379 12.556 ( -11.586 0.000 0.000) 11.586 12.752 ( -6.644 0.000 0.000) 6.644 12.758 ( 10.007 -0.000 0.000) 10.007 13.512 ( 1.645 -0.000 0.000) 1.645 13.591 ( 5.630 -0.000 0.000) 5.630 14.693 ( -14.392 0.000 0.000) 14.392 14.753 ( -34.154 0.000 0.000) 34.154 17.001 ( -17.176 0.000 0.000) 17.176 17.166 ( -10.554 0.000 0.000) 10.554 18.266 ( -13.025 0.000 0.000) 13.025 19.138 ( -11.695 0.000 0.000) 11.695 ======================= Grid point 36 (26/219) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 11.263 -1.234 0.000) 11.330 3.325 ( 13.083 -0.802 0.000) 13.108 3.740 ( -4.480 1.103 0.000) 4.614 4.020 ( -0.700 1.944 0.000) 2.066 4.961 ( 18.624 -0.682 0.000) 18.637 5.003 ( 30.916 -0.635 0.000) 30.923 5.651 ( 21.724 5.668 0.000) 22.452 5.924 ( 0.653 2.312 0.000) 2.402 6.141 ( 6.278 -5.019 0.000) 8.037 6.381 ( -4.435 -1.368 0.000) 4.641 7.183 ( 18.530 0.545 0.000) 18.538 7.479 ( 25.781 3.005 0.000) 25.955 7.638 ( 15.159 13.765 0.000) 20.476 7.862 ( 19.379 -15.556 0.000) 24.850 8.465 ( 5.494 -5.007 0.000) 7.433 8.620 ( -10.806 1.989 0.000) 10.987 8.717 ( -3.728 2.631 0.000) 4.563 8.927 ( 10.165 -0.131 0.000) 10.166 9.188 ( 6.584 -2.283 0.000) 6.969 9.686 ( 11.197 -1.261 0.000) 11.267 10.186 ( 20.165 0.043 0.000) 20.165 10.342 ( 0.995 2.839 0.000) 3.008 10.568 ( 13.378 -0.334 0.000) 13.382 10.816 ( 14.603 4.210 0.000) 15.198 10.839 ( 4.583 0.999 0.000) 4.690 11.130 ( 5.148 1.757 0.000) 5.439 11.149 ( 15.182 3.746 0.000) 15.637 11.422 ( -10.351 -5.527 0.000) 11.735 11.790 ( -5.100 8.464 0.000) 9.882 11.977 ( -4.579 -7.682 0.000) 8.943 12.163 ( 11.104 1.155 0.000) 11.164 12.363 ( -6.257 2.110 0.000) 6.603 12.586 ( -9.637 0.072 0.000) 9.637 12.992 ( 12.859 -1.311 0.000) 12.926 13.557 ( 3.078 1.890 0.000) 3.612 13.675 ( 2.380 -1.698 0.000) 2.923 14.055 ( -36.805 -2.741 0.000) 36.907 14.445 ( -10.709 -0.396 0.000) 10.716 16.664 ( -16.083 1.836 0.000) 16.188 16.983 ( -8.129 -1.634 0.000) 8.291 17.957 ( -17.348 2.289 0.000) 17.498 18.866 ( -15.347 1.877 0.000) 15.461 ======================= Grid point 37 (27/219) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 5.349 -1.969 0.000) 5.700 3.492 ( 4.474 -0.003 0.000) 4.474 3.658 ( -2.852 1.784 0.000) 3.364 3.984 ( -1.653 2.622 0.000) 3.099 5.313 ( 16.372 0.157 0.000) 16.373 5.544 ( 19.728 -0.155 0.000) 19.729 5.897 ( 10.063 12.246 0.000) 15.851 5.943 ( 5.824 7.341 0.000) 9.371 6.301 ( 4.139 -11.368 0.000) 12.098 6.336 ( -1.080 -7.104 0.000) 7.186 7.504 ( 14.199 3.481 0.000) 14.619 7.786 ( 6.700 2.984 0.000) 7.334 7.815 ( 8.640 12.971 0.000) 15.585 8.027 ( -7.844 -6.802 0.000) 10.382 8.258 ( -14.647 -13.483 0.000) 19.908 8.505 ( -0.523 -4.103 0.000) 4.136 8.632 ( -3.155 1.842 0.000) 3.654 9.180 ( 16.048 5.424 0.000) 16.940 9.574 ( 17.617 -4.801 0.000) 18.260 9.995 ( 15.871 -3.973 0.000) 16.361 10.257 ( -5.149 7.112 0.000) 8.780 10.626 ( 18.402 -4.773 0.000) 19.011 10.775 ( 8.441 4.603 0.000) 9.614 10.911 ( 4.060 1.787 0.000) 4.435 11.044 ( 9.909 13.394 0.000) 16.661 11.048 ( -5.491 -0.706 0.000) 5.537 11.212 ( 0.372 -0.906 0.000) 0.980 11.550 ( 13.263 -7.083 0.000) 15.036 11.687 ( -3.556 13.551 0.000) 14.010 12.034 ( 1.699 -14.121 0.000) 14.223 12.293 ( 2.211 4.164 0.000) 4.715 12.328 ( 6.772 6.469 0.000) 9.365 12.409 ( -6.302 -2.718 0.000) 6.863 13.247 ( 7.563 -3.418 0.000) 8.299 13.386 ( -28.145 -4.503 0.000) 28.503 13.581 ( 0.980 5.433 0.000) 5.520 13.724 ( 1.177 -4.651 0.000) 4.798 14.276 ( -6.557 0.426 0.000) 6.571 16.362 ( -12.555 3.082 0.000) 12.927 16.877 ( -3.644 -2.584 0.000) 4.467 17.568 ( -19.933 3.154 0.000) 20.181 18.518 ( -17.897 3.065 0.000) 18.158 ======================= Grid point 38 (28/219) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 2.691 -2.880 0.000) 3.942 3.535 ( 0.281 -0.745 0.000) 0.796 3.605 ( -1.272 2.620 0.000) 2.913 3.923 ( -2.195 4.757 0.000) 5.239 5.584 ( 10.819 0.208 0.000) 10.821 5.708 ( 0.782 -0.731 0.000) 1.071 5.960 ( 3.468 9.659 0.000) 10.263 6.014 ( 3.171 11.884 0.000) 12.300 6.396 ( -0.906 -8.881 0.000) 8.927 6.508 ( 11.117 -12.272 0.000) 16.558 7.634 ( -12.447 6.850 0.000) 14.207 7.645 ( 1.874 7.174 0.000) 7.415 7.802 ( -3.719 -1.238 0.000) 3.919 8.002 ( 5.126 -8.875 0.000) 10.249 8.241 ( 0.748 -5.795 0.000) 5.843 8.539 ( -1.152 -7.908 0.000) 7.991 8.622 ( 3.877 3.895 0.000) 5.496 9.446 ( 14.566 11.178 0.000) 18.361 9.811 ( 2.822 -11.011 0.000) 11.367 10.019 ( -12.631 4.912 0.000) 13.553 10.288 ( 10.011 -4.936 0.000) 11.162 10.857 ( 2.826 1.955 0.000) 3.437 10.912 ( 7.824 0.159 0.000) 7.826 10.962 ( -1.333 6.503 0.000) 6.638 10.979 ( -0.710 5.332 0.000) 5.379 11.061 ( 3.762 -1.819 0.000) 4.179 11.386 ( 11.621 6.695 0.000) 13.412 11.493 ( -7.040 13.071 0.000) 14.846 11.778 ( 4.296 -6.463 0.000) 7.761 12.098 ( -3.756 -15.214 0.000) 15.670 12.228 ( -1.371 1.158 0.000) 1.794 12.417 ( 1.421 -2.116 0.000) 2.549 12.467 ( 7.069 12.528 0.000) 14.385 12.957 ( -8.684 -12.230 0.000) 15.000 13.482 ( 7.918 -0.896 0.000) 7.969 13.536 ( -1.434 6.066 0.000) 6.233 13.777 ( 0.980 -5.057 0.000) 5.151 14.171 ( -4.068 1.187 0.000) 4.238 16.148 ( -6.599 3.887 0.000) 7.659 16.873 ( 1.743 -2.051 0.000) 2.691 17.166 ( -18.080 1.782 0.000) 18.168 18.157 ( -15.798 2.667 0.000) 16.021 ======================= Grid point 39 (29/219) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( 1.811 -3.698 0.000) 4.117 3.531 ( -1.548 -3.408 0.000) 3.743 3.568 ( -0.753 3.796 0.000) 3.870 3.844 ( -2.236 6.824 0.000) 7.181 5.694 ( -2.209 -1.335 0.000) 2.581 5.727 ( 2.946 -0.621 0.000) 3.010 5.901 ( -4.910 5.737 0.000) 7.552 5.942 ( -3.198 7.769 0.000) 8.401 6.406 ( -1.233 -5.938 0.000) 6.065 6.736 ( 1.500 -11.127 0.000) 11.228 7.418 ( -4.706 2.741 0.000) 5.446 7.587 ( -0.599 4.068 0.000) 4.112 7.772 ( -3.353 -3.623 0.000) 4.936 8.166 ( 5.402 -4.481 0.000) 7.018 8.312 ( 5.993 1.101 0.000) 6.094 8.551 ( -2.272 -9.056 0.000) 9.337 8.673 ( 3.298 7.030 0.000) 7.765 9.545 ( 0.975 12.255 0.000) 12.293 9.808 ( -4.198 2.853 0.000) 5.076 9.887 ( -2.969 -18.637 0.000) 18.872 10.462 ( 4.864 -5.028 0.000) 6.996 10.789 ( -7.321 9.879 0.000) 12.296 10.791 ( -9.640 -2.373 0.000) 9.928 10.976 ( -1.769 1.489 0.000) 2.312 11.025 ( 5.300 2.718 0.000) 5.956 11.111 ( -0.638 0.005 0.000) 0.638 11.275 ( -6.791 9.474 0.000) 11.657 11.460 ( 0.221 6.390 0.000) 6.394 11.872 ( 4.780 -2.118 0.000) 5.228 12.032 ( -11.118 -13.182 0.000) 17.244 12.229 ( -0.852 0.356 0.000) 0.923 12.429 ( -2.661 -4.488 0.000) 5.217 12.559 ( 12.523 6.513 0.000) 14.115 13.093 ( 11.542 -1.247 0.000) 11.609 13.475 ( -1.027 4.756 0.000) 4.866 13.580 ( 1.302 -1.903 0.000) 2.306 13.815 ( -0.076 -4.216 0.000) 4.217 14.073 ( -6.027 -0.415 0.000) 6.042 16.059 ( -0.175 4.361 0.000) 4.364 16.892 ( -8.448 -2.586 0.000) 8.835 16.958 ( 5.918 0.563 0.000) 5.945 17.913 ( -7.021 -0.330 0.000) 7.029 ======================= Grid point 40 (30/219) ======================= q-point: (-0.56 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( 1.832 -4.274 0.000) 4.650 3.520 ( -1.567 5.267 0.000) 5.496 3.528 ( -1.909 -7.653 0.000) 7.887 3.751 ( -2.806 7.568 0.000) 8.072 5.605 ( -13.673 3.464 0.000) 14.105 5.646 ( -3.508 -2.202 0.000) 4.142 5.804 ( -3.313 -0.681 0.000) 3.382 5.808 ( -7.780 2.316 0.000) 8.117 6.445 ( 1.136 -6.167 0.000) 6.271 6.676 ( -10.510 -5.962 0.000) 12.083 7.431 ( 5.606 1.304 0.000) 5.755 7.567 ( -1.747 3.158 0.000) 3.609 7.691 ( -6.724 -4.972 0.000) 8.362 8.234 ( 1.181 1.269 0.000) 1.734 8.419 ( 0.767 -2.295 0.000) 2.420 8.575 ( -1.289 -9.683 0.000) 9.768 8.704 ( 9.086 11.814 0.000) 14.904 9.421 ( -6.267 4.422 0.000) 7.670 9.733 ( -3.459 4.424 0.000) 5.615 9.920 ( -6.975 -21.725 0.000) 22.818 10.518 ( -6.120 1.071 0.000) 6.213 10.562 ( -9.661 10.065 0.000) 13.951 10.590 ( -6.244 -4.407 0.000) 7.643 10.879 ( -7.371 -1.262 0.000) 7.478 11.000 ( -6.873 -1.448 0.000) 7.024 11.064 ( -2.259 2.398 0.000) 3.294 11.201 ( 1.047 0.298 0.000) 1.088 11.411 ( -0.485 4.444 0.000) 4.471 11.890 ( -9.499 -10.628 0.000) 14.254 11.943 ( -2.603 1.516 0.000) 3.012 12.132 ( -6.352 -2.054 0.000) 6.675 12.400 ( -1.532 -3.961 0.000) 4.247 12.776 ( 9.512 9.772 0.000) 13.637 13.350 ( 17.652 6.048 0.000) 18.659 13.446 ( 0.327 2.527 0.000) 2.548 13.538 ( -7.277 -0.139 0.000) 7.278 13.824 ( -1.167 -2.818 0.000) 3.050 14.002 ( 0.638 -5.949 0.000) 5.983 16.079 ( 4.662 3.977 0.000) 6.128 16.892 ( 4.410 -8.893 0.000) 9.926 17.076 ( 7.380 5.263 0.000) 9.064 17.913 ( 5.019 -5.978 0.000) 7.806 ======================= Grid point 41 (31/219) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.428 ( -3.228 5.094 0.000) 6.031 3.471 ( 1.954 -2.991 0.000) 3.573 3.552 ( -1.841 -12.396 0.000) 12.531 3.642 ( -3.802 6.982 0.000) 7.950 5.268 ( -17.638 2.183 0.000) 17.773 5.560 ( -15.499 0.455 0.000) 15.506 5.605 ( -4.119 -4.284 0.000) 5.944 5.688 ( -8.926 0.786 0.000) 8.960 6.490 ( -1.491 -6.349 0.000) 6.521 6.494 ( -9.291 -2.895 0.000) 9.732 7.427 ( -10.150 0.037 0.000) 10.150 7.533 ( -14.311 -1.676 0.000) 14.409 7.535 ( 3.817 2.756 0.000) 4.708 8.278 ( 6.096 1.632 0.000) 6.310 8.346 ( -6.576 -3.998 0.000) 7.696 8.586 ( -3.178 -6.788 0.000) 7.495 8.922 ( 16.661 8.907 0.000) 18.892 9.227 ( -10.821 7.391 0.000) 13.104 9.653 ( -4.431 -7.978 0.000) 9.126 9.802 ( -17.209 -11.416 0.000) 20.651 10.256 ( -13.777 4.015 0.000) 14.350 10.304 ( -11.966 1.031 0.000) 12.010 10.516 ( -11.468 -3.352 0.000) 11.948 10.741 ( -7.958 -4.941 0.000) 9.367 10.876 ( -6.687 -1.918 0.000) 6.957 10.968 ( -4.836 0.707 0.000) 4.887 11.242 ( 1.396 -4.116 0.000) 4.346 11.342 ( -8.369 4.068 0.000) 9.306 11.711 ( -10.055 -1.562 0.000) 10.175 11.810 ( -4.687 -11.035 0.000) 11.989 12.132 ( 0.811 -0.998 0.000) 1.286 12.428 ( 2.633 -1.964 0.000) 3.285 12.730 ( -4.808 14.366 0.000) 15.149 13.301 ( -11.125 0.119 0.000) 11.125 13.451 ( 0.857 0.524 0.000) 1.004 13.803 ( -2.171 -1.203 0.000) 2.482 13.831 ( 31.520 6.036 0.000) 32.093 14.198 ( 14.415 -2.716 0.000) 14.669 16.197 ( 8.716 1.090 0.000) 8.784 17.123 ( 10.744 -14.040 0.000) 17.679 17.188 ( 8.595 8.977 0.000) 12.429 18.145 ( 12.091 -10.656 0.000) 16.116 ======================= Grid point 42 (32/219) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.285 ( -6.812 8.458 0.000) 10.860 3.516 ( -5.081 6.464 0.000) 8.222 3.547 ( 2.716 -5.083 0.000) 5.763 3.581 ( -4.531 -14.674 0.000) 15.358 4.912 ( -17.284 -0.511 0.000) 17.292 5.145 ( -22.812 4.775 0.000) 23.307 5.436 ( -15.689 2.177 0.000) 15.839 5.598 ( -1.502 -8.393 0.000) 8.526 6.327 ( -11.820 -5.305 0.000) 12.956 6.424 ( -8.820 -4.015 0.000) 9.691 7.094 ( -30.251 0.401 0.000) 30.253 7.213 ( -10.791 0.762 0.000) 10.818 7.468 ( -7.709 7.651 0.000) 10.861 8.308 ( -1.127 -8.786 0.000) 8.858 8.445 ( 3.730 -2.687 0.000) 4.597 8.529 ( -0.931 -0.488 0.000) 1.051 8.922 ( -13.616 7.160 0.000) 15.384 9.109 ( -4.518 10.369 0.000) 11.311 9.422 ( -10.570 3.546 0.000) 11.149 9.636 ( -5.562 -15.182 0.000) 16.169 9.905 ( -22.615 2.301 0.000) 22.732 10.092 ( -14.678 -14.765 0.000) 20.820 10.193 ( -16.622 -2.545 0.000) 16.815 10.606 ( -10.997 -9.087 0.000) 14.266 10.730 ( -7.938 3.907 0.000) 8.847 10.886 ( -6.436 -4.493 0.000) 7.849 11.057 ( -12.236 -1.366 0.000) 12.312 11.298 ( 0.607 -8.247 0.000) 8.269 11.729 ( 8.767 4.146 0.000) 9.698 11.859 ( 2.901 -12.239 0.000) 12.578 12.087 ( -6.137 0.972 0.000) 6.214 12.528 ( 5.754 -2.684 0.000) 6.349 12.534 ( -5.168 10.837 0.000) 12.007 13.145 ( -3.789 2.887 0.000) 4.764 13.466 ( 0.617 -0.134 0.000) 0.631 13.751 ( -3.524 0.042 0.000) 3.524 14.445 ( 28.637 5.205 0.000) 29.107 14.573 ( 28.187 6.919 0.000) 29.024 16.401 ( 10.909 -3.902 0.000) 11.586 17.312 ( 9.916 10.513 0.000) 14.452 17.450 ( 12.434 -17.136 0.000) 21.172 18.474 ( 13.305 -12.676 0.000) 18.377 ======================= Grid point 43 (33/219) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -11.681 11.852 0.000) 16.641 3.336 ( -9.462 10.612 0.000) 14.218 3.518 ( -10.198 -14.122 0.000) 17.419 3.630 ( 2.000 -5.635 0.000) 5.980 4.611 ( -15.011 -4.642 0.000) 15.712 4.656 ( -21.379 8.432 0.000) 22.982 5.047 ( -22.338 1.999 0.000) 22.427 5.635 ( -1.111 -11.150 0.000) 11.205 6.011 ( -26.386 -9.821 0.000) 28.154 6.206 ( -13.443 1.457 0.000) 13.522 6.359 ( -43.295 -2.492 0.000) 43.367 6.993 ( -11.320 2.647 0.000) 11.626 7.208 ( -11.092 11.947 0.000) 16.303 8.071 ( -31.588 11.571 0.000) 33.641 8.155 ( -32.607 -1.267 0.000) 32.632 8.596 ( -1.600 3.059 0.000) 3.452 8.649 ( -8.114 6.802 0.000) 10.588 8.875 ( 8.832 -11.529 0.000) 14.524 9.406 ( -23.694 -4.248 0.000) 24.072 9.552 ( 11.629 0.220 0.000) 11.631 9.590 ( -7.915 -13.822 0.000) 15.928 9.879 ( -17.481 -20.262 0.000) 26.760 9.977 ( -7.618 1.351 0.000) 7.737 10.436 ( -10.775 -10.703 0.000) 15.187 10.512 ( -13.438 1.127 0.000) 13.486 10.747 ( -8.007 -3.417 0.000) 8.706 10.971 ( 1.289 0.230 0.000) 1.310 11.383 ( 1.687 -13.528 0.000) 13.633 11.854 ( -10.957 3.400 0.000) 11.472 11.939 ( 10.297 6.762 0.000) 12.319 12.050 ( 7.498 -13.546 0.000) 15.482 12.423 ( -1.533 5.288 0.000) 5.505 12.667 ( 5.726 -3.813 0.000) 6.879 13.102 ( 2.826 9.420 0.000) 9.835 13.472 ( -0.202 0.473 0.000) 0.514 13.665 ( -4.666 0.641 0.000) 4.710 14.836 ( 18.486 5.934 0.000) 19.415 15.221 ( 38.113 13.343 0.000) 40.381 16.669 ( 12.011 -9.714 0.000) 15.448 17.454 ( 10.880 10.609 0.000) 15.196 17.804 ( 12.581 -17.359 0.000) 21.439 18.801 ( 11.843 -12.554 0.000) 17.258 ======================= Grid point 44 (34/219) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -17.499 18.316 0.000) 25.332 2.961 ( -18.901 20.585 0.000) 27.946 3.405 ( -9.643 -16.211 0.000) 18.862 3.666 ( -2.553 -4.139 0.000) 4.863 4.254 ( -13.009 8.938 0.000) 15.784 4.312 ( -20.006 -1.536 0.000) 20.065 4.532 ( -28.422 3.252 0.000) 28.608 5.381 ( -41.746 -15.203 0.000) 44.428 5.427 ( -47.405 0.457 0.000) 47.407 5.691 ( -1.641 -9.514 0.000) 9.654 5.985 ( -11.037 -6.591 0.000) 12.855 6.623 ( -27.640 10.737 0.000) 29.652 6.780 ( -32.929 14.484 0.000) 35.974 7.343 ( -27.266 5.782 0.000) 27.872 7.402 ( -23.592 6.525 0.000) 24.477 8.563 ( -0.525 -1.006 0.000) 1.135 8.601 ( -5.435 -3.056 0.000) 6.235 8.953 ( -17.612 -16.708 0.000) 24.276 9.209 ( 4.191 -2.806 0.000) 5.043 9.504 ( -7.207 -10.238 0.000) 12.520 9.648 ( -17.453 -20.749 0.000) 27.113 9.780 ( 9.618 -4.000 0.000) 10.417 9.840 ( -4.795 4.052 0.000) 6.278 10.190 ( -17.802 -3.063 0.000) 18.064 10.322 ( -5.881 -4.634 0.000) 7.488 10.677 ( -0.358 -1.014 0.000) 1.075 11.028 ( 3.033 0.498 0.000) 3.074 11.523 ( 2.311 -19.051 0.000) 19.191 11.535 ( -13.147 6.654 0.000) 14.735 12.166 ( 13.520 6.074 0.000) 14.822 12.280 ( 6.790 -13.816 0.000) 15.394 12.396 ( 0.554 0.330 0.000) 0.645 12.768 ( 1.296 -3.419 0.000) 3.657 13.132 ( 7.033 14.034 0.000) 15.697 13.435 ( -3.076 0.593 0.000) 3.133 13.591 ( -1.471 1.406 0.000) 2.035 15.133 ( 15.283 6.174 0.000) 16.483 15.833 ( 31.938 16.751 0.000) 36.064 16.984 ( 12.353 -14.221 0.000) 18.837 17.609 ( 10.950 10.064 0.000) 14.873 18.143 ( 11.895 -14.213 0.000) 18.533 19.086 ( 9.827 -11.208 0.000) 14.906 ======================= Grid point 45 (35/219) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -19.918 27.506 0.000) 33.961 2.387 ( -22.873 29.970 0.000) 37.701 3.294 ( -17.339 -10.966 0.000) 20.516 3.544 ( -10.279 1.138 0.000) 10.342 3.682 ( -34.107 15.197 0.000) 37.340 3.985 ( -23.773 -0.974 0.000) 23.792 3.994 ( -14.081 8.196 0.000) 16.293 4.620 ( -35.057 -10.932 0.000) 36.722 4.654 ( -34.224 -17.051 0.000) 38.236 5.653 ( -18.832 -4.447 0.000) 19.350 5.730 ( -34.902 11.984 0.000) 36.902 5.884 ( -30.012 7.575 0.000) 30.954 5.950 ( -10.616 -6.439 0.000) 12.416 7.029 ( -7.267 1.077 0.000) 7.346 7.196 ( -1.215 3.534 0.000) 3.737 8.307 ( -27.571 -3.488 0.000) 27.791 8.542 ( -16.153 -12.750 0.000) 20.579 8.648 ( -12.921 -16.069 0.000) 20.620 9.221 ( -4.530 -0.784 0.000) 4.597 9.444 ( -9.919 -4.307 0.000) 10.814 9.461 ( -3.841 -5.948 0.000) 7.080 9.677 ( -9.928 3.949 0.000) 10.685 9.993 ( -1.688 -2.061 0.000) 2.664 9.999 ( 6.797 -13.720 0.000) 15.312 10.248 ( -2.261 2.034 0.000) 3.042 10.740 ( 6.706 0.609 0.000) 6.733 11.033 ( -2.784 -3.536 0.000) 4.501 11.375 ( 1.104 6.239 0.000) 6.336 11.686 ( 1.175 -21.791 0.000) 21.822 12.369 ( 10.175 5.863 0.000) 11.744 12.414 ( 3.686 1.241 0.000) 3.890 12.506 ( 4.104 -19.289 0.000) 19.721 12.732 ( -6.273 -1.775 0.000) 6.520 13.191 ( 7.291 15.406 0.000) 17.044 13.390 ( -0.590 -0.049 0.000) 0.592 13.577 ( 0.558 2.470 0.000) 2.532 15.361 ( 10.780 3.715 0.000) 11.402 16.242 ( 19.248 17.678 0.000) 26.134 17.306 ( 10.517 -15.351 0.000) 18.608 17.752 ( 9.070 9.510 0.000) 13.142 18.438 ( 11.041 -8.466 0.000) 13.913 19.323 ( 7.760 -9.772 0.000) 12.479 ======================= Grid point 46 (36/219) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -15.020 38.545 0.000) 41.368 1.696 ( -29.844 32.233 0.000) 43.928 2.424 ( -37.612 46.441 0.000) 59.761 3.200 ( -26.623 -0.279 0.000) 26.624 3.411 ( -7.880 -3.813 0.000) 8.754 3.559 ( -11.996 10.625 0.000) 16.025 3.648 ( -10.836 -16.615 0.000) 19.836 4.153 ( -20.115 -11.550 0.000) 23.196 4.431 ( -2.920 -11.996 0.000) 12.347 4.920 ( -32.066 4.078 0.000) 32.324 4.950 ( -30.477 6.507 0.000) 31.164 5.776 ( -0.883 -5.290 0.000) 5.363 5.971 ( 4.260 -4.449 0.000) 6.159 6.934 ( -2.257 2.420 0.000) 3.309 7.198 ( 1.431 -0.103 0.000) 1.435 7.664 ( -32.155 2.269 0.000) 32.235 7.947 ( -50.122 -25.407 0.000) 56.194 8.701 ( 2.307 -11.421 0.000) 11.652 9.125 ( -4.831 -1.542 0.000) 5.071 9.303 ( -2.638 12.105 0.000) 12.390 9.336 ( -8.482 -0.049 0.000) 8.483 9.553 ( -1.937 -1.496 0.000) 2.447 10.022 ( 2.888 5.146 0.000) 5.901 10.187 ( 0.557 -15.870 0.000) 15.880 10.226 ( 2.235 -2.079 0.000) 3.052 10.941 ( 13.867 0.502 0.000) 13.876 11.032 ( -0.231 -6.827 0.000) 6.830 11.416 ( 4.143 2.812 0.000) 5.008 11.810 ( -2.155 -21.312 0.000) 21.421 12.474 ( 2.722 4.185 0.000) 4.992 12.484 ( 3.539 0.798 0.000) 3.628 12.598 ( -4.998 1.902 0.000) 5.348 12.703 ( 2.758 -22.712 0.000) 22.879 13.216 ( 4.282 15.075 0.000) 15.671 13.399 ( 1.003 0.598 0.000) 1.167 13.573 ( 0.547 2.679 0.000) 2.734 15.509 ( 5.343 0.577 0.000) 5.374 16.364 ( 3.464 15.759 0.000) 16.135 17.552 ( 5.229 -12.645 0.000) 13.684 17.839 ( 5.066 8.894 0.000) 10.236 18.680 ( 9.854 -3.064 0.000) 10.319 19.504 ( 4.687 -8.676 0.000) 9.861 ======================= Grid point 47 (37/219) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 0.000 39.232 0.000) 39.232 1.165 ( 0.000 46.966 0.000) 46.966 1.699 ( 0.000 67.977 0.000) 67.977 2.849 ( 0.000 0.349 0.000) 0.349 3.290 ( 0.000 1.642 0.000) 1.642 3.413 ( 0.000 10.208 0.000) 10.208 3.727 ( -0.000 -25.144 0.000) 25.144 3.975 ( -0.000 -6.848 0.000) 6.848 4.488 ( 0.000 2.117 0.000) 2.117 4.563 ( -0.000 -9.805 0.000) 9.805 4.581 ( 0.000 3.141 0.000) 3.141 5.799 ( -0.000 -4.426 0.000) 4.426 6.137 ( -0.000 -5.747 0.000) 5.747 6.904 ( 0.000 1.521 0.000) 1.521 7.157 ( 0.000 6.495 0.000) 6.495 7.242 ( -0.000 -4.563 0.000) 4.563 7.251 ( 0.000 8.050 0.000) 8.050 8.818 ( -0.000 -15.662 0.000) 15.662 9.075 ( -0.000 -0.868 0.000) 0.868 9.183 ( 0.000 18.972 0.000) 18.972 9.243 ( 0.000 0.100 0.000) 0.100 9.546 ( -0.000 -0.353 0.000) 0.353 10.008 ( 0.000 8.760 0.000) 8.760 10.216 ( -0.000 -4.418 0.000) 4.418 10.343 ( -0.000 -16.315 0.000) 16.315 11.075 ( -0.000 -6.261 0.000) 6.261 11.174 ( -0.000 -5.781 0.000) 5.781 11.464 ( -0.000 -1.547 0.000) 1.547 11.877 ( -0.000 -17.918 0.000) 17.918 12.453 ( 0.000 0.936 0.000) 0.936 12.518 ( 0.000 0.870 0.000) 0.870 12.542 ( 0.000 6.910 0.000) 6.910 12.872 ( -0.000 -22.592 0.000) 22.592 13.172 ( 0.000 13.687 0.000) 13.687 13.404 ( 0.000 1.430 0.000) 1.430 13.564 ( 0.000 2.249 0.000) 2.249 15.561 ( -0.000 -0.907 0.000) 0.907 16.256 ( 0.000 16.881 0.000) 16.881 17.658 ( -0.000 -8.311 0.000) 8.311 17.839 ( 0.000 7.703 0.000) 7.703 18.821 ( -0.000 -2.882 0.000) 2.882 19.601 ( -0.000 -7.421 0.000) 7.421 ======================= Grid point 52 (38/219) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 5.390 -0.000 0.000) 5.390 3.493 ( 4.630 -0.000 0.000) 4.630 3.668 ( -2.898 0.000 0.000) 2.898 3.999 ( -1.656 0.000 0.000) 1.656 5.314 ( 16.555 -0.000 0.000) 16.555 5.543 ( 19.680 -0.000 0.000) 19.680 5.995 ( 8.821 -0.000 0.000) 8.821 6.000 ( 11.099 -0.000 0.000) 11.099 6.205 ( 3.028 -0.000 0.000) 3.028 6.285 ( -4.162 0.000 0.000) 4.162 7.527 ( 15.811 -0.000 0.000) 15.811 7.809 ( 2.577 -0.000 0.000) 2.577 7.925 ( 17.727 -0.000 0.000) 17.727 7.977 ( -5.062 0.000 0.000) 5.062 8.145 ( -23.800 0.000 0.000) 23.800 8.481 ( -2.321 0.000 0.000) 2.321 8.644 ( -2.578 0.000 0.000) 2.578 9.215 ( 17.247 -0.000 0.000) 17.247 9.544 ( 16.868 -0.000 0.000) 16.868 9.969 ( 15.781 -0.000 0.000) 15.781 10.303 ( -5.978 0.000 0.000) 5.978 10.590 ( 18.577 -0.000 0.000) 18.577 10.809 ( 10.267 -0.000 0.000) 10.267 10.922 ( 3.941 -0.000 0.000) 3.941 11.041 ( -7.544 0.000 0.000) 7.544 11.133 ( 13.993 -0.000 0.000) 13.993 11.210 ( -5.122 0.000 0.000) 5.122 11.496 ( 15.001 -0.000 0.000) 15.001 11.829 ( -6.921 0.000 0.000) 6.921 11.889 ( 4.638 -0.000 0.000) 4.638 12.326 ( 5.444 -0.000 0.000) 5.444 12.370 ( 8.334 -0.000 0.000) 8.334 12.385 ( -10.002 0.000 0.000) 10.002 13.220 ( 0.666 -0.000 0.000) 0.666 13.362 ( -22.184 0.000 0.000) 22.184 13.633 ( 3.414 -0.000 0.000) 3.414 13.677 ( -1.198 0.000 0.000) 1.198 14.278 ( -6.296 0.000 0.000) 6.296 16.381 ( -12.636 0.000 0.000) 12.636 16.861 ( -3.352 0.000 0.000) 3.352 17.586 ( -20.469 0.000 0.000) 20.469 18.537 ( -18.187 0.000 0.000) 18.187 ======================= Grid point 53 (39/219) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( 2.671 -0.985 0.000) 2.847 3.531 ( -0.265 -0.102 0.000) 0.284 3.626 ( -1.184 0.913 0.000) 1.495 3.961 ( -1.708 1.579 0.000) 2.326 5.585 ( 10.425 0.008 0.000) 10.425 5.702 ( 0.637 -0.289 0.000) 0.699 6.080 ( 1.309 8.807 0.000) 8.904 6.161 ( 0.454 11.611 0.000) 11.620 6.285 ( 1.287 -8.285 0.000) 8.384 6.356 ( 12.952 -11.819 0.000) 17.534 7.695 ( -17.903 2.910 0.000) 18.138 7.731 ( 1.551 6.140 0.000) 6.333 7.787 ( -7.191 -0.871 0.000) 7.243 7.900 ( 7.120 -6.898 0.000) 9.914 8.190 ( 7.812 -2.358 0.000) 8.160 8.476 ( -0.495 -2.574 0.000) 2.621 8.657 ( 4.585 1.667 0.000) 4.878 9.549 ( 16.744 4.988 0.000) 17.472 9.716 ( 0.487 -4.223 0.000) 4.251 10.053 ( -15.088 1.005 0.000) 15.122 10.247 ( 9.027 -1.679 0.000) 9.182 10.837 ( 3.336 -1.812 0.000) 3.796 10.966 ( 7.554 5.520 0.000) 9.356 10.987 ( 2.537 0.831 0.000) 2.670 11.027 ( 4.440 -3.846 0.000) 5.874 11.041 ( -7.017 2.359 0.000) 7.403 11.481 ( 16.308 7.052 0.000) 17.768 11.646 ( -7.720 10.491 0.000) 13.026 11.697 ( 3.040 -5.878 0.000) 6.618 11.929 ( -3.581 -11.134 0.000) 11.696 12.238 ( -3.070 0.427 0.000) 3.100 12.397 ( 1.304 -0.974 0.000) 1.627 12.620 ( 9.917 12.200 0.000) 15.722 12.805 ( -10.458 -12.274 0.000) 16.125 13.475 ( 7.550 -0.244 0.000) 7.554 13.611 ( -1.939 5.802 0.000) 6.117 13.711 ( 1.337 -5.410 0.000) 5.573 14.180 ( -4.233 0.367 0.000) 4.249 16.183 ( -6.598 1.578 0.000) 6.784 16.856 ( 2.631 -0.686 0.000) 2.719 17.179 ( -19.592 0.490 0.000) 19.598 18.179 ( -16.768 0.910 0.000) 16.793 ======================= Grid point 54 (40/219) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( 1.812 -1.983 0.000) 2.687 3.502 ( -2.822 -1.571 0.000) 3.230 3.604 ( -0.450 2.051 0.000) 2.100 3.911 ( -1.798 4.003 0.000) 4.388 5.682 ( -2.274 -0.708 0.000) 2.382 5.720 ( 3.146 -0.588 0.000) 3.201 5.974 ( -7.754 5.793 0.000) 9.679 6.036 ( -6.359 7.170 0.000) 9.584 6.334 ( 0.084 -5.488 0.000) 5.488 6.607 ( 3.499 -9.262 0.000) 9.900 7.444 ( -5.560 1.471 0.000) 5.751 7.631 ( -1.735 2.932 0.000) 3.407 7.727 ( -4.845 -3.308 0.000) 5.866 8.115 ( 8.880 -3.447 0.000) 9.526 8.322 ( 5.989 0.533 0.000) 6.013 8.472 ( -1.883 -4.213 0.000) 4.614 8.760 ( 6.978 6.634 0.000) 9.628 9.670 ( -8.248 7.881 0.000) 11.408 9.694 ( -5.949 -12.456 0.000) 13.804 9.837 ( 2.568 1.714 0.000) 3.088 10.407 ( 5.631 -3.696 0.000) 6.735 10.766 ( -9.697 -1.594 0.000) 9.827 10.871 ( -8.158 4.001 0.000) 9.086 10.993 ( -2.270 1.153 0.000) 2.546 11.051 ( 2.333 1.558 0.000) 2.805 11.110 ( 1.432 -0.100 0.000) 1.435 11.396 ( -10.461 9.758 0.000) 14.306 11.546 ( -3.029 7.037 0.000) 7.662 11.839 ( 8.833 -3.119 0.000) 9.368 11.882 ( -8.123 -11.042 0.000) 13.708 12.238 ( 0.538 1.053 0.000) 1.182 12.375 ( -5.099 -4.165 0.000) 6.584 12.620 ( 9.769 3.534 0.000) 10.388 13.078 ( 17.712 -1.129 0.000) 17.748 13.536 ( -2.002 4.940 0.000) 5.330 13.560 ( 1.010 -1.266 0.000) 1.620 13.760 ( 0.521 -4.569 0.000) 4.598 14.069 ( -7.885 -0.294 0.000) 7.890 16.108 ( 0.263 3.284 0.000) 3.295 16.862 ( -11.520 -2.050 0.000) 11.701 16.965 ( 7.788 0.400 0.000) 7.798 17.909 ( -9.241 -0.236 0.000) 9.244 ======================= Grid point 55 (41/219) ======================= q-point: (-0.62 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( 1.841 -2.905 0.000) 3.439 3.451 ( -3.996 -4.983 0.000) 6.387 3.574 ( -1.030 3.626 0.000) 3.770 3.837 ( -2.697 6.202 0.000) 6.763 5.627 ( -3.818 -1.038 0.000) 3.956 5.655 ( -12.246 4.600 0.000) 13.082 5.788 ( -5.140 -1.932 0.000) 5.491 5.839 ( -10.551 2.526 0.000) 10.849 6.372 ( 0.432 -5.452 0.000) 5.469 6.601 ( -7.333 -5.875 0.000) 9.396 7.450 ( 5.730 1.569 0.000) 5.941 7.589 ( -6.680 -0.616 0.000) 6.709 7.647 ( -1.829 -1.069 0.000) 2.119 8.245 ( 3.221 0.640 0.000) 3.284 8.396 ( -0.523 -1.514 0.000) 1.602 8.475 ( -0.517 -6.599 0.000) 6.619 8.851 ( 9.521 12.416 0.000) 15.646 9.434 ( -10.471 -0.769 0.000) 10.499 9.668 ( -6.726 -19.463 0.000) 20.592 9.822 ( -4.034 8.354 0.000) 9.277 10.510 ( 1.287 -2.132 0.000) 2.491 10.552 ( -10.738 -1.726 0.000) 10.876 10.665 ( -10.000 6.649 0.000) 12.009 10.866 ( -9.812 -0.860 0.000) 9.850 10.988 ( -7.866 -0.626 0.000) 7.891 11.090 ( -3.442 1.591 0.000) 3.792 11.217 ( -2.340 2.336 0.000) 3.307 11.467 ( 0.008 4.593 0.000) 4.593 11.773 ( -8.151 -8.574 0.000) 11.830 11.958 ( -3.624 0.967 0.000) 3.751 12.111 ( -8.005 -1.380 0.000) 8.123 12.350 ( 0.469 -4.138 0.000) 4.165 12.874 ( 12.927 6.306 0.000) 14.384 13.413 ( 18.331 3.787 0.000) 18.718 13.483 ( -0.856 3.203 0.000) 3.315 13.542 ( -5.537 1.270 0.000) 5.680 13.786 ( -0.318 -3.292 0.000) 3.308 13.928 ( -2.122 -6.068 0.000) 6.428 16.137 ( 4.881 5.215 0.000) 7.143 16.788 ( 0.805 -8.030 0.000) 8.070 17.134 ( 10.071 4.178 0.000) 10.903 17.848 ( 1.809 -4.639 0.000) 4.979 ======================= Grid point 56 (42/219) ======================= q-point: (-0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.411 ( 1.995 -3.502 0.000) 4.031 3.415 ( -4.041 -10.035 0.000) 10.818 3.512 ( -2.529 5.425 0.000) 5.985 3.729 ( -4.141 7.021 0.000) 8.152 5.312 ( -17.496 4.943 0.000) 18.181 5.550 ( -5.258 -2.426 0.000) 5.790 5.578 ( -14.925 0.216 0.000) 14.927 5.686 ( -8.164 -1.311 0.000) 8.269 6.402 ( -2.198 -7.685 0.000) 7.993 6.454 ( -9.285 -3.320 0.000) 9.861 7.406 ( -11.676 -2.570 0.000) 11.955 7.551 ( -9.881 3.303 0.000) 10.419 7.576 ( 6.432 3.611 0.000) 7.377 8.287 ( 2.912 0.031 0.000) 2.913 8.305 ( -8.118 -2.757 0.000) 8.574 8.510 ( -0.510 -5.597 0.000) 5.620 9.024 ( 13.660 8.269 0.000) 15.967 9.260 ( -9.405 -1.609 0.000) 9.542 9.621 ( -10.387 -16.739 0.000) 19.700 9.626 ( -9.726 2.888 0.000) 10.145 10.295 ( -12.788 2.482 0.000) 13.026 10.366 ( -16.165 7.381 0.000) 17.771 10.475 ( -12.595 -3.276 0.000) 13.014 10.679 ( -10.319 -5.294 0.000) 11.598 10.842 ( -5.487 -2.992 0.000) 6.250 10.989 ( -5.158 2.203 0.000) 5.609 11.203 ( -0.560 -2.437 0.000) 2.501 11.395 ( -13.113 4.819 0.000) 13.971 11.682 ( -6.958 -3.112 0.000) 7.623 11.689 ( -4.896 -8.885 0.000) 10.145 12.125 ( 1.706 -0.204 0.000) 1.718 12.403 ( 2.947 -2.118 0.000) 3.629 12.896 ( -4.180 13.107 0.000) 13.758 13.295 ( -12.746 -1.222 0.000) 12.804 13.463 ( 0.134 1.273 0.000) 1.280 13.785 ( -1.352 -1.689 0.000) 2.164 13.884 ( 31.000 2.917 0.000) 31.137 14.166 ( 19.156 -2.445 0.000) 19.312 16.232 ( 7.778 4.729 0.000) 9.103 16.951 ( 7.861 -14.110 0.000) 16.152 17.297 ( 10.396 8.836 0.000) 13.644 18.018 ( 9.864 -10.213 0.000) 14.198 ======================= Grid point 57 (43/219) ======================= q-point: (-0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( -5.118 7.546 0.000) 9.118 3.406 ( -4.838 -13.982 0.000) 14.796 3.492 ( 2.252 -3.911 0.000) 4.513 3.594 ( -5.332 6.287 0.000) 8.244 4.933 ( -17.841 3.962 0.000) 18.276 5.204 ( -19.954 4.818 0.000) 20.528 5.457 ( -15.403 0.882 0.000) 15.428 5.500 ( -3.802 -7.671 0.000) 8.562 6.266 ( -13.616 -4.680 0.000) 14.398 6.338 ( -10.342 -9.300 0.000) 13.908 7.124 ( -22.184 3.689 0.000) 22.489 7.244 ( -12.750 4.322 0.000) 13.463 7.571 ( -4.216 9.118 0.000) 10.045 8.207 ( -3.944 -8.134 0.000) 9.039 8.372 ( 0.947 -8.338 0.000) 8.391 8.523 ( 1.613 -0.683 0.000) 1.751 9.017 ( -13.992 7.155 0.000) 15.716 9.203 ( -0.191 5.067 0.000) 5.071 9.439 ( -7.981 -1.094 0.000) 8.056 9.479 ( -7.495 -9.733 0.000) 12.285 9.925 ( -27.712 0.434 0.000) 27.716 9.970 ( -21.392 -4.583 0.000) 21.877 10.159 ( -13.258 -2.757 0.000) 13.541 10.487 ( -14.817 -10.656 0.000) 18.251 10.754 ( -7.782 -0.320 0.000) 7.789 10.858 ( -7.058 0.279 0.000) 7.063 11.041 ( -12.153 -1.250 0.000) 12.217 11.210 ( -1.345 -6.267 0.000) 6.410 11.720 ( 2.466 -10.646 0.000) 10.928 11.775 ( 10.631 3.591 0.000) 11.221 12.105 ( -3.853 1.856 0.000) 4.277 12.493 ( 4.650 -2.984 0.000) 5.525 12.661 ( -9.015 9.995 0.000) 13.460 13.175 ( -0.214 2.088 0.000) 2.099 13.468 ( 0.754 0.378 0.000) 0.843 13.749 ( -3.088 -0.405 0.000) 3.115 14.489 ( 27.361 2.744 0.000) 27.498 14.655 ( 33.669 5.974 0.000) 34.195 16.381 ( 8.896 0.921 0.000) 8.944 17.235 ( 10.646 -18.335 0.000) 21.201 17.443 ( 10.742 11.254 0.000) 15.558 18.317 ( 12.358 -13.292 0.000) 18.150 ======================= Grid point 58 (44/219) ======================= q-point: (-0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( -8.795 11.714 0.000) 14.648 3.353 ( -9.591 -13.040 0.000) 16.187 3.444 ( -6.229 6.853 0.000) 9.261 3.565 ( 2.077 -5.021 0.000) 5.434 4.576 ( -16.844 -0.342 0.000) 16.847 4.762 ( -19.553 9.085 0.000) 21.560 5.071 ( -22.614 1.644 0.000) 22.674 5.491 ( -3.811 -12.422 0.000) 12.993 5.909 ( -26.927 -7.074 0.000) 27.840 6.087 ( -23.168 -14.135 0.000) 27.140 6.490 ( -31.207 17.138 0.000) 35.603 7.026 ( -9.557 2.742 0.000) 9.942 7.356 ( -9.092 12.644 0.000) 15.573 8.106 ( -20.653 -6.088 0.000) 21.532 8.175 ( -26.666 5.275 0.000) 27.183 8.650 ( 0.144 3.991 0.000) 3.994 8.735 ( -0.909 -9.362 0.000) 9.406 8.764 ( -19.315 11.094 0.000) 22.274 9.294 ( -23.880 -13.292 0.000) 27.330 9.479 ( -8.440 -5.647 0.000) 10.155 9.534 ( 3.830 -3.965 0.000) 5.513 9.651 ( -15.169 -16.430 0.000) 22.362 9.986 ( -6.793 0.178 0.000) 6.796 10.294 ( -9.734 -12.476 0.000) 15.824 10.518 ( -15.926 -0.225 0.000) 15.928 10.715 ( -6.818 -1.715 0.000) 7.030 10.972 ( 2.047 -0.036 0.000) 2.048 11.235 ( -1.008 -10.908 0.000) 10.954 11.891 ( 6.670 -12.569 0.000) 14.230 11.915 ( -6.826 6.627 0.000) 9.514 12.013 ( 9.868 5.388 0.000) 11.243 12.487 ( -3.901 5.264 0.000) 6.552 12.615 ( 4.873 -4.867 0.000) 6.887 13.211 ( 6.298 8.639 0.000) 10.691 13.481 ( 0.509 0.917 0.000) 1.049 13.669 ( -4.760 0.012 0.000) 4.760 14.916 ( 20.444 7.373 0.000) 21.733 15.361 ( 39.318 9.186 0.000) 40.377 16.573 ( 9.247 -5.483 0.000) 10.750 17.582 ( 12.721 -19.418 0.000) 23.214 17.589 ( 11.180 11.880 0.000) 16.314 18.641 ( 11.832 -13.892 0.000) 18.248 ======================= Grid point 59 (45/219) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( -12.636 18.078 0.000) 22.057 3.152 ( -15.352 3.845 0.000) 15.826 3.262 ( -8.649 -0.745 0.000) 8.681 3.617 ( -0.312 -4.047 0.000) 4.059 4.266 ( -17.299 -5.002 0.000) 18.008 4.366 ( -13.766 9.903 0.000) 16.958 4.562 ( -27.575 1.723 0.000) 27.629 5.212 ( -40.670 -13.027 0.000) 42.706 5.429 ( -47.161 -2.947 0.000) 47.253 5.567 ( -3.935 -11.018 0.000) 11.700 5.969 ( -12.626 6.558 0.000) 14.228 6.741 ( -21.654 8.463 0.000) 23.249 6.955 ( -33.443 14.426 0.000) 36.422 7.413 ( -34.973 6.224 0.000) 35.523 7.475 ( -23.185 5.643 0.000) 23.862 8.565 ( -2.213 0.681 0.000) 2.315 8.585 ( -5.270 0.066 0.000) 5.271 8.769 ( -16.952 -13.632 0.000) 21.754 9.122 ( 3.329 -11.961 0.000) 12.416 9.374 ( -17.105 -22.917 0.000) 28.597 9.402 ( -5.431 -6.335 0.000) 8.345 9.711 ( 3.397 -8.276 0.000) 8.946 9.875 ( -3.548 1.721 0.000) 3.943 10.157 ( -19.945 -2.352 0.000) 20.084 10.263 ( 0.339 -5.354 0.000) 5.365 10.652 ( -0.713 -2.813 0.000) 2.902 11.034 ( 2.557 0.622 0.000) 2.632 11.307 ( -0.090 -16.538 0.000) 16.538 11.646 ( -10.271 11.692 0.000) 15.563 12.098 ( 5.447 -15.001 0.000) 15.959 12.235 ( 13.086 5.371 0.000) 14.145 12.427 ( 0.038 3.506 0.000) 3.507 12.717 ( 1.567 -4.999 0.000) 5.238 13.297 ( 8.648 13.236 0.000) 15.811 13.447 ( -3.500 1.255 0.000) 3.719 13.601 ( -1.063 0.242 0.000) 1.090 15.219 ( 15.055 8.176 0.000) 17.132 16.024 ( 33.610 14.133 0.000) 36.460 16.815 ( 9.591 -13.071 0.000) 16.213 17.741 ( 11.163 11.686 0.000) 16.161 17.959 ( 14.264 -16.293 0.000) 21.654 18.940 ( 10.165 -12.959 0.000) 16.470 ======================= Grid point 60 (46/219) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -13.833 27.206 0.000) 30.521 2.712 ( -20.364 23.060 0.000) 30.765 3.123 ( -10.640 -13.545 0.000) 17.224 3.559 ( -7.760 1.129 0.000) 7.841 3.876 ( -23.989 10.709 0.000) 26.270 3.984 ( -27.238 1.866 0.000) 27.302 4.091 ( -13.824 7.806 0.000) 15.875 4.461 ( -34.317 -14.602 0.000) 37.294 4.537 ( -38.747 -2.175 0.000) 38.808 5.557 ( -9.153 -10.700 0.000) 14.081 5.783 ( -13.176 -3.264 0.000) 13.574 5.960 ( -36.803 9.998 0.000) 38.137 5.991 ( -43.020 9.354 0.000) 44.025 7.026 ( -8.046 -1.451 0.000) 8.176 7.256 ( -2.169 6.543 0.000) 6.893 8.299 ( -24.237 1.863 0.000) 24.309 8.362 ( -28.938 -13.173 0.000) 31.795 8.565 ( -0.691 -2.484 0.000) 2.578 9.203 ( -3.844 -2.740 0.000) 4.721 9.273 ( -6.402 -21.009 0.000) 21.963 9.373 ( -1.252 -8.604 0.000) 8.694 9.714 ( -14.365 2.017 0.000) 14.505 9.824 ( 1.193 -15.811 0.000) 15.856 9.954 ( 1.433 -4.125 0.000) 4.367 10.322 ( 4.914 7.433 0.000) 8.910 10.720 ( 5.653 -3.463 0.000) 6.630 11.006 ( -4.728 -0.393 0.000) 4.745 11.423 ( -0.050 -21.296 0.000) 21.296 11.477 ( 0.722 11.021 0.000) 11.045 12.278 ( 2.689 -18.032 0.000) 18.231 12.437 ( 9.959 5.219 0.000) 11.244 12.440 ( 3.039 2.684 0.000) 4.055 12.703 ( -5.423 -3.015 0.000) 6.205 13.377 ( 7.781 15.398 0.000) 17.252 13.386 ( -1.222 -0.615 0.000) 1.368 13.602 ( 0.914 1.637 0.000) 1.874 15.416 ( 9.341 5.586 0.000) 10.884 16.460 ( 19.329 18.241 0.000) 26.577 17.104 ( 9.848 -18.090 0.000) 20.597 17.878 ( 9.409 11.368 0.000) 14.756 18.326 ( 14.516 -10.056 0.000) 17.659 19.193 ( 7.890 -11.685 0.000) 14.100 ======================= Grid point 61 (47/219) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -9.021 37.236 0.000) 38.314 2.056 ( -30.285 28.054 0.000) 41.282 2.884 ( -15.886 18.248 0.000) 24.194 3.203 ( -27.332 0.628 0.000) 27.340 3.382 ( -7.054 10.246 0.000) 12.439 3.542 ( -18.187 -2.293 0.000) 18.331 3.674 ( -11.081 7.853 0.000) 13.581 4.022 ( -18.927 -10.047 0.000) 21.428 4.291 ( 0.187 -10.779 0.000) 10.781 4.962 ( -34.949 2.826 0.000) 35.063 5.024 ( -34.566 5.780 0.000) 35.046 5.699 ( -1.812 -7.585 0.000) 7.798 5.872 ( 2.636 -10.474 0.000) 10.800 6.946 ( -2.121 -0.619 0.000) 2.210 7.217 ( 0.464 3.564 0.000) 3.594 7.724 ( -26.422 7.285 0.000) 27.408 7.760 ( -36.743 -7.531 0.000) 37.507 8.598 ( 1.092 -5.834 0.000) 5.936 9.107 ( -4.974 -1.477 0.000) 5.188 9.308 ( -1.315 -10.902 0.000) 10.981 9.329 ( -7.012 -1.209 0.000) 7.116 9.521 ( -3.621 -3.722 0.000) 5.193 9.953 ( 0.648 -20.454 0.000) 20.465 10.053 ( 4.443 -0.294 0.000) 4.453 10.330 ( 2.902 16.134 0.000) 16.393 10.910 ( 10.364 -4.894 0.000) 11.462 10.949 ( -1.861 -6.488 0.000) 6.749 11.475 ( 2.964 7.243 0.000) 7.826 11.540 ( -2.041 -23.068 0.000) 23.158 12.429 ( 1.023 -21.405 0.000) 21.430 12.499 ( 3.349 1.072 0.000) 3.516 12.518 ( -1.289 3.058 0.000) 3.318 12.618 ( -0.204 1.248 0.000) 1.264 13.398 ( 1.046 -0.986 0.000) 1.437 13.406 ( 4.455 16.123 0.000) 16.728 13.605 ( 0.628 2.534 0.000) 2.611 15.525 ( 4.209 2.336 0.000) 4.814 16.569 ( 3.754 17.603 0.000) 17.999 17.382 ( 6.913 -15.594 0.000) 17.058 17.960 ( 5.372 11.080 0.000) 12.313 18.631 ( 11.153 -4.856 0.000) 12.164 19.386 ( 4.585 -10.791 0.000) 11.725 ======================= Grid point 62 (48/219) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 0.000 36.014 0.000) 36.014 1.713 ( 0.000 44.047 0.000) 44.047 2.463 ( 0.000 56.217 0.000) 56.217 2.853 ( 0.000 0.301 0.000) 0.301 3.313 ( 0.000 2.190 0.000) 2.190 3.433 ( -0.000 -20.407 0.000) 20.407 3.538 ( 0.000 10.011 0.000) 10.011 3.881 ( -0.000 -8.715 0.000) 8.715 4.432 ( -0.000 -11.565 0.000) 11.565 4.517 ( 0.000 2.633 0.000) 2.633 4.620 ( 0.000 3.245 0.000) 3.245 5.731 ( -0.000 -7.000 0.000) 7.000 6.013 ( -0.000 -13.981 0.000) 13.981 6.925 ( 0.000 1.216 0.000) 1.216 7.213 ( 0.000 0.183 0.000) 0.183 7.251 ( 0.000 8.984 0.000) 8.984 7.366 ( 0.000 10.986 0.000) 10.986 8.662 ( -0.000 -9.948 0.000) 9.948 9.062 ( -0.000 -1.273 0.000) 1.273 9.244 ( 0.000 0.122 0.000) 0.122 9.325 ( 0.000 1.427 0.000) 1.427 9.520 ( -0.000 -3.533 0.000) 3.533 10.084 ( -0.000 -20.102 0.000) 20.102 10.088 ( 0.000 3.816 0.000) 3.816 10.271 ( 0.000 9.945 0.000) 9.945 10.987 ( -0.000 -8.314 0.000) 8.314 11.093 ( -0.000 -7.583 0.000) 7.583 11.475 ( 0.000 3.668 0.000) 3.668 11.637 ( -0.000 -21.718 0.000) 21.718 12.465 ( 0.000 0.983 0.000) 0.983 12.529 ( 0.000 0.914 0.000) 0.914 12.581 ( -0.000 -24.506 0.000) 24.506 12.616 ( 0.000 5.118 0.000) 5.118 13.354 ( 0.000 15.992 0.000) 15.992 13.414 ( -0.000 -0.037 0.000) 0.037 13.595 ( 0.000 2.805 0.000) 2.805 15.557 ( 0.000 0.480 0.000) 0.480 16.473 ( 0.000 18.647 0.000) 18.647 17.534 ( -0.000 -12.244 0.000) 12.244 17.949 ( 0.000 10.387 0.000) 10.387 18.780 ( -0.000 -3.862 0.000) 3.862 19.495 ( -0.000 -9.968 0.000) 9.968 ======================= Grid point 69 (49/219) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( 1.802 -0.000 0.000) 1.802 3.492 ( -3.309 0.000 0.000) 3.309 3.616 ( -0.336 0.000 0.000) 0.336 3.935 ( -1.538 0.000 0.000) 1.538 5.677 ( -2.263 0.000 0.000) 2.263 5.716 ( 3.094 -0.000 0.000) 3.094 6.015 ( -9.878 0.000 0.000) 9.878 6.086 ( -8.589 0.000 0.000) 8.589 6.295 ( 1.706 -0.000 0.000) 1.706 6.544 ( 5.309 -0.000 0.000) 5.309 7.453 ( -5.796 0.000 0.000) 5.796 7.650 ( -2.411 0.000 0.000) 2.411 7.705 ( -5.368 0.000 0.000) 5.368 8.093 ( 10.479 -0.000 0.000) 10.479 8.325 ( 5.795 -0.000 0.000) 5.795 8.447 ( -1.768 0.000 0.000) 1.768 8.806 ( 9.080 -0.000 0.000) 9.080 9.614 ( -7.693 0.000 0.000) 7.693 9.720 ( -16.773 0.000 0.000) 16.773 9.847 ( 10.210 -0.000 0.000) 10.210 10.383 ( 5.826 -0.000 0.000) 5.826 10.756 ( -9.553 0.000 0.000) 9.553 10.894 ( -8.315 0.000 0.000) 8.315 11.001 ( -2.376 0.000 0.000) 2.376 11.061 ( 0.390 -0.000 0.000) 0.390 11.109 ( 2.809 -0.000 0.000) 2.809 11.468 ( -13.237 0.000 0.000) 13.237 11.597 ( -6.831 0.000 0.000) 6.831 11.803 ( -5.455 0.000 0.000) 5.455 11.814 ( 12.721 -0.000 0.000) 12.721 12.247 ( 2.544 -0.000 0.000) 2.544 12.345 ( -7.478 0.000 0.000) 7.478 12.641 ( 8.245 -0.000 0.000) 8.245 13.071 ( 20.572 -0.000 0.000) 20.572 13.552 ( 0.764 -0.000 0.000) 0.764 13.573 ( -3.019 0.000 0.000) 3.019 13.725 ( 1.400 -0.000 0.000) 1.400 14.067 ( -8.538 0.000 0.000) 8.538 16.129 ( 0.558 -0.000 0.000) 0.558 16.849 ( -12.737 0.000 0.000) 12.737 16.967 ( 8.455 -0.000 0.000) 8.455 17.908 ( -10.033 0.000 0.000) 10.033 ======================= Grid point 70 (50/219) ======================= q-point: (-0.69 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.328 ( 1.822 -1.029 0.000) 2.093 3.410 ( -5.251 -1.720 0.000) 5.525 3.604 ( -0.688 1.292 0.000) 1.463 3.891 ( -2.506 2.432 0.000) 3.492 5.619 ( -3.873 -0.296 0.000) 3.884 5.708 ( -7.112 3.653 0.000) 7.995 5.760 ( -10.984 -2.537 0.000) 11.273 5.863 ( -12.848 1.182 0.000) 12.903 6.324 ( 0.278 -2.204 0.000) 2.221 6.548 ( -4.836 -2.471 0.000) 5.430 7.464 ( 5.884 0.634 0.000) 5.918 7.566 ( -8.948 -1.582 0.000) 9.087 7.654 ( 0.951 0.831 0.000) 1.262 8.251 ( 4.774 0.256 0.000) 4.781 8.383 ( -0.959 -0.521 0.000) 1.091 8.421 ( -0.728 -2.338 0.000) 2.448 8.982 ( 10.383 7.614 0.000) 12.876 9.424 ( -12.844 -0.556 0.000) 12.856 9.478 ( -7.869 -10.121 0.000) 12.820 9.899 ( -4.587 3.615 0.000) 5.840 10.485 ( 3.527 -1.324 0.000) 3.767 10.540 ( -11.137 -0.458 0.000) 11.147 10.719 ( -8.898 2.269 0.000) 9.183 10.859 ( -12.027 -0.357 0.000) 12.032 10.984 ( -8.266 -0.154 0.000) 8.268 11.100 ( -3.594 0.292 0.000) 3.606 11.247 ( -5.792 1.867 0.000) 6.085 11.510 ( 0.206 2.087 0.000) 2.097 11.696 ( -6.599 -3.684 0.000) 7.558 11.966 ( -4.667 0.347 0.000) 4.680 12.100 ( -9.733 -0.478 0.000) 9.744 12.311 ( 2.779 -1.870 0.000) 3.349 12.925 ( 15.521 2.220 0.000) 15.678 13.436 ( 12.572 0.526 0.000) 12.583 13.515 ( -2.075 1.671 0.000) 2.664 13.568 ( 3.357 2.071 0.000) 3.944 13.753 ( 0.705 -1.685 0.000) 1.826 13.868 ( -6.035 -3.160 0.000) 6.812 16.189 ( 5.714 2.708 0.000) 6.324 16.713 ( -1.892 -3.612 0.000) 4.077 17.170 ( 11.981 1.654 0.000) 12.094 17.808 ( -0.407 -1.813 0.000) 1.858 ======================= Grid point 71 (51/219) ======================= q-point: (-0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( -5.786 -5.582 0.000) 8.040 3.376 ( 2.128 -2.026 0.000) 2.938 3.566 ( -2.036 3.185 0.000) 3.781 3.801 ( -4.538 4.509 0.000) 6.397 5.377 ( -17.214 5.204 0.000) 17.984 5.524 ( -6.114 -1.565 0.000) 6.311 5.585 ( -14.759 0.621 0.000) 14.772 5.658 ( -7.485 -2.994 0.000) 8.062 6.322 ( -3.174 -5.013 0.000) 5.933 6.421 ( -8.803 -2.088 0.000) 9.048 7.380 ( -10.599 -1.570 0.000) 10.714 7.589 ( -7.913 2.596 0.000) 8.328 7.613 ( 8.384 2.373 0.000) 8.713 8.281 ( -9.303 -1.338 0.000) 9.398 8.283 ( -0.586 -0.523 0.000) 0.785 8.457 ( 2.037 -3.017 0.000) 3.640 9.125 ( 9.779 8.717 0.000) 13.100 9.224 ( -8.859 -2.958 0.000) 9.340 9.429 ( -5.833 -14.536 0.000) 15.663 9.679 ( -12.792 4.356 0.000) 13.513 10.316 ( -11.589 1.054 0.000) 11.637 10.442 ( -13.904 -2.142 0.000) 14.068 10.457 ( -16.372 7.414 0.000) 17.973 10.613 ( -12.886 -5.698 0.000) 14.089 10.813 ( -5.691 -1.689 0.000) 5.937 11.012 ( -4.605 1.351 0.000) 4.799 11.183 ( -2.209 -0.906 0.000) 2.388 11.454 ( -21.318 4.599 0.000) 21.808 11.603 ( -4.717 -5.181 0.000) 7.007 11.640 ( 0.000 -3.607 0.000) 3.607 12.125 ( 2.274 0.042 0.000) 2.274 12.381 ( 3.344 -1.366 0.000) 3.612 13.038 ( -1.638 10.005 0.000) 10.138 13.269 ( -15.917 -3.178 0.000) 16.231 13.478 ( -0.728 1.062 0.000) 1.288 13.766 ( -0.455 -1.260 0.000) 1.339 13.905 ( 28.838 0.908 0.000) 28.852 14.142 ( 24.324 -1.433 0.000) 24.366 16.301 ( 7.995 5.969 0.000) 9.977 16.797 ( 5.042 -10.847 0.000) 11.962 17.392 ( 12.527 6.598 0.000) 14.159 17.909 ( 7.410 -7.375 0.000) 10.454 ======================= Grid point 72 (52/219) ======================= q-point: (-0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( -5.324 -10.106 0.000) 11.423 3.430 ( 1.200 -1.227 0.000) 1.716 3.485 ( -2.950 4.118 0.000) 5.065 3.661 ( -6.516 4.717 0.000) 8.044 4.998 ( -17.628 6.244 0.000) 18.702 5.258 ( -17.067 4.160 0.000) 17.567 5.417 ( -6.603 -6.027 0.000) 8.940 5.454 ( -14.959 -1.298 0.000) 15.015 6.219 ( -14.326 -3.067 0.000) 14.650 6.225 ( -11.797 -8.487 0.000) 14.533 7.164 ( -12.727 2.630 0.000) 12.996 7.311 ( -15.599 6.097 0.000) 16.748 7.680 ( -0.592 8.769 0.000) 8.789 8.113 ( -7.529 -7.377 0.000) 10.541 8.268 ( -3.007 -8.240 0.000) 8.772 8.513 ( 2.194 -0.901 0.000) 2.371 9.067 ( -9.531 0.966 0.000) 9.580 9.233 ( -1.249 0.210 0.000) 1.267 9.405 ( 0.706 -3.363 0.000) 3.436 9.420 ( -11.082 -0.255 0.000) 11.085 9.912 ( -33.609 -2.355 0.000) 33.692 9.980 ( -28.717 5.226 0.000) 29.189 10.134 ( -9.962 -1.345 0.000) 10.052 10.355 ( -18.222 -11.000 0.000) 21.285 10.737 ( -7.025 -1.795 0.000) 7.251 10.877 ( -7.980 2.022 0.000) 8.232 11.028 ( -11.952 -0.812 0.000) 11.980 11.148 ( -2.843 -3.976 0.000) 4.889 11.611 ( 2.298 -7.216 0.000) 7.573 11.813 ( 12.288 2.583 0.000) 12.557 12.128 ( -1.737 1.799 0.000) 2.501 12.459 ( 3.443 -2.540 0.000) 4.278 12.767 ( -13.266 7.324 0.000) 15.154 13.195 ( 3.641 1.132 0.000) 3.813 13.473 ( 0.663 0.453 0.000) 0.803 13.743 ( -2.615 -0.463 0.000) 2.656 14.516 ( 30.340 1.815 0.000) 30.395 14.708 ( 33.973 2.903 0.000) 34.097 16.425 ( 8.204 6.223 0.000) 10.297 17.018 ( 8.604 -17.373 0.000) 19.386 17.579 ( 11.855 11.006 0.000) 16.176 18.160 ( 11.146 -12.466 0.000) 16.723 ======================= Grid point 73 (53/219) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( -7.101 -10.718 0.000) 12.857 3.320 ( -6.432 9.731 0.000) 11.664 3.502 ( -6.781 2.996 0.000) 7.413 3.511 ( 2.042 -3.874 0.000) 4.380 4.607 ( -18.453 5.057 0.000) 19.133 4.872 ( -17.398 9.136 0.000) 19.650 5.082 ( -22.845 0.025 0.000) 22.845 5.343 ( -6.875 -11.970 0.000) 13.804 5.839 ( -27.017 -4.675 0.000) 27.418 5.924 ( -25.674 -12.288 0.000) 28.463 6.710 ( -24.078 18.604 0.000) 30.427 7.056 ( -9.326 2.030 0.000) 9.544 7.508 ( -7.675 12.591 0.000) 14.745 8.022 ( -13.534 -7.704 0.000) 15.573 8.188 ( -16.170 -3.440 0.000) 16.532 8.577 ( 2.352 -8.743 0.000) 9.054 8.778 ( -15.140 9.537 0.000) 17.893 8.896 ( -24.675 10.304 0.000) 26.740 9.137 ( -23.759 -11.531 0.000) 26.409 9.413 ( -10.314 -6.141 0.000) 12.004 9.420 ( -20.535 -12.426 0.000) 24.002 9.535 ( 2.013 -4.763 0.000) 5.171 9.985 ( -6.353 -0.227 0.000) 6.357 10.148 ( -7.652 -11.295 0.000) 13.643 10.508 ( -16.493 -1.145 0.000) 16.533 10.706 ( -7.565 0.030 0.000) 7.565 10.971 ( 2.639 -0.102 0.000) 2.641 11.124 ( -2.911 -7.575 0.000) 8.115 11.757 ( 6.171 -9.514 0.000) 11.340 12.005 ( -2.163 7.842 0.000) 8.135 12.068 ( 9.397 3.821 0.000) 10.144 12.544 ( -5.724 4.088 0.000) 7.034 12.552 ( 3.462 -5.524 0.000) 6.520 13.305 ( 9.064 6.787 0.000) 11.323 13.492 ( 1.263 0.958 0.000) 1.585 13.666 ( -5.108 -0.340 0.000) 5.119 15.013 ( 23.299 8.784 0.000) 24.900 15.426 ( 38.059 1.287 0.000) 38.080 16.555 ( 7.996 2.933 0.000) 8.517 17.343 ( 12.817 -20.101 0.000) 23.840 17.737 ( 11.590 12.586 0.000) 17.109 18.471 ( 11.710 -14.253 0.000) 18.446 ======================= Grid point 74 (54/219) ======================= q-point: (-0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( -11.476 -7.250 0.000) 13.574 3.093 ( -8.760 15.651 0.000) 17.936 3.351 ( -7.345 5.924 0.000) 9.437 3.568 ( 0.935 -4.038 0.000) 4.145 4.222 ( -18.929 -1.290 0.000) 18.973 4.493 ( -14.060 11.147 0.000) 17.943 4.575 ( -27.639 0.482 0.000) 27.644 5.069 ( -37.733 -10.698 0.000) 39.221 5.337 ( -40.701 -10.818 0.000) 42.114 5.430 ( -8.474 -11.596 0.000) 14.362 6.147 ( -18.029 20.872 0.000) 27.580 6.821 ( -16.331 4.790 0.000) 17.019 7.122 ( -35.970 13.215 0.000) 38.321 7.500 ( -40.490 8.485 0.000) 41.370 7.540 ( -18.694 5.327 0.000) 19.438 8.558 ( -5.882 -3.365 0.000) 6.776 8.590 ( -5.531 0.000 0.000) 5.531 8.623 ( -12.350 -11.295 0.000) 16.736 8.950 ( 1.213 -14.037 0.000) 14.089 9.120 ( -19.112 -18.508 0.000) 26.605 9.343 ( -3.864 -4.277 0.000) 5.764 9.591 ( -1.942 -10.896 0.000) 11.068 9.885 ( -3.096 0.158 0.000) 3.100 10.135 ( -21.078 -1.365 0.000) 21.122 10.194 ( 5.740 -5.858 0.000) 8.201 10.617 ( -1.787 -2.635 0.000) 3.184 11.043 ( 3.118 0.801 0.000) 3.219 11.133 ( -2.132 -12.328 0.000) 12.511 11.807 ( -6.651 14.609 0.000) 16.052 11.933 ( 4.655 -12.198 0.000) 13.056 12.292 ( 12.381 3.907 0.000) 12.983 12.470 ( -0.239 3.435 0.000) 3.443 12.647 ( 1.721 -6.644 0.000) 6.864 13.445 ( 10.050 11.056 0.000) 14.941 13.465 ( -4.318 1.704 0.000) 4.642 13.597 ( -0.652 -0.871 0.000) 1.088 15.332 ( 15.169 10.778 0.000) 18.608 16.133 ( 33.420 1.794 0.000) 33.468 16.710 ( 7.709 -2.177 0.000) 8.010 17.755 ( 17.102 -17.404 0.000) 24.400 17.888 ( 11.320 12.718 0.000) 17.026 18.778 ( 10.575 -13.889 0.000) 17.457 ======================= Grid point 75 (55/219) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( -9.142 23.789 0.000) 25.485 2.866 ( -13.221 -0.444 0.000) 13.228 3.075 ( -15.565 9.140 0.000) 18.050 3.565 ( -4.614 -0.474 0.000) 4.638 3.891 ( -16.679 -4.368 0.000) 17.241 4.024 ( -25.816 2.064 0.000) 25.898 4.174 ( -21.643 4.406 0.000) 22.087 4.321 ( -28.201 -6.483 0.000) 28.937 4.542 ( -39.326 -0.296 0.000) 39.327 5.406 ( -6.673 -14.167 0.000) 15.660 5.771 ( -16.284 3.538 0.000) 16.664 6.100 ( -48.970 8.577 0.000) 49.715 6.125 ( -38.724 17.046 0.000) 42.310 7.004 ( -9.590 -1.751 0.000) 9.749 7.353 ( -1.849 9.411 0.000) 9.591 8.246 ( -25.441 -6.384 0.000) 26.230 8.342 ( -21.113 4.855 0.000) 21.664 8.541 ( -1.363 -2.662 0.000) 2.990 8.996 ( -5.222 -23.787 0.000) 24.354 9.125 ( 1.960 -11.718 0.000) 11.881 9.276 ( -3.846 -6.034 0.000) 7.155 9.626 ( -2.376 -16.764 0.000) 16.931 9.724 ( -18.297 -0.326 0.000) 18.300 9.908 ( 3.168 -2.755 0.000) 4.198 10.377 ( 10.051 1.197 0.000) 10.122 10.668 ( 4.487 -4.734 0.000) 6.522 11.027 ( -3.947 3.419 0.000) 5.221 11.188 ( -1.538 -17.479 0.000) 17.546 11.641 ( 0.221 16.221 0.000) 16.222 12.081 ( 2.136 -14.563 0.000) 14.719 12.475 ( 2.377 2.962 0.000) 3.798 12.491 ( 9.664 3.473 0.000) 10.269 12.660 ( -4.263 -4.026 0.000) 5.864 13.374 ( -2.920 -1.385 0.000) 3.232 13.554 ( 8.310 13.781 0.000) 16.093 13.615 ( 1.372 0.614 0.000) 1.503 15.499 ( 8.144 8.348 0.000) 11.663 16.663 ( 21.609 13.445 0.000) 25.450 16.885 ( 6.459 -16.246 0.000) 17.483 18.022 ( 9.591 12.456 0.000) 15.721 18.199 ( 18.336 -10.891 0.000) 21.327 19.046 ( 8.221 -12.780 0.000) 15.196 ======================= Grid point 76 (56/219) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -27.039 24.178 0.000) 36.272 2.477 ( -4.898 32.499 0.000) 32.866 2.851 ( -6.899 -10.895 0.000) 12.895 3.214 ( -28.588 1.274 0.000) 28.616 3.538 ( -17.247 0.603 0.000) 17.258 3.660 ( -6.405 19.250 0.000) 20.287 3.732 ( -9.055 0.993 0.000) 9.110 3.933 ( -20.814 -1.756 0.000) 20.888 4.193 ( 0.871 -4.369 0.000) 4.455 4.987 ( -34.884 1.168 0.000) 34.904 5.086 ( -37.106 4.057 0.000) 37.327 5.596 ( -4.419 -9.466 0.000) 10.447 5.781 ( -0.769 -1.008 0.000) 1.268 6.921 ( -2.252 -3.275 0.000) 3.974 7.288 ( 0.273 8.297 0.000) 8.302 7.730 ( -26.242 1.343 0.000) 26.277 7.828 ( -22.200 9.581 0.000) 24.179 8.548 ( 0.037 -3.349 0.000) 3.349 9.087 ( -4.914 -1.976 0.000) 5.296 9.099 ( -0.121 -21.460 0.000) 21.460 9.300 ( -2.820 -4.454 0.000) 5.271 9.462 ( -7.207 -5.941 0.000) 9.341 9.706 ( -0.856 -20.345 0.000) 20.363 10.022 ( 4.525 -4.045 0.000) 6.069 10.530 ( 8.283 13.221 0.000) 15.602 10.837 ( 8.323 -6.786 0.000) 10.739 10.898 ( -5.665 -0.275 0.000) 5.671 11.269 ( -2.365 -21.400 0.000) 21.531 11.594 ( 2.482 12.749 0.000) 12.988 12.196 ( 0.287 -16.879 0.000) 16.881 12.515 ( 2.636 1.449 0.000) 3.008 12.545 ( -5.263 1.179 0.000) 5.394 12.630 ( 4.302 1.056 0.000) 4.430 13.373 ( 0.519 -3.217 0.000) 3.258 13.597 ( 4.654 15.352 0.000) 16.042 13.631 ( 0.804 1.631 0.000) 1.819 15.569 ( 3.379 5.175 0.000) 6.181 16.772 ( 2.749 15.390 0.000) 15.634 17.182 ( 8.973 -17.099 0.000) 19.310 18.101 ( 5.576 12.265 0.000) 13.473 18.567 ( 12.758 -5.718 0.000) 13.981 19.248 ( 4.625 -11.952 0.000) 12.816 ======================= Grid point 77 (57/219) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 0.000 31.960 0.000) 31.960 2.217 ( 0.000 39.529 0.000) 39.529 2.839 ( -0.000 -0.790 0.000) 0.790 2.856 ( 0.000 0.155 0.000) 0.155 3.341 ( 0.000 2.373 0.000) 2.373 3.445 ( 0.000 28.785 0.000) 28.785 3.639 ( 0.000 6.314 0.000) 6.314 3.768 ( -0.000 -9.940 0.000) 9.940 4.299 ( -0.000 -9.770 0.000) 9.770 4.549 ( 0.000 2.685 0.000) 2.685 4.657 ( 0.000 2.839 0.000) 2.839 5.629 ( -0.000 -9.971 0.000) 9.971 5.840 ( -0.000 -12.461 0.000) 12.461 6.920 ( -0.000 -2.208 0.000) 2.208 7.251 ( 0.000 6.071 0.000) 6.071 7.369 ( 0.000 10.473 0.000) 10.473 7.510 ( 0.000 12.564 0.000) 12.564 8.576 ( -0.000 -5.005 0.000) 5.005 9.044 ( -0.000 -1.624 0.000) 1.624 9.216 ( -0.000 -17.126 0.000) 17.126 9.246 ( 0.000 0.124 0.000) 0.124 9.462 ( -0.000 -6.605 0.000) 6.605 9.827 ( -0.000 -21.762 0.000) 21.762 10.093 ( -0.000 -2.860 0.000) 2.860 10.491 ( 0.000 23.418 0.000) 23.418 10.880 ( -0.000 -9.304 0.000) 9.304 10.996 ( -0.000 -8.328 0.000) 8.328 11.366 ( -0.000 -22.878 0.000) 22.878 11.555 ( 0.000 9.563 0.000) 9.563 12.308 ( -0.000 -20.165 0.000) 20.165 12.476 ( 0.000 0.803 0.000) 0.803 12.540 ( 0.000 0.746 0.000) 0.746 12.664 ( 0.000 2.900 0.000) 2.900 13.400 ( -0.000 -2.422 0.000) 2.422 13.548 ( 0.000 16.129 0.000) 16.129 13.627 ( 0.000 2.263 0.000) 2.263 15.577 ( 0.000 3.018 0.000) 3.018 16.690 ( 0.000 16.732 0.000) 16.732 17.369 ( -0.000 -14.898 0.000) 14.898 18.084 ( 0.000 11.978 0.000) 11.978 18.730 ( -0.000 -4.406 0.000) 4.406 19.365 ( -0.000 -11.475 0.000) 11.475 ======================= Grid point 86 (58/219) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( -6.451 0.000 0.000) 6.451 3.364 ( 2.134 -0.000 0.000) 2.134 3.585 ( -1.795 0.000 0.000) 1.795 3.829 ( -4.717 0.000 0.000) 4.717 5.414 ( -17.344 0.000 0.000) 17.344 5.515 ( -6.835 0.000 0.000) 6.835 5.590 ( -14.348 0.000 0.000) 14.348 5.634 ( -6.937 0.000 0.000) 6.937 6.291 ( -3.606 0.000 0.000) 3.606 6.408 ( -8.546 0.000 0.000) 8.546 7.370 ( -9.931 0.000 0.000) 9.931 7.606 ( -7.275 0.000 0.000) 7.275 7.628 ( 9.147 -0.000 0.000) 9.147 8.273 ( -9.766 0.000 0.000) 9.766 8.279 ( -2.230 0.000 0.000) 2.230 8.439 ( 3.182 -0.000 0.000) 3.182 9.205 ( -8.953 0.000 0.000) 8.953 9.211 ( 9.407 -0.000 0.000) 9.407 9.306 ( -5.494 0.000 0.000) 5.494 9.708 ( -13.543 0.000 0.000) 13.543 10.322 ( -10.991 0.000 0.000) 10.991 10.428 ( -14.543 0.000 0.000) 14.543 10.537 ( -12.069 0.000 0.000) 12.069 10.545 ( -17.943 0.000 0.000) 17.943 10.803 ( -5.856 0.000 0.000) 5.856 11.020 ( -4.311 0.000 0.000) 4.311 11.178 ( -3.004 0.000 0.000) 3.004 11.488 ( -30.603 0.000 0.000) 30.603 11.571 ( -4.506 0.000 0.000) 4.506 11.612 ( 8.804 -0.000 0.000) 8.804 12.125 ( 2.470 -0.000 0.000) 2.470 12.373 ( 3.517 -0.000 0.000) 3.517 13.111 ( 3.722 -0.000 0.000) 3.722 13.238 ( -21.457 0.000 0.000) 21.457 13.485 ( -1.144 0.000 0.000) 1.144 13.758 ( -0.031 0.000 0.000) 0.031 13.910 ( 27.458 -0.000 0.000) 27.458 14.133 ( 26.748 -0.000 0.000) 26.748 16.346 ( 8.818 -0.000 0.000) 8.818 16.723 ( 3.304 -0.000 0.000) 3.304 17.437 ( 13.915 -0.000 0.000) 13.915 17.860 ( 5.901 -0.000 0.000) 5.901 ======================= Grid point 88 (59/219) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( -5.726 -3.691 0.000) 6.812 3.412 ( 2.318 -0.959 0.000) 2.509 3.529 ( -3.377 2.075 0.000) 3.963 3.702 ( -7.524 1.776 0.000) 7.730 5.062 ( -17.390 3.416 0.000) 17.723 5.302 ( -14.175 3.003 0.000) 14.490 5.358 ( -9.575 -3.660 0.000) 10.251 5.434 ( -14.361 -1.352 0.000) 14.424 6.151 ( -12.496 -3.359 0.000) 12.940 6.194 ( -14.540 -1.059 0.000) 14.578 7.185 ( -8.849 0.875 0.000) 8.892 7.370 ( -14.998 2.980 0.000) 15.291 7.768 ( 4.360 4.808 0.000) 6.490 8.038 ( -12.655 -4.203 0.000) 13.335 8.193 ( -6.233 -3.580 0.000) 7.188 8.504 ( 2.272 -0.439 0.000) 2.314 9.061 ( -6.727 -0.841 0.000) 6.779 9.222 ( -3.989 -1.042 0.000) 4.123 9.378 ( 6.580 -1.000 0.000) 6.655 9.440 ( -11.814 1.867 0.000) 11.960 9.882 ( -37.733 -1.789 0.000) 37.775 10.064 ( -33.530 7.204 0.000) 34.295 10.125 ( -8.698 -0.250 0.000) 8.701 10.232 ( -18.218 -8.550 0.000) 20.125 10.721 ( -6.696 -0.706 0.000) 6.733 10.896 ( -8.349 0.836 0.000) 8.391 11.022 ( -11.828 -0.274 0.000) 11.831 11.116 ( -3.659 -1.375 0.000) 3.909 11.551 ( 2.304 -2.550 0.000) 3.437 11.835 ( 13.241 0.949 0.000) 13.275 12.144 ( -0.260 0.782 0.000) 0.824 12.437 ( 2.469 -1.051 0.000) 2.683 12.829 ( -16.594 2.750 0.000) 16.820 13.203 ( 6.656 0.310 0.000) 6.663 13.477 ( 0.538 0.194 0.000) 0.572 13.739 ( -2.301 -0.198 0.000) 2.310 14.532 ( 33.317 0.710 0.000) 33.324 14.728 ( 32.649 0.685 0.000) 32.656 16.513 ( 9.555 6.622 0.000) 11.625 16.840 ( 5.998 -10.401 0.000) 12.006 17.693 ( 13.468 6.571 0.000) 14.985 18.034 ( 9.476 -7.102 0.000) 11.842 ======================= Grid point 89 (60/219) ======================= q-point: (-0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( -4.745 -6.221 0.000) 7.824 3.414 ( -4.379 5.733 0.000) 7.214 3.474 ( 1.470 -2.213 0.000) 2.657 3.524 ( -9.031 0.939 0.000) 9.080 4.677 ( -19.147 5.519 0.000) 19.927 4.980 ( -14.793 8.746 0.000) 17.186 5.074 ( -22.656 -1.026 0.000) 22.679 5.209 ( -9.844 -10.342 0.000) 14.278 5.797 ( -27.347 -2.425 0.000) 27.454 5.804 ( -26.367 -7.232 0.000) 27.341 6.916 ( -17.516 14.518 0.000) 22.750 7.071 ( -10.801 0.107 0.000) 10.801 7.657 ( -7.095 11.981 0.000) 13.924 7.921 ( -9.094 -9.184 0.000) 12.925 8.110 ( -7.409 -7.742 0.000) 10.716 8.505 ( -4.723 -3.337 0.000) 5.783 8.890 ( -15.052 7.809 0.000) 16.957 8.998 ( -25.332 6.267 0.000) 26.096 9.034 ( -30.615 -5.085 0.000) 31.034 9.301 ( -28.039 -6.706 0.000) 28.830 9.333 ( -8.154 -6.579 0.000) 10.477 9.487 ( 0.871 -3.258 0.000) 3.372 9.982 ( -6.201 -0.124 0.000) 6.203 10.036 ( -4.718 -6.808 0.000) 8.283 10.495 ( -16.243 -0.872 0.000) 16.267 10.710 ( -8.726 0.415 0.000) 8.735 10.970 ( 3.014 -0.070 0.000) 3.014 11.055 ( -3.961 -3.857 0.000) 5.529 11.668 ( 5.903 -5.106 0.000) 7.805 12.088 ( 8.562 4.633 0.000) 9.735 12.108 ( 2.656 3.524 0.000) 4.413 12.488 ( 1.451 -4.644 0.000) 4.865 12.583 ( -6.892 2.215 0.000) 7.239 13.370 ( 10.796 3.774 0.000) 11.437 13.502 ( 1.940 0.617 0.000) 2.035 13.662 ( -5.574 -0.323 0.000) 5.583 15.122 ( 27.544 9.043 0.000) 28.990 15.396 ( 33.092 -5.333 0.000) 33.519 16.640 ( 9.250 10.490 0.000) 13.986 17.108 ( 12.607 -18.292 0.000) 22.216 17.887 ( 12.170 11.821 0.000) 16.966 18.305 ( 11.342 -12.766 0.000) 17.077 ======================= Grid point 90 (61/219) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -7.641 -2.363 0.000) 7.998 3.256 ( -6.063 11.180 0.000) 12.718 3.367 ( -6.960 -2.407 0.000) 7.364 3.522 ( 1.160 -3.425 0.000) 3.616 4.242 ( -21.679 3.908 0.000) 22.029 4.575 ( -27.582 -0.375 0.000) 27.585 4.630 ( -14.196 11.270 0.000) 18.126 4.957 ( -31.510 -7.793 0.000) 32.459 5.205 ( -38.649 -10.045 0.000) 39.933 5.294 ( -15.906 -10.771 0.000) 19.209 6.414 ( -20.395 21.395 0.000) 29.559 6.857 ( -12.951 1.354 0.000) 13.022 7.263 ( -40.616 9.667 0.000) 41.750 7.604 ( -10.861 5.168 0.000) 12.028 7.626 ( -39.493 12.976 0.000) 41.570 8.404 ( -5.604 -21.835 0.000) 22.543 8.526 ( -13.983 -4.893 0.000) 14.815 8.565 ( -7.982 -4.512 0.000) 9.169 8.851 ( -1.104 -2.271 0.000) 2.525 8.953 ( -19.612 -8.605 0.000) 21.417 9.292 ( -2.416 -4.133 0.000) 4.788 9.466 ( -5.480 -9.255 0.000) 10.755 9.884 ( -3.039 -0.076 0.000) 3.040 10.122 ( -21.188 -0.831 0.000) 21.204 10.130 ( 8.715 -4.607 0.000) 9.858 10.592 ( -2.957 -1.501 0.000) 3.316 11.014 ( -3.505 -7.459 0.000) 8.241 11.052 ( 3.954 0.632 0.000) 4.004 11.811 ( 4.307 -7.939 0.000) 9.032 11.985 ( -2.681 14.563 0.000) 14.808 12.325 ( 10.775 1.292 0.000) 10.852 12.506 ( -0.437 2.401 0.000) 2.441 12.561 ( 2.053 -7.317 0.000) 7.600 13.487 ( -5.662 1.903 0.000) 5.974 13.557 ( 11.044 7.378 0.000) 13.282 13.582 ( 0.117 -1.586 0.000) 1.590 15.479 ( 15.809 13.715 0.000) 20.929 16.055 ( 27.028 -13.036 0.000) 30.007 16.775 ( 10.720 11.002 0.000) 15.361 17.547 ( 20.504 -16.815 0.000) 26.517 18.043 ( 11.340 12.939 0.000) 17.205 18.610 ( 11.026 -13.765 0.000) 17.636 ======================= Grid point 91 (62/219) ======================= q-point: (-0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( -9.462 0.518 0.000) 9.476 3.047 ( -5.997 18.123 0.000) 19.090 3.199 ( -13.093 6.825 0.000) 14.765 3.544 ( -2.164 -2.845 0.000) 3.575 3.829 ( -18.009 -4.459 0.000) 18.553 4.033 ( -25.851 0.040 0.000) 25.851 4.140 ( -40.360 -6.704 0.000) 40.913 4.373 ( -11.005 11.972 0.000) 16.261 4.481 ( -37.436 -9.294 0.000) 38.573 5.220 ( -6.278 -16.704 0.000) 17.845 5.852 ( -30.267 7.761 0.000) 31.247 6.193 ( -52.888 6.769 0.000) 53.320 6.376 ( -25.691 23.854 0.000) 35.058 7.004 ( -12.725 3.277 0.000) 13.140 7.476 ( -0.865 10.576 0.000) 10.611 8.197 ( -21.033 -2.249 0.000) 21.152 8.405 ( -18.182 5.153 0.000) 18.898 8.459 ( -1.776 -13.340 0.000) 13.457 8.726 ( -5.273 -20.350 0.000) 21.022 8.954 ( 4.708 -13.309 0.000) 14.117 9.225 ( -6.339 -3.342 0.000) 7.166 9.434 ( -4.390 -14.497 0.000) 15.147 9.712 ( -19.832 -1.277 0.000) 19.873 9.894 ( 3.643 0.000 0.000) 3.643 10.362 ( 11.408 -2.910 0.000) 11.773 10.615 ( 3.369 -3.866 0.000) 5.129 11.010 ( -2.765 -11.924 0.000) 12.241 11.074 ( -0.982 3.852 0.000) 3.975 11.855 ( 0.410 18.754 0.000) 18.758 11.931 ( 2.400 -10.172 0.000) 10.452 12.502 ( 6.474 -2.711 0.000) 7.019 12.508 ( 1.656 2.413 0.000) 2.927 12.621 ( 0.362 -1.471 0.000) 1.515 13.353 ( -5.609 -1.947 0.000) 5.937 13.618 ( 1.877 -0.028 0.000) 1.877 13.701 ( 8.717 10.396 0.000) 13.567 15.619 ( 7.166 11.571 0.000) 13.610 16.591 ( 16.781 -19.162 0.000) 25.471 16.904 ( 9.368 13.156 0.000) 16.151 18.069 ( 22.529 -10.370 0.000) 24.801 18.174 ( 9.488 12.733 0.000) 15.879 18.890 ( 8.790 -12.999 0.000) 15.692 ======================= Grid point 92 (63/219) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -17.404 13.968 0.000) 22.316 2.782 ( -12.500 3.451 0.000) 12.967 2.822 ( -2.994 24.363 0.000) 24.546 3.231 ( -28.905 1.467 0.000) 28.942 3.541 ( -15.359 -0.652 0.000) 15.373 3.690 ( -9.174 -6.595 0.000) 11.299 3.695 ( -5.740 -6.360 0.000) 8.568 3.967 ( -16.149 -1.560 0.000) 16.224 4.206 ( -0.862 6.705 0.000) 6.760 4.983 ( -29.825 -2.131 0.000) 29.901 5.110 ( -36.408 0.243 0.000) 36.409 5.477 ( -11.383 -9.911 0.000) 15.093 5.925 ( -4.925 25.161 0.000) 25.638 6.880 ( -2.894 -2.881 0.000) 4.084 7.409 ( 0.546 11.262 0.000) 11.275 7.770 ( -19.424 4.646 0.000) 19.972 7.944 ( -19.354 9.270 0.000) 21.459 8.493 ( -0.666 -7.032 0.000) 7.063 8.835 ( 0.685 -21.180 0.000) 21.191 9.055 ( -3.145 -4.008 0.000) 5.095 9.193 ( 1.167 -13.290 0.000) 13.341 9.400 ( -12.155 -3.373 0.000) 12.615 9.472 ( -1.894 -18.260 0.000) 18.358 9.983 ( 3.846 -1.684 0.000) 4.198 10.590 ( 9.905 -1.905 0.000) 10.087 10.755 ( 6.973 -6.525 0.000) 9.550 10.968 ( -5.107 9.977 0.000) 11.208 11.041 ( -2.962 -16.218 0.000) 16.486 11.778 ( 2.061 17.235 0.000) 17.357 12.026 ( 0.661 -11.477 0.000) 11.496 12.532 ( 1.695 1.240 0.000) 2.100 12.539 ( -4.482 -2.241 0.000) 5.011 12.652 ( 4.479 2.874 0.000) 5.322 13.319 ( -0.811 -5.805 0.000) 5.861 13.645 ( 1.002 0.783 0.000) 1.272 13.767 ( 4.797 12.674 0.000) 13.551 15.652 ( 2.796 8.661 0.000) 9.101 16.862 ( 0.541 -8.279 0.000) 8.297 17.046 ( 11.335 2.220 0.000) 11.550 18.251 ( 5.567 12.480 0.000) 13.665 18.497 ( 14.639 -5.637 0.000) 15.687 19.102 ( 4.878 -12.202 0.000) 13.141 ======================= Grid point 93 (64/219) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 0.000 27.387 0.000) 27.387 2.653 ( 0.000 32.438 0.000) 32.438 2.728 ( -0.000 -8.972 0.000) 8.972 2.857 ( 0.000 0.009 0.000) 0.009 3.367 ( 0.000 1.902 0.000) 1.902 3.644 ( -0.000 -10.540 0.000) 10.540 3.675 ( -0.000 -0.798 0.000) 0.798 3.795 ( 0.000 18.448 0.000) 18.448 4.224 ( -0.000 -1.358 0.000) 1.358 4.580 ( 0.000 2.335 0.000) 2.335 4.687 ( 0.000 2.201 0.000) 2.201 5.489 ( -0.000 -13.497 0.000) 13.497 5.793 ( 0.000 8.189 0.000) 8.189 6.878 ( -0.000 -4.204 0.000) 4.204 7.353 ( 0.000 10.470 0.000) 10.470 7.497 ( 0.000 10.527 0.000) 10.527 7.661 ( 0.000 12.340 0.000) 12.340 8.523 ( -0.000 -4.854 0.000) 4.854 8.972 ( -0.000 -21.574 0.000) 21.574 9.023 ( -0.000 -1.836 0.000) 1.836 9.247 ( 0.000 0.110 0.000) 0.110 9.342 ( -0.000 -14.335 0.000) 14.335 9.572 ( -0.000 -20.435 0.000) 20.435 10.042 ( -0.000 -4.165 0.000) 4.165 10.768 ( -0.000 -9.038 0.000) 9.038 10.771 ( 0.000 21.571 0.000) 21.571 10.897 ( -0.000 -7.887 0.000) 7.887 11.104 ( -0.000 -19.953 0.000) 19.953 11.704 ( 0.000 15.105 0.000) 15.105 12.105 ( -0.000 -13.704 0.000) 13.704 12.484 ( 0.000 0.533 0.000) 0.533 12.547 ( 0.000 0.494 0.000) 0.494 12.689 ( 0.000 1.551 0.000) 1.551 13.353 ( -0.000 -5.567 0.000) 5.567 13.648 ( 0.000 1.319 0.000) 1.319 13.734 ( 0.000 14.361 0.000) 14.361 15.634 ( 0.000 6.466 0.000) 6.466 16.849 ( 0.000 7.474 0.000) 7.474 17.200 ( -0.000 -10.956 0.000) 10.956 18.232 ( 0.000 12.481 0.000) 12.481 18.677 ( -0.000 -4.422 0.000) 4.422 19.224 ( -0.000 -11.983 0.000) 11.983 ======================= Grid point 104 (65/219) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( -3.820 0.000 0.000) 3.820 3.453 ( 2.060 -0.000 0.000) 2.060 3.457 ( -4.454 0.000 0.000) 4.454 3.529 ( -10.145 0.000 0.000) 10.145 4.715 ( -19.391 0.000 0.000) 19.391 5.066 ( -22.422 0.000 0.000) 22.422 5.069 ( -11.281 0.000 0.000) 11.281 5.110 ( -13.410 0.000 0.000) 13.410 5.759 ( -26.552 0.000 0.000) 26.552 5.782 ( -27.561 0.000 0.000) 27.561 7.028 ( -8.207 0.000 0.000) 8.207 7.054 ( -17.958 0.000 0.000) 17.958 7.778 ( -9.552 0.000 0.000) 9.552 7.816 ( -4.893 0.000 0.000) 4.893 8.053 ( -5.390 0.000 0.000) 5.390 8.487 ( -6.511 0.000 0.000) 6.511 8.934 ( -7.351 0.000 0.000) 7.351 9.015 ( -43.621 0.000 0.000) 43.621 9.037 ( -23.521 0.000 0.000) 23.521 9.262 ( -32.899 0.000 0.000) 32.899 9.284 ( -4.481 0.000 0.000) 4.481 9.465 ( 0.127 -0.000 0.000) 0.127 9.982 ( -6.172 0.000 0.000) 6.172 9.994 ( -3.139 0.000 0.000) 3.139 10.490 ( -16.116 0.000 0.000) 16.116 10.713 ( -9.175 0.000 0.000) 9.175 10.969 ( 3.141 -0.000 0.000) 3.141 11.032 ( -4.282 0.000 0.000) 4.282 11.637 ( 5.815 -0.000 0.000) 5.815 12.109 ( 13.307 -0.000 0.000) 13.307 12.141 ( 0.005 -0.000 0.000) 0.005 12.456 ( 0.065 -0.000 0.000) 0.065 12.596 ( -7.294 0.000 0.000) 7.294 13.393 ( 11.377 -0.000 0.000) 11.377 13.506 ( 2.235 -0.000 0.000) 2.235 13.660 ( -5.806 0.000 0.000) 5.806 15.196 ( 32.481 -0.000 0.000) 32.481 15.343 ( 27.461 -0.000 0.000) 27.461 16.743 ( 10.496 -0.000 0.000) 10.496 16.960 ( 12.178 -0.000 0.000) 12.178 17.980 ( 12.917 -0.000 0.000) 12.917 18.206 ( 10.674 -0.000 0.000) 10.674 ======================= Grid point 106 (66/219) ======================= q-point: (-0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( -2.938 0.153 0.000) 2.942 3.328 ( -9.926 -2.595 0.000) 10.260 3.353 ( -4.593 4.503 0.000) 6.433 3.490 ( 0.928 -1.730 0.000) 1.964 4.288 ( -22.873 2.629 0.000) 23.023 4.569 ( -27.286 -0.366 0.000) 27.288 4.746 ( -20.362 6.768 0.000) 21.457 4.886 ( -15.915 -3.798 0.000) 16.362 5.117 ( -38.765 -4.060 0.000) 38.977 5.189 ( -26.018 -5.566 0.000) 26.607 6.614 ( -24.385 9.908 0.000) 26.321 6.858 ( -10.005 -0.723 0.000) 10.031 7.344 ( -44.831 3.572 0.000) 44.973 7.654 ( -3.823 2.572 0.000) 4.608 7.822 ( -31.843 19.825 0.000) 37.509 8.108 ( -11.722 -25.160 0.000) 27.757 8.486 ( -13.626 -1.705 0.000) 13.732 8.505 ( -12.216 -3.696 0.000) 12.763 8.852 ( -2.094 0.879 0.000) 2.271 8.901 ( -17.894 -1.429 0.000) 17.951 9.252 ( -1.290 -2.036 0.000) 2.411 9.385 ( -7.101 -3.670 0.000) 7.993 9.884 ( -2.925 0.016 0.000) 2.925 10.090 ( 9.892 -1.748 0.000) 10.046 10.115 ( -21.124 -0.328 0.000) 21.126 10.581 ( -3.652 -0.437 0.000) 3.678 10.954 ( -4.179 -2.477 0.000) 4.858 11.057 ( 4.482 0.232 0.000) 4.488 11.746 ( 4.176 -2.762 0.000) 5.006 12.139 ( 1.855 9.532 0.000) 9.711 12.314 ( 5.642 -2.931 0.000) 6.358 12.490 ( 4.217 -3.514 0.000) 5.489 12.525 ( -0.538 0.856 0.000) 1.011 13.507 ( -8.107 1.244 0.000) 8.202 13.564 ( 2.150 -1.181 0.000) 2.453 13.618 ( 11.541 2.591 0.000) 11.829 15.659 ( 16.456 15.828 0.000) 22.833 15.868 ( 22.805 -16.599 0.000) 28.206 16.912 ( 10.200 8.806 0.000) 13.475 17.374 ( 24.967 -9.913 0.000) 26.863 18.186 ( 11.110 9.291 0.000) 14.483 18.461 ( 11.522 -9.589 0.000) 14.990 ======================= Grid point 107 (67/219) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( -6.062 7.774 0.000) 9.858 3.202 ( -7.291 -5.861 0.000) 9.354 3.223 ( -4.008 10.785 0.000) 11.506 3.504 ( -1.701 -3.391 0.000) 3.794 3.811 ( -22.541 1.413 0.000) 22.585 4.032 ( -26.078 -0.146 0.000) 26.078 4.069 ( -41.720 -4.509 0.000) 41.963 4.358 ( -39.148 -9.466 0.000) 40.276 4.552 ( -9.119 16.978 0.000) 19.272 5.008 ( -7.151 -18.297 0.000) 19.644 5.925 ( -40.595 4.053 0.000) 40.797 6.258 ( -55.435 3.852 0.000) 55.569 6.620 ( -11.109 13.001 0.000) 17.100 7.133 ( -17.407 19.158 0.000) 25.885 7.592 ( -0.030 7.952 0.000) 7.952 8.176 ( -13.657 -6.501 0.000) 15.125 8.209 ( -4.775 -20.646 0.000) 21.191 8.451 ( -10.436 1.236 0.000) 10.509 8.530 ( -11.003 -10.510 0.000) 15.216 8.856 ( 1.704 -3.440 0.000) 3.839 9.190 ( -6.459 -2.345 0.000) 6.872 9.292 ( -5.499 -8.673 0.000) 10.269 9.700 ( -19.933 -0.575 0.000) 19.941 9.899 ( 4.039 0.497 0.000) 4.069 10.325 ( 11.455 -2.575 0.000) 11.741 10.579 ( 2.496 -1.974 0.000) 3.182 10.903 ( -3.497 -5.954 0.000) 6.905 11.111 ( 1.350 2.191 0.000) 2.574 11.838 ( 2.821 -5.277 0.000) 5.984 12.077 ( 0.821 17.715 0.000) 17.734 12.421 ( 2.262 -10.015 0.000) 10.267 12.530 ( 1.137 1.337 0.000) 1.756 12.625 ( 6.468 1.114 0.000) 6.563 13.331 ( -8.461 -1.555 0.000) 8.603 13.617 ( 2.318 -0.156 0.000) 2.323 13.798 ( 8.937 5.564 0.000) 10.527 15.771 ( 5.820 12.982 0.000) 14.227 16.359 ( 15.398 -17.864 0.000) 23.585 17.046 ( 8.759 9.208 0.000) 12.709 17.961 ( 26.757 -7.125 0.000) 27.689 18.322 ( 8.944 11.265 0.000) 14.384 18.740 ( 9.659 -11.416 0.000) 14.954 ======================= Grid point 108 (68/219) ======================= q-point: (-0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( -5.465 9.689 0.000) 11.123 2.921 ( -18.073 13.761 0.000) 22.716 3.054 ( -6.881 14.207 0.000) 15.786 3.247 ( -23.917 0.988 0.000) 23.938 3.498 ( -11.794 -6.878 0.000) 13.652 3.607 ( -4.242 -7.089 0.000) 8.261 3.622 ( -13.818 -3.140 0.000) 14.171 3.840 ( -17.938 -16.904 0.000) 24.648 4.343 ( -1.779 15.240 0.000) 15.344 4.921 ( -17.705 -8.834 0.000) 19.786 5.110 ( -35.718 0.096 0.000) 35.718 5.372 ( -25.014 -6.971 0.000) 25.967 6.303 ( -5.412 31.989 0.000) 32.443 6.882 ( -3.881 5.538 0.000) 6.762 7.544 ( 0.734 10.546 0.000) 10.572 7.827 ( -15.317 4.358 0.000) 15.925 8.041 ( -17.516 6.485 0.000) 18.679 8.339 ( -0.299 -19.911 0.000) 19.913 8.612 ( 1.433 -15.316 0.000) 15.383 8.954 ( 2.885 -11.500 0.000) 11.856 9.073 ( -5.827 -4.473 0.000) 7.346 9.279 ( -2.529 -13.282 0.000) 13.520 9.378 ( -12.336 -0.842 0.000) 12.364 9.982 ( 3.767 1.118 0.000) 3.929 10.543 ( 8.017 -4.314 0.000) 9.104 10.687 ( 5.811 -4.641 0.000) 7.437 10.885 ( -3.260 -9.632 0.000) 10.169 11.081 ( -1.319 7.681 0.000) 7.794 11.918 ( 1.436 -6.701 0.000) 6.853 11.988 ( 0.905 16.770 0.000) 16.795 12.495 ( -0.220 -4.800 0.000) 4.805 12.544 ( 0.869 0.823 0.000) 1.197 12.698 ( 3.004 4.452 0.000) 5.370 13.238 ( -3.242 -7.324 0.000) 8.009 13.651 ( 1.191 0.323 0.000) 1.234 13.894 ( 4.850 8.275 0.000) 9.592 15.774 ( 2.280 11.186 0.000) 11.416 16.669 ( 5.113 -17.945 0.000) 18.659 17.144 ( 6.467 8.662 0.000) 10.810 18.396 ( 5.246 11.456 0.000) 12.600 18.436 ( 16.498 -4.341 0.000) 17.059 18.960 ( 5.397 -11.266 0.000) 12.492 ======================= Grid point 109 (69/219) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 0.000 22.320 0.000) 22.320 2.695 ( 0.000 4.219 0.000) 4.219 2.856 ( -0.000 -0.069 0.000) 0.069 2.984 ( 0.000 22.170 0.000) 22.170 3.379 ( -0.000 -0.801 0.000) 0.801 3.523 ( -0.000 -8.820 0.000) 8.820 3.624 ( -0.000 -6.706 0.000) 6.706 3.812 ( -0.000 -13.748 0.000) 13.748 4.284 ( 0.000 11.018 0.000) 11.018 4.604 ( 0.000 1.697 0.000) 1.697 4.709 ( 0.000 1.478 0.000) 1.478 5.304 ( -0.000 -17.282 0.000) 17.282 6.055 ( 0.000 32.225 0.000) 32.225 6.839 ( -0.000 -1.146 0.000) 1.146 7.489 ( 0.000 11.511 0.000) 11.511 7.614 ( 0.000 8.756 0.000) 8.756 7.798 ( 0.000 10.020 0.000) 10.020 8.430 ( -0.000 -12.163 0.000) 12.163 8.728 ( -0.000 -18.230 0.000) 18.230 9.001 ( -0.000 -1.732 0.000) 1.732 9.122 ( -0.000 -20.331 0.000) 20.331 9.248 ( 0.000 0.083 0.000) 0.083 9.346 ( -0.000 -16.689 0.000) 16.689 10.016 ( 0.000 0.013 0.000) 0.013 10.669 ( -0.000 -7.327 0.000) 7.327 10.811 ( -0.000 -6.213 0.000) 6.213 10.899 ( -0.000 -13.850 0.000) 13.850 10.989 ( 0.000 14.329 0.000) 14.329 11.902 ( 0.000 16.685 0.000) 16.685 11.975 ( -0.000 -8.222 0.000) 8.222 12.489 ( 0.000 0.288 0.000) 0.288 12.552 ( 0.000 0.266 0.000) 0.266 12.709 ( 0.000 2.306 0.000) 2.306 13.265 ( -0.000 -8.906 0.000) 8.906 13.660 ( 0.000 0.660 0.000) 0.660 13.886 ( 0.000 10.682 0.000) 10.682 15.733 ( 0.000 9.880 0.000) 9.880 16.803 ( -0.000 -13.423 0.000) 13.423 17.175 ( 0.000 5.360 0.000) 5.360 18.380 ( 0.000 11.890 0.000) 11.890 18.627 ( -0.000 -3.742 0.000) 3.742 19.081 ( -0.000 -11.492 0.000) 11.492 ======================= Grid point 122 (70/219) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( -1.776 0.000 0.000) 1.776 3.128 ( -8.146 0.000 0.000) 8.146 3.292 ( -2.991 0.000 0.000) 2.991 3.479 ( -2.121 0.000 0.000) 2.121 3.829 ( -23.375 0.000 0.000) 23.375 4.031 ( -26.197 0.000 0.000) 26.197 4.041 ( -41.877 0.000 0.000) 41.877 4.293 ( -40.948 0.000 0.000) 40.948 4.735 ( -5.487 0.000 0.000) 5.487 4.817 ( -10.614 0.000 0.000) 10.614 5.949 ( -43.603 0.000 0.000) 43.603 6.282 ( -56.363 0.000 0.000) 56.363 6.687 ( -7.587 0.000 0.000) 7.587 7.322 ( -18.446 0.000 0.000) 18.446 7.644 ( 0.262 -0.000 0.000) 0.262 7.975 ( 0.498 -0.000 0.000) 0.498 8.183 ( -16.688 0.000 0.000) 16.688 8.426 ( 1.298 -0.000 0.000) 1.298 8.496 ( -21.931 0.000 0.000) 21.931 8.841 ( 0.245 -0.000 0.000) 0.245 9.175 ( -6.301 0.000 0.000) 6.301 9.238 ( -5.873 0.000 0.000) 5.873 9.697 ( -19.947 0.000 0.000) 19.947 9.902 ( 4.346 -0.000 0.000) 4.346 10.309 ( 11.399 -0.000 0.000) 11.399 10.567 ( 2.160 -0.000 0.000) 2.160 10.867 ( -3.735 0.000 0.000) 3.735 11.125 ( 2.156 -0.000 0.000) 2.156 11.806 ( 3.000 -0.000 0.000) 3.000 12.263 ( -4.387 0.000 0.000) 4.387 12.282 ( 7.120 -0.000 0.000) 7.120 12.539 ( 0.951 -0.000 0.000) 0.951 12.633 ( 7.947 -0.000 0.000) 7.947 13.321 ( -9.765 0.000 0.000) 9.765 13.616 ( 2.497 -0.000 0.000) 2.497 13.832 ( 8.999 -0.000 0.000) 8.999 15.875 ( 3.556 -0.000 0.000) 3.556 16.225 ( 17.179 -0.000 0.000) 17.179 17.105 ( 7.386 -0.000 0.000) 7.386 17.915 ( 28.934 -0.000 0.000) 28.934 18.407 ( 8.109 -0.000 0.000) 8.109 18.653 ( 10.612 -0.000 0.000) 10.612 ======================= Grid point 124 (71/219) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( -3.669 12.332 0.000) 12.866 3.022 ( -7.617 0.779 0.000) 7.657 3.167 ( -22.874 4.737 0.000) 23.359 3.253 ( -6.979 0.153 0.000) 6.980 3.429 ( -14.582 -1.667 0.000) 14.677 3.543 ( -4.490 -3.001 0.000) 5.401 3.580 ( -18.299 -6.760 0.000) 19.507 3.662 ( -21.649 -7.036 0.000) 22.763 4.552 ( -2.354 18.640 0.000) 18.788 4.768 ( -6.409 -16.100 0.000) 17.329 5.112 ( -35.726 0.149 0.000) 35.726 5.318 ( -36.613 -2.102 0.000) 36.673 6.548 ( -4.214 7.689 0.000) 8.768 7.054 ( -4.785 17.758 0.000) 18.391 7.641 ( 0.657 4.668 0.000) 4.714 7.866 ( -13.354 1.788 0.000) 13.474 8.059 ( 0.677 -20.173 0.000) 20.185 8.093 ( -16.378 2.104 0.000) 16.513 8.483 ( 1.872 -5.626 0.000) 5.930 8.861 ( 0.958 -3.507 0.000) 3.635 9.043 ( -6.025 -1.080 0.000) 6.121 9.166 ( -2.847 -4.993 0.000) 5.748 9.372 ( -12.063 -0.159 0.000) 12.065 9.996 ( 4.102 0.800 0.000) 4.179 10.504 ( 7.267 -1.798 0.000) 7.486 10.648 ( 4.951 -1.672 0.000) 5.226 10.809 ( -3.228 -3.139 0.000) 4.503 11.143 ( 0.508 2.630 0.000) 2.679 11.864 ( 1.974 -2.234 0.000) 2.981 12.151 ( -2.385 8.616 0.000) 8.940 12.436 ( 4.808 -4.033 0.000) 6.276 12.551 ( 0.394 0.287 0.000) 0.487 12.747 ( 3.928 2.904 0.000) 4.885 13.161 ( -6.397 -4.169 0.000) 7.636 13.654 ( 1.309 0.090 0.000) 1.312 13.962 ( 4.849 2.855 0.000) 5.628 15.896 ( 1.532 7.157 0.000) 7.319 16.490 ( 6.636 -9.680 0.000) 11.736 17.218 ( 5.006 3.291 0.000) 5.991 18.399 ( 17.748 -1.675 0.000) 17.827 18.511 ( 4.564 6.397 0.000) 7.858 18.846 ( 6.189 -6.330 0.000) 8.852 ======================= Grid point 125 (72/219) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 0.000 15.296 0.000) 15.296 2.826 ( 0.000 16.543 0.000) 16.543 2.855 ( -0.000 -0.062 0.000) 0.062 3.182 ( 0.000 10.909 0.000) 10.909 3.325 ( -0.000 -7.361 0.000) 7.361 3.462 ( -0.000 -1.530 0.000) 1.530 3.543 ( -0.000 -5.892 0.000) 5.892 3.551 ( -0.000 -25.831 0.000) 25.831 4.468 ( 0.000 18.093 0.000) 18.093 4.620 ( 0.000 0.887 0.000) 0.887 4.723 ( 0.000 0.737 0.000) 0.737 5.080 ( -0.000 -19.272 0.000) 19.272 6.421 ( 0.000 21.369 0.000) 21.369 6.906 ( 0.000 15.048 0.000) 15.048 7.611 ( 0.000 8.002 0.000) 8.002 7.699 ( 0.000 5.054 0.000) 5.054 7.894 ( 0.000 5.671 0.000) 5.671 8.205 ( -0.000 -23.977 0.000) 23.977 8.551 ( -0.000 -10.546 0.000) 10.546 8.921 ( -0.000 -11.089 0.000) 11.089 8.984 ( -0.000 -1.105 0.000) 1.105 9.183 ( -0.000 -9.775 0.000) 9.775 9.249 ( 0.000 0.045 0.000) 0.045 10.030 ( 0.000 1.593 0.000) 1.593 10.598 ( -0.000 -4.160 0.000) 4.160 10.752 ( -0.000 -3.442 0.000) 3.442 10.774 ( -0.000 -6.908 0.000) 6.908 11.116 ( 0.000 6.983 0.000) 6.983 11.902 ( -0.000 -3.917 0.000) 3.917 12.074 ( 0.000 10.684 0.000) 10.684 12.491 ( 0.000 0.115 0.000) 0.115 12.554 ( 0.000 0.106 0.000) 0.106 12.754 ( 0.000 5.068 0.000) 5.068 13.147 ( -0.000 -9.890 0.000) 9.890 13.665 ( 0.000 0.288 0.000) 0.288 13.985 ( 0.000 5.628 0.000) 5.628 15.859 ( 0.000 10.085 0.000) 10.085 16.621 ( -0.000 -14.136 0.000) 14.136 17.247 ( 0.000 5.032 0.000) 5.032 18.510 ( 0.000 9.255 0.000) 9.255 18.590 ( -0.000 -2.210 0.000) 2.210 18.955 ( -0.000 -9.034 0.000) 9.034 ======================= Grid point 141 (73/219) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.325 ( -0.000 -0.000 0.000) 0.000 3.457 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 4.625 ( 0.000 0.000 0.000) 0.000 4.630 ( -0.000 -0.000 0.000) 0.000 4.727 ( 0.000 0.000 0.000) 0.000 4.913 ( 0.000 0.000 0.000) 0.000 6.529 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.662 ( -0.000 -0.000 0.000) 0.000 7.730 ( 0.000 0.000 0.000) 0.000 7.928 ( 0.000 0.000 0.000) 0.000 8.002 ( 0.000 0.000 0.000) 0.000 8.486 ( 0.000 0.000 0.000) 0.000 8.858 ( 0.000 0.000 0.000) 0.000 8.977 ( 0.000 0.000 0.000) 0.000 9.123 ( 0.000 0.000 0.000) 0.000 9.249 ( 0.000 0.000 0.000) 0.000 10.042 ( 0.000 0.000 0.000) 0.000 10.573 ( 0.000 0.000 0.000) 0.000 10.731 ( 0.000 0.000 0.000) 0.000 10.733 ( 0.000 0.000 0.000) 0.000 11.158 ( 0.000 0.000 0.000) 0.000 11.879 ( 0.000 0.000 0.000) 0.000 12.139 ( 0.000 0.000 0.000) 0.000 12.492 ( 0.000 0.000 0.000) 0.000 12.554 ( 0.000 0.000 0.000) 0.000 12.800 ( 0.000 0.000 0.000) 0.000 13.071 ( 0.000 0.000 0.000) 0.000 13.667 ( 0.000 0.000 0.000) 0.000 14.019 ( 0.000 0.000 0.000) 0.000 15.932 ( 0.000 0.000 0.000) 0.000 16.522 ( 0.000 0.000 0.000) 0.000 17.279 ( 0.000 0.000 0.000) 0.000 18.575 ( 0.000 0.000 0.000) 0.000 18.576 ( 0.000 0.000 0.000) 0.000 18.891 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 265 (74/219) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.000 0.000 37.417) 37.417 0.865 ( 0.000 0.000 44.952) 44.952 1.379 ( 0.000 0.000 71.638) 71.638 2.550 ( 0.000 0.000 -24.039) 24.039 3.096 ( 0.000 0.000 -28.848) 28.848 3.468 ( 0.000 0.000 14.144) 14.144 4.023 ( 0.000 0.000 -4.422) 4.422 4.337 ( 0.000 0.000 18.538) 18.538 4.472 ( 0.000 0.000 1.070) 1.070 4.530 ( 0.000 0.000 -0.490) 0.490 4.539 ( 0.000 0.000 -18.707) 18.707 5.518 ( 0.000 0.000 -30.178) 30.178 6.299 ( 0.000 0.000 1.895) 1.895 6.588 ( 0.000 0.000 -11.493) 11.493 7.083 ( 0.000 0.000 0.673) 0.673 7.143 ( 0.000 0.000 -0.779) 0.779 7.861 ( 0.000 0.000 36.114) 36.114 8.991 ( 0.000 0.000 0.851) 0.851 9.101 ( 0.000 0.000 1.627) 1.627 9.112 ( 0.000 0.000 4.576) 4.576 9.228 ( 0.000 0.000 -1.431) 1.431 9.382 ( 0.000 0.000 -6.715) 6.715 9.602 ( 0.000 0.000 -4.199) 4.199 9.781 ( 0.000 0.000 -8.211) 8.211 10.344 ( 0.000 0.000 3.757) 3.757 10.550 ( 0.000 0.000 -1.552) 1.552 11.163 ( 0.000 0.000 0.850) 0.850 11.238 ( 0.000 0.000 -0.963) 0.963 12.256 ( 0.000 0.000 2.509) 2.509 12.447 ( 0.000 0.000 0.693) 0.693 12.483 ( 0.000 0.000 6.078) 6.078 12.500 ( 0.000 0.000 -0.606) 0.606 12.821 ( 0.000 0.000 -14.385) 14.385 12.976 ( 0.000 0.000 -8.806) 8.806 13.550 ( 0.000 0.000 13.408) 13.408 13.591 ( 0.000 0.000 5.113) 5.113 15.616 ( 0.000 0.000 4.038) 4.038 16.179 ( 0.000 0.000 -8.193) 8.193 16.976 ( 0.000 0.000 7.974) 7.974 17.751 ( 0.000 0.000 -12.674) 12.674 19.839 ( 0.000 0.000 13.754) 13.754 20.658 ( 0.000 0.000 -7.672) 7.672 ======================= Grid point 266 (75/219) ======================= q-point: ( 0.06 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 25.304 2.723 31.675) 40.632 1.328 ( 28.336 -19.460 31.769) 46.807 2.045 ( 57.423 -13.513 39.465) 70.975 2.901 ( 28.123 0.009 -23.694) 36.774 3.143 ( 7.212 -1.655 -22.565) 23.747 3.678 ( 19.425 0.715 14.555) 24.284 4.146 ( -0.490 8.185 9.130) 12.272 4.347 ( 22.715 6.699 -3.637) 23.960 4.597 ( 10.006 2.458 -13.613) 17.073 4.747 ( 20.740 -4.348 -1.207) 21.225 4.772 ( 24.915 -6.071 -0.159) 25.645 5.584 ( 5.830 -2.949 -30.246) 30.944 6.013 ( -3.863 2.066 12.738) 13.471 6.583 ( -0.206 1.276 -12.377) 12.444 7.526 ( 23.951 -1.269 10.232) 26.076 7.947 ( 18.894 7.131 25.701) 32.686 8.599 ( 41.560 17.451 -34.681) 56.873 8.972 ( -3.772 3.354 6.029) 7.863 9.106 ( 15.667 18.528 -7.968) 25.539 9.219 ( 3.362 12.667 -4.946) 14.008 9.295 ( 8.328 -2.902 0.141) 8.820 9.477 ( 6.972 0.959 -5.112) 8.698 9.737 ( 3.274 -13.833 -13.386) 19.526 9.978 ( 10.660 -46.195 -22.044) 52.284 10.346 ( 0.923 1.674 2.989) 3.548 10.508 ( -2.975 4.263 -0.524) 5.225 11.161 ( 0.621 1.743 0.539) 1.927 11.313 ( 3.409 0.394 -4.358) 5.547 12.215 ( -1.944 5.565 2.639) 6.459 12.377 ( -1.195 1.950 -3.308) 4.022 12.417 ( -4.335 -1.923 0.760) 4.803 12.513 ( 0.034 2.491 2.053) 3.228 12.814 ( -1.889 -3.613 -12.820) 13.453 12.966 ( -2.910 2.055 -8.292) 9.025 13.568 ( 0.079 -0.134 11.832) 11.833 13.586 ( -0.075 -0.432 5.967) 5.983 15.558 ( -6.459 -0.124 4.447) 7.843 16.087 ( -9.501 -2.407 -7.446) 12.309 17.120 ( 7.555 -4.303 -10.937) 13.972 17.680 ( -6.276 2.580 -11.883) 13.684 19.745 ( -12.891 6.392 15.896) 21.441 19.803 ( -38.816 8.094 36.153) 53.659 ======================= Grid point 267 (76/219) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 32.628 -2.719 15.416) 36.189 1.996 ( 27.197 -23.285 24.598) 43.439 3.276 ( 20.798 4.998 -18.867) 28.522 3.308 ( 49.309 -5.858 13.911) 51.568 3.518 ( 21.197 -10.188 -18.634) 30.005 4.016 ( 11.387 4.415 10.355) 16.013 4.150 ( 7.956 3.938 8.932) 12.593 4.895 ( 36.160 14.311 -4.556) 39.155 5.048 ( 39.301 10.909 -3.684) 40.953 5.290 ( 26.692 -13.038 -8.441) 30.882 5.498 ( 40.751 -12.262 -0.551) 42.560 5.845 ( 22.169 -1.053 -18.227) 28.719 5.987 ( 2.230 0.897 8.617) 8.946 6.572 ( 0.609 1.943 -15.468) 15.602 7.677 ( 0.257 0.691 29.196) 29.205 8.510 ( 22.846 17.424 -1.985) 28.801 8.891 ( 3.359 10.367 9.419) 14.404 9.002 ( 12.572 -14.178 -8.656) 20.833 9.208 ( 8.534 13.756 -2.905) 16.447 9.308 ( 11.893 4.855 -1.432) 12.925 9.512 ( 10.093 -3.633 -0.142) 10.728 9.590 ( 7.605 3.797 -1.561) 8.642 9.882 ( 7.897 -4.833 -9.468) 13.243 10.321 ( 0.629 -6.060 -9.565) 11.341 10.380 ( 1.193 4.388 1.151) 4.690 10.404 ( 1.242 -6.780 -2.814) 7.445 11.169 ( 0.498 4.957 1.076) 5.097 11.281 ( -2.993 -3.249 0.395) 4.435 12.131 ( -2.631 8.172 3.263) 9.184 12.261 ( -8.202 1.233 1.037) 8.359 12.452 ( -2.814 7.868 -1.098) 8.428 12.500 ( 6.390 -2.778 -13.635) 15.312 12.790 ( -3.761 2.266 -11.287) 12.111 12.864 ( -4.138 -7.322 -1.602) 8.562 13.534 ( -2.319 1.716 10.004) 10.412 13.595 ( -0.435 -2.587 7.615) 8.054 15.368 ( -12.724 -1.347 5.888) 14.084 15.837 ( -19.024 -7.596 -6.856) 21.601 17.210 ( -0.732 -2.664 -18.758) 18.961 17.481 ( -11.337 4.757 -9.995) 15.845 19.121 ( -21.817 6.461 33.649) 40.620 19.552 ( -10.768 3.897 5.522) 12.713 ======================= Grid point 268 (77/219) ======================= q-point: ( 0.19 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 27.445 -5.416 7.190) 28.884 2.646 ( 24.903 -17.124 14.508) 33.524 3.509 ( 13.115 10.433 -18.146) 24.701 3.891 ( 6.019 -4.824 -9.744) 12.428 3.980 ( 17.327 -0.021 3.530) 17.683 4.266 ( 15.558 -1.162 0.704) 15.617 4.546 ( 33.366 -2.770 12.395) 35.701 5.447 ( 22.970 5.958 -11.963) 26.575 5.764 ( 27.739 8.949 -4.735) 29.529 5.860 ( 33.094 13.706 5.025) 36.171 6.136 ( 23.315 1.793 2.240) 23.491 6.401 ( 29.249 -6.348 -1.340) 29.960 6.486 ( 27.813 -9.740 3.497) 29.675 6.765 ( 34.847 -14.071 -20.507) 42.811 7.693 ( 3.710 0.804 23.656) 23.959 8.579 ( 0.648 11.183 -6.147) 12.778 8.881 ( -0.349 3.317 8.698) 9.315 9.100 ( -2.787 -5.470 -4.054) 7.357 9.346 ( 8.605 15.504 -2.034) 17.848 9.612 ( 6.918 -3.337 -2.692) 8.139 9.692 ( 7.182 -4.589 0.451) 8.535 9.808 ( 14.861 5.450 2.494) 16.024 10.086 ( 10.299 4.693 -7.779) 13.734 10.229 ( 3.648 6.877 0.811) 7.827 10.457 ( 7.423 1.046 1.073) 7.573 10.578 ( 8.991 -3.794 -2.644) 10.110 11.070 ( -5.050 0.565 4.982) 7.117 11.406 ( 11.169 -2.816 -5.396) 12.720 11.962 ( -9.727 9.107 0.852) 13.352 12.110 ( -4.467 6.734 6.530) 10.390 12.316 ( -5.925 2.778 -4.288) 7.823 12.614 ( 0.852 -1.965 -4.509) 4.992 12.636 ( -3.743 4.777 -5.633) 8.280 12.917 ( -0.183 -10.954 -1.097) 11.011 13.479 ( -1.227 2.693 5.424) 6.179 13.603 ( -0.240 -2.896 5.696) 6.394 15.092 ( -15.971 -2.602 6.032) 17.269 15.428 ( -27.538 -9.909 -4.857) 29.667 17.140 ( -7.673 -0.145 -16.219) 17.943 17.197 ( -13.099 3.939 -9.380) 16.585 18.730 ( -15.701 6.672 23.741) 29.235 19.302 ( -11.582 5.648 0.490) 12.896 ======================= Grid point 269 (78/219) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 17.913 -5.652 3.524) 19.111 3.130 ( 15.445 -8.775 4.565) 18.341 3.656 ( 6.388 6.513 -6.832) 11.398 3.896 ( 0.486 6.335 0.710) 6.394 4.413 ( 23.046 -5.215 -5.418) 24.242 4.570 ( 15.286 -3.022 -8.341) 17.674 5.145 ( 25.173 5.139 7.815) 26.855 5.720 ( 8.275 6.391 -11.562) 15.588 6.023 ( 12.172 -4.175 4.063) 13.494 6.377 ( 11.240 8.587 4.563) 14.863 6.635 ( 31.965 10.743 -2.023) 33.783 6.791 ( 29.931 3.252 -6.005) 30.700 7.232 ( 24.283 -9.103 14.546) 29.734 7.716 ( 35.169 -17.562 -1.388) 39.335 7.969 ( 30.295 -6.089 -0.134) 30.901 8.510 ( -1.195 8.023 -7.659) 11.156 8.815 ( -4.978 3.313 7.884) 9.894 9.003 ( -8.701 -0.883 -0.929) 8.795 9.469 ( 6.692 1.446 1.322) 6.973 9.527 ( -7.825 -2.557 2.741) 8.676 9.881 ( 13.372 0.593 0.109) 13.386 10.001 ( 10.255 10.109 0.539) 14.410 10.277 ( 10.917 14.415 -6.308) 19.151 10.372 ( 11.654 -1.410 -9.254) 14.948 10.651 ( 12.226 2.162 3.849) 12.998 10.785 ( 9.510 2.605 -0.566) 9.876 11.051 ( 4.719 0.794 6.402) 7.993 11.622 ( 5.518 -1.057 -9.793) 11.290 11.692 ( -11.836 5.656 -1.508) 13.205 11.973 ( -3.135 7.821 2.527) 8.796 12.243 ( -0.396 0.509 4.385) 4.433 12.473 ( -5.534 2.955 5.476) 8.327 12.719 ( 3.289 -1.173 -2.656) 4.387 12.933 ( -2.871 -9.068 4.170) 10.385 13.465 ( 0.943 2.595 -1.942) 3.376 13.624 ( 0.722 -2.279 0.404) 2.425 14.780 ( -17.894 -2.961 4.366) 18.656 14.893 ( -31.097 -9.825 -0.717) 32.620 16.849 ( -14.845 6.916 -4.966) 17.113 17.021 ( -8.667 -3.540 -16.704) 19.148 18.382 ( -15.464 8.183 19.040) 25.857 19.022 ( -13.007 7.386 -2.756) 15.209 ======================= Grid point 270 (79/219) ======================= q-point: ( 0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( 9.563 -4.835 2.115) 10.922 3.373 ( 6.692 -2.984 -1.969) 7.587 3.672 ( -0.729 3.789 1.404) 4.106 3.879 ( 1.114 7.109 -0.790) 7.239 4.862 ( 19.194 -0.592 -7.923) 20.774 4.985 ( 24.735 -4.879 -7.680) 26.355 5.488 ( 15.016 9.214 3.884) 18.041 5.757 ( 2.027 8.792 -3.639) 9.729 6.304 ( 10.413 -6.985 -0.652) 12.556 6.451 ( 2.946 -0.576 0.501) 3.043 7.192 ( 24.381 3.876 3.854) 24.986 7.305 ( 24.294 7.560 -0.549) 25.449 7.542 ( 10.455 2.108 13.972) 17.577 8.279 ( 8.172 -13.931 0.718) 16.167 8.418 ( 2.300 4.957 -7.245) 9.075 8.596 ( -2.012 5.659 1.066) 6.100 8.733 ( 15.774 -12.020 -4.221) 20.276 8.851 ( -6.801 -1.032 -2.942) 7.482 9.414 ( 6.867 -5.166 9.568) 12.861 9.767 ( 15.151 -4.777 -0.164) 15.887 10.061 ( 3.338 13.803 -1.002) 14.236 10.241 ( 22.304 1.005 1.675) 22.389 10.356 ( 6.405 9.925 -11.261) 16.320 10.652 ( 14.046 3.095 -3.589) 14.824 10.849 ( 8.274 4.630 7.056) 11.819 10.938 ( 10.941 3.391 -2.062) 11.639 11.170 ( 5.040 3.636 4.187) 7.494 11.460 ( -8.012 3.024 -1.777) 8.746 11.626 ( -0.535 1.612 -2.972) 3.423 11.950 ( 3.010 3.386 -9.091) 10.158 12.265 ( 2.971 4.405 9.501) 10.885 12.393 ( -2.437 -3.218 8.433) 9.350 12.677 ( -6.955 -1.470 8.744) 11.269 13.030 ( 7.853 -4.927 -2.810) 9.687 13.455 ( -1.202 1.844 -4.150) 4.698 13.645 ( -0.571 -1.390 -7.997) 8.137 14.286 ( -29.839 -8.727 6.020) 31.666 14.515 ( -14.331 -1.928 3.053) 14.779 16.525 ( -13.738 5.918 -2.095) 15.104 16.874 ( -8.246 -3.805 -16.786) 19.086 18.018 ( -16.261 8.356 17.499) 25.307 18.695 ( -15.245 8.435 -4.388) 17.967 ======================= Grid point 271 (80/219) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( 4.650 -4.292 1.056) 6.415 3.467 ( 2.259 -0.352 -4.037) 4.639 3.630 ( -0.904 1.870 3.969) 4.480 3.831 ( -1.338 7.456 -0.995) 7.640 5.227 ( 17.363 -0.257 -4.532) 17.946 5.473 ( 19.726 -2.673 -8.502) 21.646 5.662 ( 8.406 7.616 -0.615) 11.360 5.744 ( 2.741 7.483 -0.839) 8.013 6.475 ( 4.870 -4.064 -0.430) 6.358 6.533 ( 3.188 -2.549 0.111) 4.083 7.489 ( 9.408 3.074 5.842) 11.494 7.606 ( 3.323 4.374 4.210) 6.921 7.704 ( 11.524 6.004 3.669) 13.502 8.177 ( -8.587 -3.720 -2.186) 9.610 8.454 ( 2.632 2.830 1.082) 4.014 8.548 ( -6.225 -2.162 -5.331) 8.476 8.788 ( -1.225 -12.691 4.933) 13.671 9.032 ( 10.252 -2.290 -2.260) 10.745 9.786 ( 18.798 -6.356 2.757) 20.034 9.977 ( -2.326 12.891 -0.023) 13.100 10.106 ( 15.433 -3.551 -2.362) 16.012 10.412 ( 6.000 11.470 -12.448) 17.958 10.633 ( 13.424 3.407 1.852) 13.973 10.843 ( 8.993 -0.299 1.107) 9.066 10.957 ( 4.881 4.053 7.551) 9.863 11.075 ( 4.066 6.828 3.947) 8.873 11.248 ( 4.204 -1.896 -2.248) 5.131 11.368 ( -0.046 1.606 0.391) 1.654 11.690 ( 9.048 -0.319 -1.662) 9.205 12.009 ( 5.743 9.901 -7.326) 13.590 12.254 ( -2.722 3.258 5.784) 7.175 12.438 ( 3.847 -8.262 8.175) 12.243 12.564 ( -4.330 -2.587 8.306) 9.717 13.210 ( 3.285 -2.579 -9.722) 10.581 13.354 ( -7.854 -2.030 -4.793) 9.422 13.593 ( -3.060 -0.928 -6.939) 7.640 13.918 ( -9.519 -4.368 11.624) 15.646 14.281 ( -9.551 0.836 1.851) 9.765 16.250 ( -10.678 4.171 0.194) 11.466 16.744 ( -6.957 -2.575 -17.881) 19.359 17.658 ( -15.086 6.149 17.532) 23.933 18.334 ( -15.804 7.869 -4.765) 18.287 ======================= Grid point 272 (81/219) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( 2.124 -4.174 -0.363) 4.697 3.472 ( -0.382 3.355 -3.160) 4.625 3.635 ( 0.884 -3.178 3.452) 4.775 3.755 ( -1.623 7.068 0.584) 7.275 5.522 ( 11.177 -0.750 -4.160) 11.950 5.685 ( 2.807 1.076 -3.884) 4.911 5.754 ( 5.308 4.259 -1.408) 6.950 5.828 ( 6.510 2.795 -1.500) 7.241 6.530 ( -1.667 -0.888 0.296) 1.912 6.646 ( 8.128 -1.688 -5.801) 10.127 7.498 ( -6.155 3.617 3.293) 7.862 7.572 ( -0.324 1.519 3.466) 3.798 7.809 ( 3.066 1.878 1.890) 4.062 8.167 ( 3.105 -1.691 -3.440) 4.933 8.400 ( -7.957 -5.264 2.372) 9.831 8.545 ( 5.418 0.874 1.394) 5.662 8.841 ( -0.098 -4.851 7.781) 9.170 9.210 ( 6.301 -0.863 -2.866) 6.976 9.838 ( -3.352 7.674 0.913) 8.423 10.109 ( 7.690 -11.940 -3.544) 14.638 10.343 ( 6.514 10.127 -5.592) 13.276 10.505 ( 10.427 3.428 -5.230) 12.159 10.735 ( 3.823 4.858 1.398) 6.338 10.964 ( -1.691 -3.001 -3.357) 4.810 11.007 ( 2.702 2.296 4.790) 5.960 11.100 ( 4.048 4.724 3.823) 7.302 11.265 ( -2.436 1.289 3.986) 4.846 11.427 ( 5.515 1.123 8.073) 9.841 11.909 ( 6.129 -3.878 -1.027) 7.325 12.072 ( 8.843 8.759 -8.629) 15.145 12.161 ( -3.651 0.888 2.004) 4.259 12.524 ( -2.527 -1.338 6.079) 6.718 12.567 ( 2.149 -6.649 6.912) 9.829 13.021 ( -11.763 -5.515 -14.388) 19.385 13.397 ( 3.255 0.601 -0.382) 3.332 13.641 ( 5.812 -2.769 2.263) 6.825 13.844 ( -2.115 0.261 3.598) 4.182 14.137 ( -3.896 2.184 1.106) 4.601 16.068 ( -5.549 2.080 1.483) 6.109 16.632 ( -5.065 -0.377 -18.728) 19.405 17.384 ( -9.162 2.351 17.527) 19.916 18.016 ( -11.240 5.102 -4.370) 13.094 ======================= Grid point 273 (82/219) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.427 ( 0.000 -0.000 -1.564) 1.564 3.436 ( -0.000 0.000 -1.834) 1.834 3.679 ( 0.000 -0.000 2.267) 2.267 3.694 ( -0.000 0.000 1.973) 1.973 5.635 ( 0.000 -0.000 -6.419) 6.419 5.705 ( 0.000 -0.000 -2.453) 2.453 5.821 ( 0.000 -0.000 -0.389) 0.389 5.861 ( 0.000 -0.000 0.902) 0.902 6.503 ( 0.000 -0.000 0.976) 0.976 6.758 ( 0.000 0.000 -11.688) 11.688 7.406 ( 0.000 -0.000 4.089) 4.089 7.551 ( 0.000 -0.000 1.574) 1.574 7.842 ( 0.000 -0.000 2.365) 2.365 8.200 ( 0.000 -0.000 -7.798) 7.798 8.344 ( 0.000 -0.000 10.388) 10.388 8.601 ( 0.000 -0.000 1.580) 1.580 8.850 ( 0.000 -0.000 8.213) 8.213 9.275 ( 0.000 -0.000 -3.704) 3.704 9.779 ( 0.000 -0.000 1.940) 1.940 10.247 ( 0.000 -0.000 -14.268) 14.268 10.325 ( 0.000 0.000 2.983) 2.983 10.635 ( 0.000 0.000 -0.823) 0.823 10.792 ( 0.000 0.000 -1.999) 1.999 10.896 ( 0.000 -0.000 -4.985) 4.985 11.029 ( 0.000 0.000 3.648) 3.648 11.141 ( 0.000 -0.000 -1.178) 1.178 11.221 ( 0.000 -0.000 12.705) 12.705 11.482 ( 0.000 -0.000 8.593) 8.593 11.953 ( 0.000 -0.000 2.716) 2.716 12.120 ( 0.000 -0.000 -2.076) 2.076 12.196 ( 0.000 -0.000 -13.324) 13.324 12.462 ( 0.000 0.000 9.615) 9.615 12.603 ( 0.000 -0.000 6.508) 6.508 12.940 ( 0.000 -0.000 -14.659) 14.659 13.424 ( 0.000 -0.000 1.708) 1.708 13.750 ( 0.000 0.000 11.188) 11.188 13.798 ( 0.000 -0.000 -6.734) 6.734 14.096 ( 0.000 -0.000 0.676) 0.676 16.008 ( 0.000 -0.000 1.756) 1.756 16.575 ( 0.000 -0.000 -18.386) 18.386 17.287 ( 0.000 -0.000 16.850) 16.850 17.880 ( 0.000 -0.000 -4.018) 4.018 ======================= Grid point 283 (83/219) ======================= q-point: ( 0.06 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 35.770 -0.000 19.823) 40.895 1.787 ( 27.529 -0.000 25.304) 37.392 3.246 ( 56.790 -0.000 15.826) 58.954 3.364 ( 17.046 -0.000 -16.510) 23.731 3.423 ( 20.978 -0.000 -22.499) 30.762 4.039 ( 12.971 -0.000 8.619) 15.574 4.183 ( 3.907 -0.000 10.148) 10.874 5.024 ( 41.781 -0.000 -5.634) 42.159 5.113 ( 33.732 -0.000 -7.063) 34.464 5.186 ( 32.097 -0.000 -6.844) 32.818 5.402 ( 37.877 -0.000 0.634) 37.882 5.835 ( 21.923 -0.000 -22.287) 31.262 5.997 ( 0.940 -0.000 11.600) 11.638 6.585 ( 0.070 -0.000 -13.650) 13.650 7.681 ( 0.538 -0.000 29.895) 29.899 8.704 ( 28.393 -0.000 1.754) 28.447 8.795 ( 0.257 -0.000 -7.113) 7.118 9.011 ( 17.835 -0.000 13.113) 22.137 9.172 ( -3.582 0.000 -2.174) 4.190 9.462 ( 5.268 -0.000 -5.977) 7.967 9.473 ( 8.306 -0.000 1.206) 8.393 9.666 ( 6.993 -0.000 -3.656) 7.891 9.839 ( 10.864 -0.000 -15.286) 18.753 10.179 ( 16.121 -0.000 -19.575) 25.359 10.399 ( 4.462 -0.000 2.117) 4.939 10.427 ( -6.373 0.000 2.583) 6.876 11.213 ( 4.880 -0.000 -1.801) 5.202 11.249 ( -8.349 0.000 3.094) 8.903 12.176 ( -3.219 0.000 2.426) 4.031 12.268 ( -8.216 0.000 3.782) 9.044 12.476 ( 3.996 -0.000 -13.564) 14.141 12.535 ( 1.214 -0.000 1.599) 2.008 12.740 ( -2.042 0.000 -10.627) 10.822 12.863 ( -7.408 0.000 -6.425) 9.806 13.553 ( -1.772 0.000 11.669) 11.803 13.571 ( -0.800 0.000 5.735) 5.790 15.360 ( -12.990 0.000 5.743) 14.203 15.790 ( -19.189 0.000 -6.350) 20.213 17.193 ( -0.031 0.000 -18.144) 18.144 17.510 ( -11.454 0.000 -10.404) 15.473 19.163 ( -23.395 0.000 34.437) 41.632 19.576 ( -10.776 0.000 5.647) 12.166 ======================= Grid point 284 (84/219) ======================= q-point: ( 0.12 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 26.593 0.524 12.346) 29.324 2.483 ( 31.180 -8.761 13.051) 34.918 3.639 ( 12.697 11.069 -18.200) 24.799 3.775 ( 13.165 -11.178 -16.259) 23.720 4.010 ( 15.120 1.860 5.687) 16.261 4.258 ( 12.303 -0.189 2.612) 12.579 4.523 ( 34.435 -1.003 13.773) 37.101 5.500 ( 17.054 2.404 -14.758) 22.680 5.834 ( 23.090 2.914 -2.103) 23.368 6.041 ( 41.122 15.261 2.651) 43.942 6.158 ( 30.853 1.627 5.592) 31.398 6.245 ( 40.326 -15.028 1.639) 43.067 6.437 ( 25.712 -2.277 2.515) 25.935 6.650 ( 19.456 -4.479 -24.955) 31.959 7.698 ( 2.871 0.102 25.973) 26.131 8.717 ( -1.532 10.911 -5.899) 12.498 8.860 ( -1.056 -6.817 4.430) 8.198 9.071 ( -5.089 0.409 -0.356) 5.118 9.496 ( 3.026 8.520 -1.823) 9.224 9.556 ( 10.454 -3.901 0.419) 11.166 9.636 ( 8.611 -4.249 1.899) 9.788 9.890 ( 16.402 6.038 -0.511) 17.485 10.092 ( 13.004 -1.922 -12.749) 18.312 10.320 ( 3.268 7.339 2.742) 8.489 10.415 ( 5.847 -6.483 -3.962) 9.587 10.566 ( 13.069 0.706 1.143) 13.138 11.078 ( -6.533 0.548 5.407) 8.498 11.382 ( 11.311 -1.126 -6.676) 13.182 12.021 ( -11.558 1.860 3.035) 12.093 12.176 ( -0.310 3.026 7.875) 8.442 12.359 ( -11.291 3.243 -4.545) 12.596 12.589 ( 4.243 -0.950 -3.133) 5.359 12.688 ( -7.774 2.210 -6.247) 10.215 12.812 ( 2.375 -5.324 -5.470) 7.994 13.513 ( -0.676 2.687 5.885) 6.504 13.567 ( -0.396 -2.742 5.574) 6.225 15.071 ( -15.921 -0.882 6.070) 17.061 15.344 ( -26.845 -3.661 -3.969) 27.382 17.126 ( -6.362 -0.883 -17.009) 18.181 17.241 ( -14.718 2.130 -8.219) 16.991 18.786 ( -15.911 2.440 23.682) 28.635 19.348 ( -11.566 1.953 0.629) 11.747 ======================= Grid point 285 (85/219) ======================= q-point: ( 0.19 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 18.585 -2.655 5.581) 19.586 3.041 ( 20.177 -5.499 5.674) 21.669 3.728 ( 2.654 4.963 -7.929) 9.723 3.949 ( 2.248 2.421 -4.461) 5.551 4.363 ( 24.142 -2.800 -4.506) 24.718 4.537 ( 15.127 -2.264 -6.897) 16.779 5.197 ( 29.979 3.193 9.080) 31.486 5.782 ( 11.668 3.738 -11.838) 17.037 5.983 ( 5.316 -2.356 5.050) 7.702 6.459 ( 1.262 4.574 0.734) 4.802 6.744 ( 30.033 7.788 -0.863) 31.038 6.859 ( 33.658 5.841 -2.293) 34.238 7.136 ( 37.655 -5.790 9.431) 39.248 7.518 ( 35.210 -14.186 -2.081) 38.017 7.910 ( 24.577 -3.535 5.389) 25.408 8.607 ( -3.516 7.651 -8.530) 11.986 8.851 ( -2.899 1.780 6.363) 7.215 8.964 ( -6.867 -4.148 1.478) 8.158 9.458 ( -13.197 -2.688 1.828) 13.592 9.536 ( 3.983 3.049 0.578) 5.049 9.862 ( 14.471 -2.245 1.994) 14.779 10.128 ( 11.923 9.741 -2.098) 15.539 10.327 ( 6.095 -3.830 -6.747) 9.866 10.442 ( 14.425 10.696 -10.254) 20.680 10.650 ( 14.467 -2.318 3.935) 15.171 10.811 ( 8.845 1.656 1.688) 9.155 11.065 ( 7.763 1.376 5.864) 9.826 11.579 ( 2.525 -3.532 -10.368) 11.240 11.779 ( -8.113 6.168 0.072) 10.192 12.052 ( -9.916 4.716 1.855) 11.136 12.240 ( 2.092 -0.608 9.396) 9.645 12.513 ( -7.137 3.029 1.179) 7.843 12.712 ( 5.753 0.218 -4.013) 7.018 12.834 ( -2.454 -6.872 2.232) 7.630 13.502 ( 1.091 3.575 -0.896) 3.844 13.591 ( 0.873 -3.218 0.643) 3.395 14.754 ( -19.768 -1.282 3.691) 20.150 14.797 ( -27.640 -5.828 1.105) 28.269 16.915 ( -15.505 3.935 -6.054) 17.104 16.985 ( -8.877 -2.244 -14.960) 17.540 18.459 ( -15.702 4.477 18.342) 24.556 19.091 ( -13.028 3.883 -2.730) 13.866 ======================= Grid point 286 (86/219) ======================= q-point: ( 0.25 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 10.263 -3.130 2.985) 11.137 3.342 ( 8.884 -2.001 -1.009) 9.162 3.712 ( -1.350 2.794 0.579) 3.157 3.947 ( 0.158 4.167 -2.818) 5.033 4.857 ( 20.032 -0.180 -8.873) 21.910 4.931 ( 25.981 -3.918 -8.761) 27.697 5.617 ( 17.216 11.522 5.851) 21.526 5.860 ( 2.271 8.171 -1.773) 8.664 6.198 ( 9.958 -10.055 -0.366) 14.156 6.431 ( -1.397 -2.579 -0.245) 2.943 7.237 ( 22.019 3.248 5.624) 22.957 7.393 ( 23.597 6.623 -1.360) 24.547 7.601 ( 14.601 7.595 11.537) 20.099 8.096 ( 14.887 -15.732 2.872) 21.849 8.471 ( 3.219 3.205 -6.930) 8.287 8.590 ( 8.894 -10.024 -2.265) 13.591 8.669 ( -4.519 6.105 0.220) 7.599 8.848 ( -5.994 -0.655 -5.004) 7.836 9.354 ( 8.004 -4.426 9.758) 13.374 9.713 ( 13.169 -3.928 -0.636) 13.757 10.187 ( 7.019 5.726 0.514) 9.073 10.262 ( 17.177 3.545 -0.460) 17.546 10.430 ( 6.254 2.828 -10.411) 12.470 10.721 ( 15.375 7.686 -7.155) 18.619 10.893 ( 6.750 2.597 6.689) 9.851 10.964 ( 13.594 0.827 0.802) 13.643 11.224 ( 3.980 5.154 3.828) 7.554 11.459 ( -9.960 -2.683 -2.762) 10.679 11.679 ( 0.260 6.933 -2.419) 7.347 11.959 ( 2.494 -2.250 -5.921) 6.808 12.307 ( 3.512 2.810 10.262) 11.204 12.384 ( -4.241 1.046 7.565) 8.735 12.657 ( -8.287 -1.599 6.480) 10.640 12.975 ( 10.331 -4.106 -4.328) 11.930 13.486 ( -1.716 3.099 -4.038) 5.371 13.623 ( -0.217 -2.242 -7.334) 7.672 14.194 ( -29.099 -6.346 7.630) 30.745 14.495 ( -12.842 -1.321 2.838) 13.218 16.588 ( -14.563 4.425 -3.087) 15.531 16.832 ( -7.990 -2.976 -14.875) 17.145 18.103 ( -17.309 5.593 16.558) 24.598 18.779 ( -15.736 5.403 -4.533) 17.244 ======================= Grid point 287 (87/219) ======================= q-point: ( 0.31 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 5.064 -3.235 2.118) 6.371 3.460 ( 3.284 -0.495 -3.475) 4.806 3.660 ( -1.926 2.679 3.173) 4.577 3.904 ( -1.760 4.662 -2.953) 5.793 5.226 ( 17.422 -0.000 -6.244) 18.507 5.444 ( 21.013 -2.015 -9.930) 23.328 5.779 ( 7.461 11.235 1.753) 13.600 5.847 ( 3.007 9.711 0.096) 10.166 6.402 ( 4.584 -7.891 0.197) 9.128 6.473 ( 2.590 -7.269 1.122) 7.798 7.539 ( 10.617 4.931 7.266) 13.778 7.676 ( 6.362 7.015 1.282) 9.557 7.773 ( 7.908 5.382 3.230) 10.097 8.125 ( -9.210 -4.886 0.369) 10.432 8.405 ( -10.633 -10.359 0.091) 14.845 8.557 ( -0.485 3.760 -2.975) 4.819 8.641 ( 1.458 -10.854 3.763) 11.580 9.051 ( 15.041 4.215 -5.117) 16.437 9.707 ( 16.710 -6.115 5.129) 18.518 10.048 ( 14.568 -4.858 -1.999) 15.487 10.123 ( -2.618 10.099 -0.567) 10.448 10.528 ( 7.049 6.667 -13.942) 16.986 10.662 ( 16.277 1.305 1.274) 16.379 10.862 ( 5.240 3.709 0.132) 6.421 11.008 ( 4.817 4.312 7.470) 9.879 11.147 ( -0.143 4.428 6.792) 8.109 11.241 ( 8.187 1.093 -0.626) 8.283 11.380 ( 1.942 0.112 -6.276) 6.571 11.692 ( 4.086 1.062 0.088) 4.223 12.116 ( 10.400 7.200 -7.539) 14.725 12.268 ( -5.246 -2.660 6.781) 8.976 12.373 ( 2.089 -0.062 10.311) 10.521 12.530 ( -4.163 -3.292 7.651) 9.312 13.167 ( -0.810 -4.558 -12.302) 13.144 13.338 ( -7.398 -0.809 -3.084) 8.055 13.587 ( -2.087 0.144 -4.926) 5.351 13.866 ( -6.307 -4.109 11.664) 13.882 14.286 ( -8.567 0.150 0.940) 8.619 16.303 ( -11.320 4.336 -0.604) 12.137 16.711 ( -5.953 -2.568 -16.077) 17.335 17.725 ( -17.155 4.754 16.757) 24.447 18.416 ( -17.149 5.677 -5.092) 18.768 ======================= Grid point 288 (88/219) ======================= q-point: ( 0.38 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( 2.355 -3.277 1.170) 4.202 3.500 ( 1.046 1.132 -3.538) 3.860 3.617 ( -1.189 0.205 3.595) 3.792 3.832 ( -2.135 5.626 -1.787) 6.277 5.518 ( 11.362 -0.070 -4.750) 12.315 5.686 ( 3.333 -0.446 -4.158) 5.348 5.830 ( 3.904 7.855 -1.314) 8.870 5.888 ( 5.315 7.239 -1.236) 9.066 6.492 ( -0.682 -5.295 0.703) 5.385 6.599 ( 6.932 -6.104 -3.230) 9.785 7.556 ( -7.283 5.758 1.477) 9.401 7.610 ( -1.707 4.911 3.251) 6.132 7.820 ( 0.484 0.008 1.620) 1.691 8.131 ( 5.072 -4.640 -0.097) 6.875 8.295 ( -7.511 -10.529 0.736) 12.954 8.558 ( 2.780 -0.936 -1.534) 3.310 8.764 ( 3.171 -4.657 9.733) 11.246 9.274 ( 11.324 9.614 -3.652) 15.297 9.927 ( -7.656 6.653 -0.805) 10.175 9.963 ( 4.481 -11.868 -0.527) 12.697 10.358 ( 9.584 -3.809 0.294) 10.317 10.610 ( 6.343 10.308 -10.544) 16.052 10.809 ( 5.450 6.762 -1.665) 8.844 10.927 ( -2.864 -2.475 -2.872) 4.751 11.042 ( 1.961 3.405 5.780) 6.989 11.138 ( 3.333 0.642 6.906) 7.695 11.311 ( -2.355 6.998 -2.520) 7.802 11.457 ( 7.559 3.695 9.954) 13.034 11.848 ( 6.388 -5.900 -2.203) 8.971 12.117 ( -3.771 -1.644 -2.015) 4.581 12.226 ( 2.286 9.683 -4.632) 10.974 12.461 ( 0.590 -6.244 9.436) 11.330 12.534 ( 2.509 -1.153 7.072) 7.592 12.946 ( -10.089 -7.116 -12.682) 17.700 13.410 ( 4.031 1.435 -1.301) 4.472 13.610 ( 4.167 -2.166 1.747) 5.010 13.837 ( -0.821 -1.357 4.190) 4.480 14.156 ( -4.426 1.000 -0.100) 4.538 16.105 ( -6.002 3.732 1.047) 7.145 16.623 ( -4.132 -0.863 -17.962) 18.452 17.410 ( -11.453 1.867 17.593) 21.075 18.071 ( -13.705 3.972 -4.738) 15.035 ======================= Grid point 289 (89/219) ======================= q-point: ( 0.44 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( 1.241 -3.480 -0.262) 3.704 3.485 ( -0.751 4.271 -2.742) 5.130 3.621 ( 0.027 -4.776 3.346) 5.832 3.759 ( -1.808 5.833 0.131) 6.108 5.642 ( 0.973 1.034 -6.038) 6.202 5.698 ( -1.239 -0.972 -2.183) 2.692 5.840 ( -1.018 3.021 -0.400) 3.213 5.885 ( -1.358 3.824 0.522) 4.092 6.482 ( -1.161 -3.320 1.242) 3.730 6.728 ( -0.160 -4.910 -10.348) 11.455 7.418 ( -1.837 1.805 3.494) 4.341 7.562 ( 0.045 1.725 1.051) 2.021 7.830 ( -1.453 -1.954 2.450) 3.454 8.191 ( -0.739 -1.579 -8.046) 8.233 8.308 ( 3.104 -5.307 8.078) 10.152 8.600 ( -0.528 -2.065 -0.231) 2.144 8.825 ( 1.953 -0.596 12.001) 12.174 9.357 ( 3.417 11.397 -3.912) 12.525 9.789 ( -3.342 1.526 1.543) 3.985 10.084 ( -0.318 -17.186 -4.694) 17.818 10.416 ( -3.079 4.794 -4.373) 7.182 10.655 ( 0.723 3.388 -3.474) 4.906 10.776 ( -7.751 -1.284 -1.299) 7.964 10.925 ( 5.914 3.596 -4.455) 8.232 11.038 ( -1.041 1.564 3.612) 4.071 11.171 ( -3.821 4.874 -1.159) 6.301 11.212 ( 0.413 -1.232 11.522) 11.595 11.505 ( -0.495 3.677 9.186) 9.907 11.936 ( 0.604 -3.170 -0.716) 3.306 12.068 ( -3.839 -5.956 -0.202) 7.089 12.230 ( -1.514 3.479 -8.896) 9.671 12.460 ( 2.197 -0.628 7.856) 8.181 12.603 ( 3.423 0.124 6.165) 7.053 12.940 ( 4.104 0.036 -14.458) 15.030 13.433 ( -0.057 1.385 1.213) 1.842 13.724 ( 4.093 -3.604 6.470) 8.462 13.807 ( -2.951 0.905 -1.681) 3.515 14.089 ( -2.394 -1.035 0.414) 2.641 16.025 ( -0.297 2.611 1.541) 3.046 16.572 ( -0.501 -0.390 -18.190) 18.201 17.283 ( -1.024 -0.542 16.875) 16.914 17.878 ( -3.509 -0.253 -4.033) 5.352 ======================= Grid point 290 (90/219) ======================= q-point: (-0.50 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.426 ( 0.145 -2.719 -1.958) 3.353 3.430 ( -1.144 3.758 -1.839) 4.338 3.664 ( 0.501 -6.847 2.884) 7.447 3.689 ( -1.940 4.456 1.982) 5.249 5.539 ( -10.786 2.199 -3.397) 11.520 5.658 ( -3.510 -2.774 -2.684) 5.217 5.732 ( -6.260 -0.000 -2.077) 6.596 5.816 ( -6.834 0.428 -1.760) 7.070 6.511 ( 1.304 -3.857 0.185) 4.076 6.641 ( -8.531 -2.325 -7.025) 11.293 7.472 ( 5.785 -0.820 4.256) 7.229 7.570 ( -0.091 1.021 3.023) 3.192 7.774 ( -5.541 -3.934 2.432) 7.218 8.178 ( -1.030 0.253 -6.199) 6.289 8.404 ( 3.626 -3.034 0.892) 4.811 8.552 ( -4.174 -0.001 0.198) 4.179 8.871 ( 3.656 2.738 12.129) 12.961 9.292 ( -3.209 10.181 -2.931) 11.070 9.759 ( -0.924 -4.537 2.042) 5.061 10.144 ( -7.139 -18.875 -2.886) 20.386 10.244 ( -7.480 9.143 -9.457) 15.132 10.500 ( -12.484 -0.027 -5.576) 13.673 10.699 ( -2.535 -1.160 4.394) 5.204 10.983 ( -2.200 -0.339 4.227) 4.777 10.992 ( -2.671 -0.300 -2.801) 3.882 11.057 ( -4.201 -1.198 2.644) 5.106 11.254 ( 2.053 -1.093 6.644) 7.040 11.434 ( -4.311 2.230 6.574) 8.171 11.912 ( -4.780 -6.036 -5.379) 9.392 11.992 ( -12.024 -1.298 -1.640) 12.205 12.155 ( 1.545 -0.515 2.787) 3.228 12.513 ( 0.403 -2.206 6.883) 7.239 12.664 ( 3.200 8.502 1.681) 9.238 13.082 ( 12.994 4.723 -15.233) 20.572 13.397 ( -2.873 0.634 -0.099) 2.944 13.672 ( -7.124 2.447 2.005) 7.795 13.831 ( 4.024 -1.912 3.949) 5.953 14.102 ( 3.145 -3.777 2.195) 5.383 16.059 ( 4.919 0.713 1.504) 5.193 16.629 ( 5.485 -0.853 -18.858) 19.658 17.357 ( 7.299 -2.050 17.106) 18.711 17.950 ( 8.345 -5.710 -3.911) 10.841 ======================= Grid point 291 (91/219) ======================= q-point: (-0.44 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( -4.147 5.007 -0.525) 6.522 3.458 ( -0.350 -2.046 -4.323) 4.796 3.628 ( -1.279 1.911 4.115) 4.714 3.728 ( 0.450 -9.382 1.778) 9.560 5.236 ( -17.360 1.467 -2.110) 17.549 5.504 ( -18.481 2.154 -6.069) 19.571 5.597 ( -6.770 -3.601 -3.864) 8.587 5.671 ( -5.064 -4.419 -1.587) 6.906 6.496 ( -6.478 -0.662 -1.249) 6.630 6.532 ( -2.382 -2.497 -0.905) 3.568 7.467 ( -8.996 -0.747 4.500) 10.086 7.570 ( -4.513 -1.926 3.820) 6.218 7.638 ( -9.191 -4.240 5.889) 11.710 8.211 ( 6.979 1.921 -4.713) 8.638 8.403 ( -4.127 -4.434 0.654) 6.093 8.543 ( 1.337 -3.262 -5.955) 6.920 8.931 ( 5.715 10.881 7.274) 14.281 9.110 ( -8.359 9.592 -0.538) 12.734 9.788 ( -5.583 -10.364 0.380) 11.778 9.877 ( -15.873 -0.161 2.652) 16.094 10.115 ( -11.048 -2.809 -7.721) 13.768 10.296 ( -7.333 -5.339 -7.556) 11.805 10.594 ( -12.487 -2.789 3.633) 13.300 10.839 ( -10.963 -2.225 0.867) 11.220 10.919 ( -5.016 -1.889 5.600) 7.751 11.002 ( -5.031 -4.559 1.544) 6.963 11.272 ( -3.075 1.285 -0.132) 3.335 11.351 ( -1.381 -0.549 3.543) 3.843 11.690 ( -12.454 -0.768 -3.283) 12.902 11.887 ( -3.593 -10.040 -6.247) 12.359 12.220 ( 1.577 -2.106 6.793) 7.285 12.517 ( -1.197 3.082 7.864) 8.531 12.615 ( 1.338 7.451 4.808) 8.968 13.231 ( -4.754 1.017 -6.578) 8.180 13.389 ( 6.783 3.728 -5.090) 9.264 13.602 ( 2.920 0.248 -9.735) 10.167 13.968 ( 13.677 3.888 11.116) 18.049 14.265 ( 11.085 -1.894 2.611) 11.544 16.210 ( 9.611 -2.264 0.777) 9.905 16.767 ( 7.896 1.036 -19.617) 21.172 17.584 ( 12.824 -5.831 18.264) 23.066 18.229 ( 14.121 -9.347 -4.245) 17.458 ======================= Grid point 292 (92/219) ======================= q-point: (-0.38 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( -8.466 6.078 0.677) 10.444 3.409 ( -4.610 2.564 -4.030) 6.639 3.627 ( -0.202 -3.334 3.044) 4.519 3.778 ( -1.526 -9.481 1.846) 9.779 4.871 ( -18.421 0.993 -5.258) 19.182 5.045 ( -23.685 4.959 -5.915) 24.911 5.409 ( -14.052 -3.721 0.334) 14.541 5.652 ( -2.519 -8.678 -4.531) 10.109 6.350 ( -10.223 0.117 -0.962) 10.268 6.447 ( -6.451 -1.179 0.120) 6.559 7.150 ( -29.035 -2.997 3.216) 29.366 7.232 ( -20.073 -3.673 0.333) 20.409 7.544 ( -6.549 2.105 13.547) 15.194 8.346 ( 1.874 -5.688 -7.499) 9.597 8.416 ( -2.597 6.383 0.414) 6.904 8.538 ( -2.014 -4.121 -0.207) 4.591 8.820 ( -9.211 4.048 -3.487) 10.648 8.937 ( -7.634 12.309 -2.396) 14.681 9.472 ( -6.535 4.309 9.181) 12.065 9.805 ( -12.463 -1.873 1.265) 12.666 9.891 ( -8.651 -10.887 -1.732) 14.013 10.205 ( -13.818 -12.113 -6.369) 19.448 10.228 ( -16.147 -3.063 -0.160) 16.435 10.628 ( -13.595 -2.570 -5.040) 14.725 10.792 ( -9.270 -3.848 6.248) 11.822 10.890 ( -8.622 -4.226 -2.226) 9.856 11.138 ( -6.728 -1.730 4.585) 8.324 11.399 ( 3.208 -6.405 1.195) 7.262 11.621 ( 3.237 -0.282 -5.883) 6.721 11.892 ( -1.306 -5.633 -9.760) 11.344 12.213 ( -2.980 -3.685 10.011) 11.076 12.453 ( 0.069 6.180 6.468) 8.946 12.689 ( 5.581 0.613 10.666) 12.053 13.089 ( -4.679 4.846 -1.005) 6.810 13.444 ( 0.866 0.023 -3.735) 3.834 13.656 ( 0.650 0.484 -8.592) 8.630 14.394 ( 30.149 8.636 4.169) 31.638 14.542 ( 17.371 2.673 2.784) 17.795 16.453 ( 12.304 -5.720 -0.948) 13.602 16.917 ( 8.531 3.061 -19.363) 21.380 17.909 ( 14.968 -9.322 18.887) 25.839 18.580 ( 14.572 -10.695 -4.061) 18.526 ======================= Grid point 293 (93/219) ======================= q-point: (-0.31 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -16.005 8.292 1.166) 18.064 3.238 ( -10.133 8.509 0.898) 13.262 3.580 ( -8.900 -5.882 -2.341) 10.922 3.805 ( -0.209 -8.339 3.843) 9.184 4.479 ( -20.192 5.199 -6.076) 21.718 4.605 ( -16.802 2.849 -7.194) 18.498 5.086 ( -21.431 -4.086 5.445) 22.486 5.631 ( -6.183 -8.475 -11.357) 15.461 6.068 ( -17.323 1.423 2.481) 17.558 6.282 ( -16.740 -5.295 6.585) 18.752 6.489 ( -37.346 -12.688 -0.440) 39.445 6.796 ( -22.340 3.580 -8.722) 24.248 7.340 ( -14.656 8.538 17.472) 24.351 7.920 ( -32.852 15.537 0.800) 36.349 8.055 ( -37.533 8.135 -5.273) 38.765 8.423 ( 0.592 -5.977 -8.508) 10.414 8.784 ( 3.786 -1.600 7.657) 8.691 8.969 ( 9.217 -6.500 -1.739) 11.411 9.456 ( -17.012 -0.558 2.923) 17.270 9.562 ( 9.282 2.229 2.474) 9.862 9.788 ( -9.893 -12.887 1.204) 16.291 9.936 ( -10.555 -3.592 -1.527) 11.253 10.093 ( -12.237 -14.222 -2.883) 18.982 10.376 ( -11.622 -1.272 -9.827) 15.273 10.607 ( -11.499 -4.545 4.265) 13.079 10.749 ( -8.590 -3.287 -2.152) 9.446 11.046 ( -2.038 -0.058 6.762) 7.062 11.534 ( 3.275 -11.224 0.253) 11.695 11.715 ( 2.815 4.863 -11.683) 12.964 11.876 ( -0.762 -7.868 -1.249) 8.003 12.217 ( 1.716 -3.717 4.487) 6.074 12.461 ( 3.119 1.277 7.773) 8.472 12.734 ( -1.278 1.130 1.036) 1.996 13.046 ( 4.460 9.667 5.586) 12.023 13.443 ( -0.972 -0.958 -3.344) 3.612 13.645 ( -0.492 1.212 0.076) 1.310 14.823 ( 17.928 4.160 4.483) 18.943 15.026 ( 33.434 12.021 -2.661) 35.629 16.753 ( 13.464 -8.766 -3.437) 16.429 17.066 ( 8.490 3.713 -19.393) 21.493 18.269 ( 15.273 -10.304 20.258) 27.383 18.916 ( 12.987 -10.193 -2.673) 16.724 ======================= Grid point 294 (94/219) ======================= q-point: (-0.25 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -24.724 11.662 2.181) 27.424 2.871 ( -18.590 19.491 12.849) 29.843 3.389 ( -13.445 -9.484 -14.728) 22.082 3.843 ( -3.056 -7.965 5.187) 9.984 4.066 ( -16.897 9.793 -7.333) 20.861 4.280 ( -16.824 0.735 -2.841) 17.079 4.584 ( -29.869 3.140 10.797) 31.915 5.375 ( -29.356 -5.238 -9.446) 31.280 5.619 ( -41.784 -13.610 1.072) 43.958 5.723 ( -17.923 -10.047 -0.500) 20.553 6.104 ( -14.958 -4.251 1.905) 15.666 6.430 ( -16.114 2.852 -6.622) 17.654 6.664 ( -40.949 16.779 3.987) 44.433 6.959 ( -42.013 17.290 -14.280) 47.623 7.676 ( -5.346 -2.092 19.965) 20.774 8.459 ( -1.929 -8.640 -7.509) 11.608 8.824 ( -2.677 -5.091 8.347) 10.137 9.130 ( -5.185 -12.964 -6.766) 15.515 9.180 ( -7.403 0.005 2.726) 7.889 9.594 ( -8.100 -5.870 -2.934) 10.425 9.742 ( -4.884 2.975 -1.955) 6.043 9.771 ( -10.065 -2.961 1.424) 10.588 9.977 ( -0.417 -11.290 2.471) 11.564 10.166 ( -10.997 -4.222 -4.177) 12.499 10.417 ( -9.541 -4.215 3.222) 10.917 10.627 ( -2.885 3.001 -3.865) 5.681 11.068 ( 3.224 0.295 4.732) 5.733 11.450 ( -10.147 4.432 -2.844) 11.432 11.802 ( 4.480 -16.178 2.712) 17.005 12.032 ( 8.140 -6.782 -3.853) 11.274 12.293 ( 3.963 -1.627 -4.370) 6.120 12.561 ( 5.373 -4.541 4.157) 8.171 12.665 ( -3.439 4.068 -7.095) 8.872 13.060 ( 2.107 12.434 1.152) 12.664 13.452 ( 1.795 -1.782 4.804) 5.429 13.634 ( 0.337 2.120 5.537) 5.938 15.133 ( 15.946 4.155 6.009) 17.540 15.573 ( 28.686 13.788 -6.426) 32.470 17.073 ( 12.424 -9.728 -7.102) 17.304 17.203 ( 7.664 3.264 -19.300) 21.021 18.632 ( 15.714 -9.284 23.981) 30.137 19.215 ( 11.649 -8.748 0.341) 14.572 ======================= Grid point 295 (95/219) ======================= q-point: (-0.19 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -28.465 15.675 6.473) 33.134 2.305 ( -23.611 27.046 21.859) 42.033 3.185 ( -12.705 -8.051 -23.740) 28.103 3.449 ( -44.269 14.002 16.038) 49.122 3.640 ( -23.072 9.557 -17.687) 30.602 3.938 ( -12.425 -6.495 14.801) 20.387 4.124 ( -12.524 -0.248 7.017) 14.358 4.725 ( -35.445 -13.415 -2.973) 38.015 4.897 ( -35.579 -13.783 0.492) 38.159 5.431 ( -21.645 8.934 -12.679) 26.628 5.644 ( -42.053 11.104 -0.538) 43.498 5.839 ( -23.374 -1.608 -3.431) 23.679 6.002 ( -8.162 3.400 0.451) 8.853 6.550 ( -3.096 -0.812 -20.961) 21.204 7.660 ( 0.192 -2.408 27.111) 27.218 8.333 ( -23.165 -11.817 -3.464) 26.235 8.753 ( -9.772 -11.099 5.789) 15.881 8.861 ( -24.366 -28.320 -9.006) 38.430 9.152 ( -0.547 6.829 -3.859) 7.863 9.382 ( -11.748 5.446 1.119) 12.997 9.541 ( -11.665 0.653 0.511) 11.695 9.592 ( -5.016 4.021 -2.022) 6.739 9.953 ( -3.127 5.998 -2.112) 7.086 10.220 ( 6.057 -14.284 2.689) 15.746 10.309 ( -4.013 -5.259 2.354) 7.022 10.588 ( 3.169 13.365 -9.096) 16.474 11.110 ( -1.002 -4.556 2.365) 5.230 11.323 ( 1.074 4.232 -0.093) 4.367 11.971 ( 1.415 -17.865 4.025) 18.367 12.229 ( 7.949 -4.793 -6.298) 11.217 12.389 ( 3.894 -2.441 -3.539) 5.801 12.543 ( -5.647 3.719 -12.425) 14.145 12.705 ( 4.603 -7.608 -2.086) 9.134 13.004 ( 1.386 13.057 -3.687) 13.638 13.519 ( 3.364 -0.669 10.251) 10.809 13.626 ( 0.166 2.597 7.700) 8.128 15.392 ( 12.005 2.592 6.353) 13.827 15.964 ( 18.727 13.112 -8.222) 24.295 17.247 ( 2.623 2.525 -19.355) 19.695 17.404 ( 10.828 -7.194 -10.058) 16.436 19.021 ( 19.021 -9.587 31.702) 38.193 19.484 ( 10.661 -7.349 5.168) 13.941 ======================= Grid point 296 (96/219) ======================= q-point: (-0.12 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -21.756 18.721 18.076) 33.919 1.603 ( -34.312 24.154 21.978) 47.368 2.352 ( -40.247 35.737 40.028) 67.076 2.903 ( -23.426 0.328 -22.987) 32.822 3.169 ( -12.374 1.608 -25.805) 28.663 3.658 ( -18.266 -2.655 14.063) 23.205 4.007 ( -1.953 -11.744 11.808) 16.768 4.234 ( -21.734 -10.615 -3.376) 24.422 4.542 ( -7.880 -6.504 -5.357) 11.537 4.824 ( -25.491 7.046 -2.022) 26.524 4.867 ( -27.195 8.332 -1.641) 28.490 5.627 ( -3.022 2.422 -28.949) 29.207 5.977 ( 2.731 -2.728 8.571) 9.400 6.552 ( 0.412 -3.771 -15.359) 15.820 7.555 ( -22.742 3.449 9.108) 24.740 7.823 ( -15.367 -11.445 20.426) 28.006 8.199 ( -57.660 -35.282 -16.725) 69.637 8.861 ( 1.514 -16.242 -1.639) 16.394 9.086 ( -0.233 11.723 0.505) 11.736 9.186 ( -5.402 3.503 3.377) 7.270 9.319 ( -8.868 0.899 -1.175) 8.991 9.507 ( -2.095 3.068 -4.358) 5.727 9.878 ( 0.386 13.034 -4.550) 13.810 10.284 ( -1.282 -4.141 1.975) 4.763 10.404 ( 3.046 -12.049 -0.699) 12.448 10.554 ( 6.239 35.178 -22.949) 42.463 11.122 ( -0.343 -4.719 1.098) 4.857 11.310 ( -4.634 0.576 -5.604) 7.295 12.076 ( -0.352 -16.767 3.743) 17.183 12.360 ( 2.555 -1.214 -4.749) 5.528 12.436 ( 2.940 1.200 -2.725) 4.184 12.490 ( 0.976 -0.576 -0.032) 1.134 12.812 ( 1.073 -7.006 -13.391) 15.151 12.981 ( 2.339 7.497 -5.316) 9.483 13.571 ( 1.678 0.305 9.733) 9.882 13.602 ( -1.267 2.358 8.647) 9.052 15.562 ( 5.895 0.635 5.325) 7.969 16.151 ( 7.147 8.425 -6.739) 12.941 17.205 ( -3.095 8.756 -15.884) 18.399 17.621 ( 6.254 -6.846 -11.081) 14.449 19.553 ( 25.536 -20.591 37.852) 50.089 19.720 ( 10.306 -6.923 13.998) 18.711 ======================= Grid point 297 (97/219) ======================= q-point: (-0.06 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.000 22.619 30.193) 37.726 0.875 ( 0.000 10.707 37.537) 39.034 1.709 ( 0.000 44.696 59.739) 74.608 2.565 ( 0.000 2.414 -23.097) 23.222 3.090 ( -0.000 -1.038 -29.034) 29.053 3.464 ( -0.000 -0.683 13.614) 13.631 4.000 ( -0.000 -3.687 -4.245) 5.623 4.151 ( -0.000 -21.959 19.491) 29.361 4.479 ( 0.000 1.195 1.090) 1.617 4.543 ( 0.000 1.977 -0.572) 2.058 4.553 ( 0.000 0.949 -13.877) 13.910 5.592 ( 0.000 7.480 -31.866) 32.733 6.159 ( -0.000 -14.003 6.866) 15.596 6.608 ( -0.000 -1.564 -14.372) 14.456 7.104 ( 0.000 3.460 0.716) 3.533 7.168 ( 0.000 4.141 -0.837) 4.225 7.818 ( -0.000 -6.410 34.489) 35.079 8.980 ( -0.000 -5.878 -2.650) 6.448 9.037 ( 0.000 0.611 5.266) 5.301 9.099 ( -0.000 -0.384 1.661) 1.705 9.228 ( 0.000 0.016 -1.456) 1.456 9.458 ( 0.000 6.441 -5.588) 8.527 9.797 ( 0.000 14.125 -8.740) 16.610 10.222 ( 0.000 43.086 -23.037) 48.858 10.357 ( 0.000 20.657 -9.253) 22.635 10.498 ( -0.000 -8.280 -0.907) 8.330 11.142 ( -0.000 -3.348 0.866) 3.458 11.219 ( -0.000 -3.155 -0.975) 3.302 12.175 ( -0.000 -13.721 4.384) 14.404 12.442 ( -0.000 -4.213 4.474) 6.145 12.450 ( 0.000 0.576 0.690) 0.899 12.504 ( 0.000 0.543 -0.604) 0.813 12.835 ( -0.000 -0.389 -17.160) 17.165 12.979 ( 0.000 1.501 -7.836) 7.978 13.563 ( 0.000 2.402 12.643) 12.869 13.587 ( -0.000 -0.378 6.248) 6.259 15.615 ( -0.000 -0.138 4.611) 4.613 16.181 ( 0.000 2.109 -3.596) 4.169 17.076 ( 0.000 13.724 -3.596) 14.187 17.720 ( -0.000 -4.946 -12.067) 13.041 19.803 ( -0.000 -6.137 13.496) 14.826 20.262 ( -0.000 -48.811 25.677) 55.153 ======================= Grid point 300 (98/219) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 18.552 -0.000 6.477) 19.650 3.007 ( 22.196 -0.000 5.790) 22.939 3.761 ( 0.121 -0.000 -7.609) 7.610 3.961 ( 4.466 -0.000 -7.620) 8.832 4.347 ( 23.830 -0.000 -3.826) 24.135 4.522 ( 15.331 -0.000 -5.939) 16.441 5.217 ( 32.193 -0.000 9.510) 33.568 5.806 ( 13.931 -0.000 -12.234) 18.540 5.969 ( 1.440 -0.000 5.702) 5.881 6.486 ( -2.705 0.000 -1.037) 2.897 6.805 ( 26.991 -0.000 1.612) 27.039 6.888 ( 33.338 -0.000 -0.635) 33.345 7.108 ( 48.153 -0.000 4.917) 48.404 7.419 ( 33.877 -0.000 -1.767) 33.924 7.888 ( 22.397 -0.000 7.662) 23.672 8.665 ( -6.194 0.000 -10.602) 12.278 8.851 ( 1.692 -0.000 5.724) 5.969 8.939 ( -8.021 0.000 3.890) 8.914 9.438 ( -15.016 0.000 2.258) 15.185 9.559 ( 2.294 -0.000 -0.597) 2.370 9.846 ( 15.554 -0.000 2.809) 15.805 10.206 ( 13.508 -0.000 -3.671) 13.998 10.285 ( 5.299 -0.000 -6.016) 8.017 10.524 ( 11.304 -0.000 -15.568) 19.239 10.619 ( 17.570 -0.000 8.639) 19.579 10.822 ( 8.186 -0.000 2.623) 8.596 11.075 ( 9.214 -0.000 5.532) 10.747 11.556 ( 1.535 -0.000 -9.628) 9.749 11.819 ( -6.063 0.000 0.180) 6.065 12.080 ( -15.313 0.000 -0.797) 15.334 12.236 ( 4.712 -0.000 13.561) 14.356 12.534 ( -7.918 0.000 -0.849) 7.964 12.718 ( 9.081 -0.000 -3.708) 9.809 12.786 ( -4.413 0.000 0.941) 4.512 13.543 ( 2.199 -0.000 -3.035) 3.748 13.552 ( -0.093 0.000 3.240) 3.242 14.752 ( -31.566 0.000 0.241) 31.567 14.756 ( -15.272 0.000 4.949) 16.054 16.940 ( -16.005 0.000 -5.987) 17.088 16.970 ( -8.653 0.000 -14.824) 17.164 18.487 ( -15.811 0.000 18.123) 24.050 19.114 ( -13.037 0.000 -2.708) 13.315 ======================= Grid point 301 (99/219) ======================= q-point: ( 0.19 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( 10.595 -1.087 3.354) 11.166 3.326 ( 10.305 -0.681 -0.657) 10.348 3.736 ( -1.772 1.025 0.239) 2.061 3.980 ( -0.584 1.341 -3.955) 4.217 4.859 ( 19.366 0.395 -8.801) 21.275 4.895 ( 28.069 -1.903 -9.374) 29.654 5.736 ( 21.303 6.575 6.985) 23.363 5.950 ( 1.536 6.616 1.700) 7.001 6.078 ( 8.813 -8.966 -2.504) 12.820 6.402 ( -4.942 -1.692 -1.001) 5.319 7.262 ( 20.398 0.964 6.904) 21.556 7.456 ( 24.522 3.192 -1.838) 24.797 7.710 ( 11.812 9.215 7.489) 16.749 7.920 ( 21.776 -12.065 5.716) 25.543 8.460 ( 13.106 -3.360 -1.259) 13.589 8.542 ( -4.171 0.710 -6.673) 7.902 8.732 ( -9.462 3.639 0.413) 10.146 8.830 ( -1.366 -1.708 -6.415) 6.777 9.315 ( 9.326 -1.840 9.964) 13.771 9.680 ( 11.188 -1.454 -0.987) 11.325 10.213 ( 19.007 0.416 2.764) 19.211 10.309 ( 1.301 2.462 -3.141) 4.198 10.447 ( 10.538 0.556 -8.800) 13.741 10.802 ( 14.676 4.411 -12.381) 19.701 10.914 ( 5.876 1.142 3.314) 6.842 10.960 ( 15.909 -0.992 7.316) 17.539 11.281 ( 4.392 3.459 3.203) 6.443 11.419 ( -10.548 -2.909 -1.170) 11.004 11.772 ( -0.392 7.162 -5.969) 9.332 11.905 ( 1.007 -5.581 -0.270) 5.678 12.339 ( 4.735 2.032 11.949) 13.012 12.393 ( -5.495 0.139 4.777) 7.282 12.643 ( -9.289 -0.597 5.107) 10.617 12.938 ( 11.731 -1.694 -5.311) 12.988 13.523 ( -3.065 2.436 -3.579) 5.305 13.595 ( 1.113 -2.011 -7.140) 7.501 14.141 ( -28.689 -2.322 8.494) 30.010 14.484 ( -12.180 -0.483 2.611) 12.467 16.626 ( -14.939 1.669 -3.583) 15.453 16.807 ( -7.812 -1.147 -13.966) 16.044 18.149 ( -17.898 1.951 16.129) 24.172 18.823 ( -15.997 1.861 -4.581) 16.743 ======================= Grid point 302 (100/219) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( 5.308 -1.753 2.589) 6.160 3.457 ( 3.723 -0.101 -3.521) 5.126 3.687 ( -2.249 1.673 2.888) 4.024 3.944 ( -1.849 2.074 -3.911) 4.798 5.226 ( 17.509 -0.016 -6.957) 18.840 5.426 ( 22.024 -0.996 -10.758) 24.532 5.909 ( 3.050 9.236 2.145) 9.960 5.982 ( 7.470 12.815 2.311) 15.012 6.294 ( 6.063 -9.766 0.460) 11.504 6.368 ( -0.154 -9.173 1.208) 9.254 7.595 ( 13.656 3.813 8.318) 16.438 7.763 ( 8.655 6.924 -1.469) 11.181 7.833 ( 4.135 4.026 1.995) 6.107 8.070 ( -8.296 -3.193 3.061) 9.401 8.262 ( -17.192 -11.938 0.587) 20.939 8.533 ( -3.588 -5.842 -0.554) 6.878 8.607 ( 5.390 2.949 1.170) 6.254 9.106 ( 18.384 4.025 -6.903) 20.046 9.648 ( 15.106 -3.473 6.717) 16.892 9.993 ( 15.929 -3.719 -0.816) 16.377 10.222 ( -4.963 5.956 -2.644) 8.192 10.555 ( 10.199 -1.233 -10.349) 14.583 10.691 ( 15.919 3.544 -0.487) 16.316 10.905 ( 1.849 2.253 -0.996) 3.080 11.058 ( 4.311 3.807 4.557) 7.338 11.187 ( -5.945 2.843 2.547) 7.065 11.266 ( 14.049 2.283 7.880) 16.269 11.365 ( 6.226 -2.579 -9.992) 12.052 11.722 ( -1.431 3.671 -1.961) 4.401 12.135 ( 13.547 -4.320 5.183) 15.134 12.260 ( -5.052 3.618 0.789) 6.264 12.408 ( 0.782 3.511 7.826) 8.613 12.486 ( -4.672 -3.578 6.888) 9.059 13.109 ( -5.706 -4.303 -12.767) 14.631 13.332 ( -6.159 -0.214 -1.579) 6.362 13.597 ( -0.603 1.256 -5.558) 5.730 13.822 ( -4.795 -2.971 12.463) 13.681 14.286 ( -8.000 -0.079 0.196) 8.002 16.347 ( -11.597 2.752 -1.230) 11.982 16.686 ( -5.211 -1.568 -14.898) 15.861 17.769 ( -18.578 2.522 16.324) 24.859 18.468 ( -18.022 2.973 -5.269) 19.010 ======================= Grid point 303 (101/219) ======================= q-point: ( 0.31 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( 2.613 -2.185 2.275) 4.096 3.505 ( 1.581 0.003 -2.931) 3.330 3.631 ( -2.389 1.568 2.592) 3.858 3.887 ( -2.070 3.517 -3.595) 5.438 5.518 ( 11.406 0.008 -5.012) 12.458 5.681 ( 3.744 -0.395 -3.950) 5.457 5.931 ( 3.342 8.407 -1.976) 9.261 5.999 ( 2.690 10.810 -1.612) 11.256 6.413 ( 0.977 -7.170 1.939) 7.491 6.503 ( 6.563 -9.504 -0.585) 11.565 7.632 ( -10.470 6.714 0.478) 12.447 7.684 ( -4.187 6.800 2.382) 8.333 7.813 ( -1.422 -1.004 2.021) 2.667 8.050 ( 5.837 -8.653 3.686) 11.069 8.174 ( -3.229 -9.079 -3.993) 10.431 8.508 ( -0.378 -5.411 -4.203) 6.862 8.765 ( 8.626 3.279 13.130) 16.049 9.399 ( 14.693 9.883 -4.891) 18.371 9.835 ( 1.132 -8.878 2.196) 9.215 9.989 ( -11.211 3.402 -2.768) 12.038 10.305 ( 9.323 -4.205 1.903) 10.403 10.699 ( 4.963 3.818 -11.696) 13.267 10.869 ( 5.728 3.089 -2.541) 6.987 10.932 ( -2.226 3.181 -2.370) 4.549 11.084 ( 1.489 3.220 6.535) 7.436 11.125 ( 2.653 -1.897 6.193) 6.999 11.418 ( -2.005 9.681 -6.347) 11.749 11.513 ( 11.030 5.499 9.045) 15.288 11.771 ( 5.370 -6.628 -1.346) 8.636 12.072 ( -9.190 -5.240 3.047) 11.009 12.341 ( -1.042 7.593 -2.169) 7.965 12.408 ( 4.312 -1.440 7.672) 8.918 12.524 ( 4.423 0.086 4.899) 6.601 12.848 ( -8.790 -9.274 -9.980) 16.214 13.427 ( 5.455 1.306 -2.136) 6.002 13.594 ( 1.712 -0.386 -0.277) 1.777 13.814 ( 0.071 -2.243 5.874) 6.288 14.164 ( -4.752 0.338 -1.158) 4.902 16.150 ( -6.164 3.490 0.479) 7.099 16.613 ( -3.250 -0.791 -17.192) 17.515 17.428 ( -13.431 1.070 17.649) 22.204 18.110 ( -15.512 2.506 -4.997) 16.489 ======================= Grid point 304 (102/219) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( 1.381 -2.356 1.289) 3.020 3.524 ( 0.554 1.486 -2.502) 2.962 3.580 ( -2.293 -1.300 3.012) 4.002 3.824 ( -1.870 4.795 -2.217) 5.604 5.655 ( 2.254 0.928 -5.183) 5.728 5.686 ( -1.868 -0.836 -1.491) 2.532 5.891 ( -3.209 5.369 -0.611) 6.285 5.946 ( -3.204 5.965 -0.499) 6.789 6.431 ( -1.551 -4.798 2.074) 5.452 6.648 ( 0.287 -7.800 -7.391) 10.749 7.443 ( -3.489 2.061 2.512) 4.768 7.589 ( -0.613 2.571 -0.255) 2.655 7.796 ( -3.308 -3.596 2.609) 5.540 8.165 ( -0.388 -2.543 -8.998) 9.358 8.235 ( 6.210 -6.296 5.143) 10.230 8.543 ( -0.645 -5.765 -1.631) 6.026 8.875 ( 5.947 7.811 16.087) 18.846 9.504 ( 1.312 11.869 -4.330) 12.703 9.808 ( -3.750 0.576 0.117) 3.796 9.880 ( -2.964 -15.382 -0.851) 15.688 10.422 ( 0.130 -2.334 -2.781) 3.633 10.679 ( -6.593 -0.666 -8.941) 11.130 10.799 ( -4.909 5.211 0.504) 7.177 10.963 ( 4.471 2.481 -3.145) 6.003 11.064 ( -2.044 2.621 3.665) 4.947 11.195 ( 1.320 -1.574 8.936) 9.169 11.254 ( -6.712 8.631 -1.668) 11.060 11.563 ( -1.589 5.475 9.107) 10.744 11.871 ( -2.451 -7.163 -6.937) 10.268 12.007 ( 0.922 -4.000 8.058) 9.043 12.265 ( -4.553 2.502 -4.424) 6.823 12.440 ( 1.082 -2.862 5.857) 6.608 12.611 ( 6.691 1.213 4.196) 7.991 12.940 ( 8.946 -0.153 -13.912) 16.540 13.456 ( -0.161 2.516 -0.051) 2.522 13.674 ( 3.929 -4.432 3.155) 6.711 13.813 ( -1.635 0.155 2.563) 3.044 14.073 ( -4.893 -1.479 -0.300) 5.121 16.066 ( -0.303 3.879 1.001) 4.018 16.565 ( -1.299 -0.765 -17.681) 17.745 17.275 ( -1.711 -0.768 16.920) 17.023 17.874 ( -6.530 -0.362 -4.069) 7.703 ======================= Grid point 305 (103/219) ======================= q-point: (-0.56 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( 0.810 -2.905 -0.510) 3.059 3.490 ( -1.575 4.996 -2.696) 5.891 3.577 ( -0.910 -6.963 4.303) 8.235 3.753 ( -2.313 5.346 -0.194) 5.829 5.575 ( -9.892 3.722 -2.941) 10.970 5.630 ( -4.190 -1.717 -1.841) 4.888 5.742 ( -7.639 1.399 -2.072) 8.037 5.829 ( -7.472 1.462 -1.130) 7.697 6.448 ( 0.005 -6.140 0.154) 6.141 6.596 ( -7.621 -4.805 -6.666) 11.207 7.473 ( 5.598 0.700 3.996) 6.914 7.590 ( -0.424 1.927 1.876) 2.723 7.718 ( -6.640 -5.181 2.744) 8.858 8.176 ( 0.631 -0.491 -9.062) 9.097 8.359 ( 2.775 -4.005 0.581) 4.907 8.523 ( -4.340 -3.869 -0.931) 5.888 8.940 ( 6.747 8.470 15.223) 18.681 9.391 ( -5.520 4.803 -3.005) 7.910 9.750 ( -3.017 3.192 1.873) 4.775 9.907 ( -5.964 -19.392 -1.116) 20.319 10.334 ( -7.704 5.196 -9.812) 13.514 10.488 ( -11.607 -1.683 -7.314) 13.822 10.703 ( -3.741 1.539 4.980) 6.416 10.974 ( -5.456 -1.904 -0.169) 5.781 10.981 ( -4.628 -0.071 3.808) 5.993 11.077 ( -4.589 3.541 1.866) 6.090 11.238 ( 1.144 -1.438 5.176) 5.493 11.476 ( -3.308 4.368 6.527) 8.522 11.807 ( -6.594 -9.333 -7.139) 13.474 12.005 ( -11.942 1.627 2.127) 12.238 12.148 ( 1.088 -0.659 4.249) 4.435 12.477 ( 0.400 -3.723 7.295) 8.200 12.763 ( 7.407 7.830 -1.780) 10.925 13.132 ( 12.591 3.224 -15.850) 20.497 13.413 ( -2.256 2.015 -0.774) 3.123 13.702 ( -8.356 2.665 1.455) 8.891 13.800 ( 6.570 -3.117 5.125) 8.897 14.046 ( 2.122 -5.425 3.077) 6.588 16.085 ( 4.443 3.380 1.001) 5.672 16.609 ( 4.833 -2.614 -17.749) 18.580 17.338 ( 6.613 -0.946 15.880) 17.228 17.882 ( 5.271 -5.541 -3.390) 8.365 ======================= Grid point 306 (104/219) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( -2.893 1.680 -2.213) 4.012 3.431 ( -0.329 0.221 -2.848) 2.875 3.612 ( -0.744 -9.517 4.420) 10.519 3.670 ( -2.709 4.500 2.244) 5.712 5.267 ( -17.188 3.686 -0.033) 17.578 5.523 ( -16.707 1.202 -3.639) 17.141 5.560 ( -4.674 -2.989 -4.219) 6.971 5.645 ( -8.645 -0.170 -3.639) 9.381 6.462 ( -6.159 -4.974 -2.100) 8.191 6.482 ( -3.456 -5.067 -1.289) 6.267 7.459 ( -9.675 -1.398 3.060) 10.244 7.550 ( -10.973 -1.023 1.820) 11.170 7.620 ( 1.300 1.006 7.648) 7.823 8.223 ( 4.467 0.073 -6.943) 8.257 8.357 ( -3.653 -3.077 1.264) 4.941 8.486 ( -1.155 -5.432 -5.356) 7.715 9.046 ( 7.641 8.150 8.284) 13.908 9.221 ( -8.621 7.045 -0.600) 11.150 9.670 ( -5.368 -6.667 2.029) 8.796 9.814 ( -14.363 -11.705 1.944) 18.630 10.103 ( -11.423 2.920 -10.556) 15.826 10.280 ( -9.532 0.559 -5.292) 10.917 10.567 ( -13.380 -1.829 4.451) 14.219 10.789 ( -12.953 -5.357 1.012) 14.053 10.901 ( -4.352 -1.568 4.149) 6.214 10.977 ( -5.989 0.220 1.281) 6.128 11.262 ( -0.732 -2.546 2.702) 3.785 11.371 ( -6.615 3.593 2.734) 8.009 11.664 ( -14.144 -3.830 -4.347) 15.284 11.779 ( -2.227 -7.398 -4.169) 8.779 12.204 ( 1.401 -0.578 7.475) 7.627 12.521 ( 2.405 -1.371 9.632) 10.022 12.732 ( -2.301 10.987 -0.554) 11.239 13.236 ( -4.519 -0.082 -4.232) 6.192 13.443 ( 4.812 5.085 -4.007) 8.066 13.597 ( 2.422 -1.027 -11.184) 11.490 14.008 ( 17.479 2.659 9.785) 20.207 14.235 ( 13.395 -3.035 2.957) 14.049 16.200 ( 8.360 0.789 0.785) 8.434 16.761 ( 8.220 -2.314 -19.749) 21.516 17.527 ( 11.098 -3.174 17.677) 21.112 18.113 ( 12.222 -9.925 -3.486) 16.125 ======================= Grid point 307 (105/219) ======================= q-point: (-0.44 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( -7.161 6.420 -1.140) 9.684 3.421 ( -2.920 -0.826 -6.009) 6.732 3.600 ( -2.608 -1.561 4.610) 5.522 3.662 ( -0.659 -8.722 4.438) 9.808 4.892 ( -18.205 2.829 -1.630) 18.495 5.103 ( -22.239 4.794 -4.471) 23.185 5.393 ( -13.516 0.485 -3.240) 13.907 5.551 ( -4.051 -8.089 -4.525) 10.115 6.317 ( -11.496 -4.598 -0.384) 12.388 6.412 ( -8.200 -5.346 -1.448) 9.895 7.130 ( -29.454 0.328 3.361) 29.647 7.221 ( -15.056 1.360 0.775) 15.137 7.587 ( -4.386 4.795 11.242) 12.985 8.269 ( -1.203 -6.714 -4.873) 8.383 8.438 ( 4.830 -2.675 -0.770) 5.574 8.490 ( -0.538 -3.745 -3.249) 4.987 8.895 ( -13.983 8.270 -1.063) 16.280 9.082 ( -10.462 10.865 -3.189) 15.417 9.507 ( -6.212 0.529 7.388) 9.667 9.674 ( -5.439 -12.440 4.113) 14.186 9.853 ( -16.486 -2.443 -5.156) 17.446 10.074 ( -16.765 -7.047 -1.771) 18.272 10.195 ( -17.103 -3.306 0.499) 17.427 10.561 ( -15.683 -8.539 -5.510) 18.688 10.774 ( -9.211 0.296 3.755) 9.951 10.846 ( -7.666 -2.523 -1.171) 8.155 11.124 ( -8.340 -0.749 5.387) 9.957 11.316 ( -0.033 -7.162 2.688) 7.650 11.603 ( 2.576 -3.243 -8.534) 9.485 11.831 ( 2.710 -3.943 -8.163) 9.462 12.185 ( -3.150 -0.799 9.835) 10.358 12.528 ( -0.671 5.644 5.170) 7.683 12.695 ( 3.046 0.664 10.539) 10.990 13.146 ( -1.200 4.453 0.976) 4.714 13.455 ( 0.503 1.641 -2.477) 3.014 13.657 ( 0.778 -0.223 -9.026) 9.062 14.481 ( 27.697 5.396 3.271) 28.406 14.583 ( 24.045 4.369 1.149) 24.466 16.395 ( 10.366 -3.538 -0.135) 10.954 16.938 ( 8.706 -0.118 -21.379) 23.084 17.806 ( 13.702 -7.265 19.804) 25.154 18.442 ( 13.768 -12.010 -3.443) 18.592 ======================= Grid point 308 (106/219) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( -13.385 9.653 -1.111) 16.541 3.313 ( -7.021 3.118 -5.983) 9.737 3.524 ( -8.720 -3.057 5.878) 10.951 3.706 ( 0.359 -7.733 4.542) 8.975 4.527 ( -17.416 2.692 -5.531) 18.471 4.649 ( -19.267 5.012 -3.793) 20.266 5.057 ( -20.313 -0.795 1.951) 20.422 5.518 ( -5.865 -10.175 -10.633) 15.843 6.022 ( -22.937 -7.658 2.225) 24.284 6.231 ( -14.248 -9.354 -0.016) 17.044 6.408 ( -40.747 4.820 5.798) 41.439 6.863 ( -17.298 7.049 -8.240) 20.415 7.434 ( -8.618 7.145 17.186) 20.511 8.071 ( -28.986 9.261 0.310) 30.431 8.141 ( -36.106 3.997 -2.245) 36.396 8.396 ( -4.220 3.523 -11.748) 12.971 8.777 ( 0.618 0.392 4.687) 4.743 8.862 ( 5.228 -10.466 -1.116) 11.752 9.430 ( -21.569 -5.867 2.520) 22.495 9.561 ( 0.433 -3.123 1.824) 3.643 9.651 ( -0.408 -7.216 4.736) 8.642 9.806 ( -15.247 -16.441 -5.059) 22.986 10.005 ( -8.227 -1.874 1.093) 8.508 10.329 ( -11.599 -6.935 -9.389) 16.456 10.560 ( -12.711 -2.677 3.537) 13.462 10.710 ( -7.331 -3.055 -2.603) 8.358 11.047 ( -0.301 0.070 7.000) 7.007 11.393 ( 1.967 -11.651 2.152) 12.010 11.734 ( 7.241 -5.129 -12.594) 15.406 11.824 ( -6.377 2.300 -7.171) 9.868 12.171 ( 2.420 -3.181 8.219) 9.139 12.497 ( 1.275 4.258 7.031) 8.318 12.741 ( 0.510 -0.082 5.739) 5.762 13.162 ( 6.477 9.416 6.396) 13.097 13.443 ( -1.133 0.943 -4.322) 4.567 13.653 ( -0.356 0.220 -0.331) 0.534 14.879 ( 18.922 5.174 4.141) 20.049 15.171 ( 35.405 11.715 -4.696) 37.588 16.646 ( 11.318 -8.582 -1.867) 14.326 17.102 ( 8.407 1.870 -22.357) 23.959 18.145 ( 15.213 -9.822 21.638) 28.216 18.781 ( 12.978 -12.097 -2.322) 17.893 ======================= Grid point 309 (107/219) ======================= q-point: (-0.31 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -20.438 15.064 -1.923) 25.463 3.089 ( -11.977 14.863 4.133) 19.530 3.291 ( -14.813 -5.447 -3.162) 16.096 3.746 ( -2.355 -7.551 5.402) 9.579 4.175 ( -14.853 7.522 -6.106) 17.733 4.281 ( -18.167 -0.102 -5.443) 18.965 4.612 ( -24.626 1.285 8.601) 26.116 5.309 ( -30.086 -7.819 -8.911) 32.337 5.487 ( -47.185 -6.322 4.817) 47.850 5.600 ( -17.324 -10.631 -3.797) 20.678 6.042 ( -9.410 -4.327 3.932) 11.079 6.498 ( -16.826 8.232 -9.726) 21.106 6.868 ( -43.205 16.960 5.315) 46.717 7.164 ( -43.848 16.376 -9.221) 47.706 7.645 ( -7.730 -2.799 15.997) 17.986 8.376 ( -2.579 -5.026 -9.475) 11.032 8.768 ( -4.873 -4.250 5.622) 8.568 8.941 ( -14.462 -14.749 -1.440) 20.707 9.191 ( -1.465 -2.354 0.787) 2.882 9.505 ( -7.539 -7.721 0.137) 10.792 9.639 ( -10.035 -17.734 -1.754) 20.451 9.767 ( 0.410 -0.997 -1.305) 1.692 9.886 ( -0.517 -3.167 4.288) 5.356 10.117 ( -14.094 -3.920 -6.090) 15.847 10.369 ( -6.926 -3.729 4.087) 8.865 10.640 ( -0.542 -0.790 -3.660) 3.783 11.075 ( 1.929 0.615 5.040) 5.432 11.487 ( -2.014 -3.087 0.524) 3.723 11.634 ( -5.638 -6.111 3.718) 9.108 11.932 ( 7.182 -10.019 -13.908) 18.584 12.272 ( 4.871 -1.721 -2.967) 5.957 12.538 ( 4.126 0.684 6.685) 7.885 12.712 ( -2.310 3.550 -1.243) 4.414 13.212 ( 3.372 12.818 1.575) 13.348 13.437 ( 2.282 -0.646 4.096) 4.733 13.653 ( 0.604 1.066 5.254) 5.395 15.191 ( 15.860 5.617 5.875) 17.822 15.748 ( 30.019 14.957 -8.425) 34.581 16.937 ( 11.335 -12.384 -4.428) 17.362 17.245 ( 7.609 3.256 -23.096) 24.534 18.515 ( 16.228 -9.755 24.451) 30.926 19.095 ( 11.830 -10.987 0.401) 16.150 ======================= Grid point 310 (108/219) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -22.438 22.477 -1.153) 31.780 2.624 ( -22.121 25.426 17.135) 37.808 3.083 ( -10.977 -8.835 -20.618) 24.973 3.578 ( -23.073 4.438 9.843) 25.474 3.737 ( -26.430 7.530 -15.386) 31.495 3.926 ( -17.827 4.630 14.724) 23.580 4.146 ( -14.362 4.695 8.648) 17.410 4.585 ( -36.771 -9.217 -0.831) 37.917 4.723 ( -33.677 -14.741 3.419) 36.921 5.465 ( -9.981 -4.051 -17.226) 20.317 5.753 ( -37.880 6.763 1.109) 38.495 5.856 ( -36.270 6.188 2.018) 36.849 6.035 ( -13.646 1.037 3.161) 14.046 6.581 ( -8.295 6.780 -25.919) 28.046 7.619 ( 0.096 -4.236 23.975) 24.347 8.228 ( -20.790 -5.819 -5.175) 22.201 8.549 ( -32.837 -20.067 -3.672) 38.658 8.660 ( -5.966 -7.018 2.267) 9.486 9.195 ( -1.385 0.618 -1.128) 1.890 9.379 ( -7.897 -4.979 -1.321) 9.429 9.531 ( -10.088 -3.228 0.182) 10.593 9.664 ( -4.658 6.501 -1.744) 8.185 9.957 ( -2.964 -8.356 -1.172) 8.943 10.037 ( 5.287 -14.127 2.768) 15.336 10.301 ( -0.581 5.082 5.172) 7.274 10.689 ( 6.171 3.725 -4.950) 8.745 11.066 ( -2.994 -2.581 3.682) 5.402 11.393 ( 0.338 7.700 0.959) 7.767 11.728 ( 0.301 -21.444 4.075) 21.830 12.128 ( 5.938 -12.111 -15.276) 20.379 12.376 ( 5.160 -0.247 -3.970) 6.515 12.574 ( -4.164 1.045 -12.560) 13.273 12.662 ( 2.813 1.348 9.145) 9.662 13.162 ( 0.809 12.833 -4.894) 13.758 13.520 ( 4.672 0.953 10.886) 11.884 13.655 ( 0.380 2.097 7.339) 7.642 15.430 ( 11.047 3.856 7.003) 13.636 16.141 ( 18.518 15.847 -10.174) 26.412 17.209 ( 7.606 -10.310 -10.111) 16.321 17.368 ( 7.377 2.527 -20.423) 21.861 18.903 ( 17.364 -9.706 29.523) 35.600 19.379 ( 10.537 -9.845 4.845) 15.213 ======================= Grid point 311 (109/219) ======================= q-point: (-0.19 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -15.428 30.515 3.523) 34.374 1.897 ( -36.468 24.726 14.945) 46.526 2.840 ( -23.363 41.592 36.294) 59.942 2.906 ( -16.110 0.287 -23.390) 28.402 3.160 ( -21.112 -2.816 -26.514) 34.009 3.625 ( -15.289 -1.668 13.504) 20.467 3.915 ( -6.279 -3.155 15.559) 17.073 4.107 ( -19.412 -10.443 -2.889) 22.231 4.445 ( -4.417 -9.433 -1.185) 10.483 4.903 ( -30.247 6.081 -1.189) 30.875 4.955 ( -31.150 6.160 -0.896) 31.766 5.601 ( -1.708 -7.212 -21.136) 22.397 5.967 ( 1.391 0.383 1.656) 2.197 6.505 ( -0.678 -2.638 -21.723) 21.893 7.603 ( -16.427 4.034 10.465) 19.891 7.700 ( -18.065 -8.018 11.316) 22.775 7.884 ( -43.647 -17.093 -1.367) 46.895 8.686 ( 0.819 -12.434 -2.551) 12.719 9.133 ( -3.639 -0.115 1.038) 3.786 9.282 ( -2.516 4.649 -0.702) 5.333 9.323 ( -9.139 0.033 -1.671) 9.290 9.568 ( -1.067 8.024 -0.999) 8.156 9.993 ( 1.887 1.379 -0.125) 2.341 10.211 ( 1.704 -18.162 1.526) 18.305 10.271 ( 1.296 6.155 4.392) 7.672 10.833 ( 12.928 11.579 -10.392) 20.229 11.054 ( -0.625 -6.349 1.842) 6.640 11.347 ( -4.417 6.201 -6.807) 10.212 11.838 ( -1.906 -21.930 3.290) 22.257 12.301 ( 3.841 -10.769 -12.096) 16.644 12.457 ( 2.460 2.413 -3.708) 5.062 12.491 ( -0.273 0.291 -3.046) 3.072 12.723 ( 1.067 -4.354 -2.350) 5.061 13.107 ( 0.988 11.930 -7.888) 14.336 13.580 ( 1.947 1.443 9.379) 9.687 13.639 ( -0.381 3.392 9.096) 9.716 15.575 ( 5.189 1.654 6.851) 8.752 16.285 ( 5.604 13.404 -8.116) 16.641 17.301 ( 1.286 5.460 -18.522) 19.353 17.530 ( 6.155 -6.860 -12.277) 15.352 19.324 ( 16.931 -16.573 35.599) 42.762 19.621 ( 7.860 -9.453 11.046) 16.527 ======================= Grid point 312 (110/219) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.000 32.449 13.412) 35.111 1.201 ( 0.000 30.575 20.281) 36.690 2.317 ( 0.000 53.908 48.195) 72.311 2.606 ( 0.000 4.231 -20.447) 20.880 3.055 ( -0.000 -5.784 -32.753) 33.260 3.453 ( -0.000 -1.142 12.098) 12.152 3.932 ( -0.000 -12.803 20.443) 24.121 3.938 ( -0.000 -6.437 -3.819) 7.485 4.499 ( 0.000 2.144 1.139) 2.427 4.538 ( -0.000 -4.034 -7.221) 8.271 4.574 ( 0.000 3.010 -0.735) 3.099 5.630 ( -0.000 -2.288 -26.777) 26.875 6.042 ( -0.000 -5.286 0.816) 5.348 6.546 ( -0.000 -7.064 -17.407) 18.786 7.165 ( 0.000 6.619 0.838) 6.672 7.241 ( 0.000 7.873 -1.003) 7.937 7.734 ( -0.000 -6.909 30.981) 31.742 8.792 ( -0.000 -16.197 -3.631) 16.599 9.092 ( -0.000 -0.758 1.761) 1.917 9.202 ( 0.000 13.922 1.902) 14.051 9.228 ( 0.000 0.021 -1.530) 1.530 9.517 ( 0.000 5.588 -3.692) 6.698 9.973 ( 0.000 12.067 -1.252) 12.132 10.252 ( -0.000 -1.966 3.383) 3.913 10.347 ( -0.000 -15.565 -0.279) 15.568 10.946 ( 0.000 39.948 -35.243) 53.272 11.084 ( -0.000 -6.209 0.913) 6.276 11.164 ( -0.000 -5.820 -1.011) 5.908 11.952 ( -0.000 -21.791 5.596) 22.498 12.397 ( -0.000 -5.490 -3.630) 6.582 12.460 ( 0.000 0.926 0.680) 1.149 12.513 ( 0.000 0.873 -0.601) 1.060 12.765 ( -0.000 -8.517 -13.014) 15.554 13.052 ( 0.000 9.853 -8.984) 13.334 13.585 ( 0.000 0.744 6.432) 6.475 13.609 ( 0.000 4.415 11.985) 12.773 15.617 ( 0.000 0.625 6.111) 6.143 16.255 ( 0.000 9.980 -3.265) 10.501 17.245 ( 0.000 13.031 -15.692) 20.397 17.640 ( -0.000 -7.871 -11.490) 13.927 19.653 ( -0.000 -22.049 25.809) 33.945 19.807 ( -0.000 -20.502 26.915) 33.834 ======================= Grid point 317 (111/219) ======================= q-point: ( 0.19 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 5.385 -0.000 2.705) 6.026 3.456 ( 3.864 -0.000 -3.632) 5.302 3.697 ( -2.325 0.000 2.842) 3.672 3.956 ( -1.845 0.000 -4.163) 4.554 5.226 ( 17.541 -0.000 -7.115) 18.929 5.420 ( 22.406 -0.000 -11.039) 24.978 5.972 ( 0.990 -0.000 2.356) 2.556 6.113 ( 13.988 -0.000 5.954) 15.202 6.189 ( 3.792 -0.000 -1.525) 4.087 6.299 ( -2.781 0.000 0.276) 2.794 7.619 ( 15.893 -0.000 8.414) 17.983 7.824 ( 1.305 -0.000 2.311) 2.654 7.845 ( 11.910 -0.000 -4.125) 12.604 8.065 ( -4.473 0.000 4.056) 6.038 8.166 ( -24.190 0.000 2.240) 24.293 8.498 ( -3.560 0.000 -0.770) 3.642 8.626 ( 4.760 -0.000 0.942) 4.852 9.132 ( 19.566 -0.000 -7.498) 20.953 9.627 ( 14.560 -0.000 7.259) 16.269 9.969 ( 16.055 -0.000 -0.541) 16.064 10.259 ( -5.780 0.000 -3.502) 6.758 10.541 ( 11.921 -0.000 -7.556) 14.114 10.717 ( 15.887 -0.000 -2.405) 16.068 10.915 ( 0.093 -0.000 -0.365) 0.376 11.085 ( 3.146 -0.000 3.036) 4.371 11.209 ( -8.585 0.000 -0.052) 8.585 11.284 ( 16.929 -0.000 10.328) 19.831 11.339 ( 8.679 -0.000 -9.258) 12.690 11.753 ( -4.010 0.000 -5.395) 6.722 12.096 ( 11.287 -0.000 12.809) 17.073 12.293 ( -1.117 0.000 -3.726) 3.890 12.431 ( 3.001 -0.000 8.857) 9.352 12.460 ( -7.061 0.000 5.790) 9.131 13.080 ( -7.949 0.000 -12.532) 14.841 13.331 ( -5.579 0.000 -1.083) 5.683 13.607 ( 0.130 -0.000 -6.769) 6.770 13.803 ( -4.538 0.000 13.452) 14.196 14.286 ( -7.811 0.000 -0.091) 7.811 16.364 ( -11.668 0.000 -1.453) 11.758 16.676 ( -4.934 0.000 -14.510) 15.326 17.784 ( -19.085 0.000 16.198) 25.032 18.486 ( -18.325 0.000 -5.324) 19.083 ======================= Grid point 318 (112/219) ======================= q-point: ( 0.25 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.279 ( 2.769 -0.777 2.794) 4.010 3.504 ( 1.418 -0.019 -2.684) 3.035 3.646 ( -2.645 0.705 2.067) 3.430 3.915 ( -1.834 1.181 -4.498) 4.998 5.518 ( 11.368 -0.018 -5.094) 12.457 5.678 ( 3.935 -0.113 -3.653) 5.371 6.016 ( 3.086 4.678 -4.199) 7.003 6.127 ( -2.103 8.596 -2.733) 9.262 6.340 ( 3.035 -3.607 4.143) 6.275 6.385 ( 8.707 -8.685 1.998) 12.459 7.704 ( -17.079 4.042 0.915) 17.574 7.761 ( -8.018 5.348 0.873) 9.677 7.802 ( -2.254 -0.652 2.929) 3.753 7.946 ( 9.295 -7.044 5.272) 12.798 8.089 ( 2.542 -4.201 -7.137) 8.663 8.461 ( -0.050 -2.008 -4.399) 4.836 8.803 ( 10.848 2.060 14.110) 17.917 9.487 ( 16.590 3.962 -5.846) 18.031 9.762 ( -0.702 -3.004 3.764) 4.867 10.010 ( -13.572 0.473 -4.073) 14.178 10.269 ( 8.400 -1.532 2.490) 8.894 10.713 ( 4.150 -0.233 -11.014) 11.772 10.914 ( 3.909 4.097 -1.953) 5.990 10.952 ( 1.351 -0.794 -2.489) 2.941 11.107 ( 1.191 -0.490 4.176) 4.370 11.113 ( 1.379 1.182 7.577) 7.791 11.517 ( 3.755 5.776 -9.639) 11.848 11.574 ( 8.645 3.105 1.115) 9.253 11.702 ( 4.801 -3.940 6.005) 8.639 12.011 ( -11.543 -3.688 7.697) 14.356 12.363 ( -1.041 -0.490 10.558) 10.620 12.439 ( -2.065 2.163 1.626) 3.404 12.559 ( 13.763 5.481 -5.368) 15.757 12.734 ( -11.464 -8.244 -5.923) 15.313 13.438 ( 6.644 0.442 -2.301) 7.045 13.597 ( -0.445 0.431 -3.144) 3.204 13.791 ( 0.722 -1.270 8.048) 8.180 14.166 ( -4.898 0.067 -1.772) 5.210 16.181 ( -6.153 1.424 0.100) 6.316 16.606 ( -2.753 -0.323 -16.761) 16.989 17.436 ( -14.564 0.329 17.724) 22.943 18.130 ( -16.471 0.855 -5.131) 17.273 ======================= Grid point 319 (113/219) ======================= q-point: ( 0.31 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.327 ( 1.649 -1.185 2.524) 3.239 3.518 ( -0.485 -1.244 0.703) 1.509 3.590 ( -2.163 1.556 -0.385) 2.692 3.870 ( -1.697 2.740 -4.153) 5.257 5.662 ( 3.209 0.178 -4.492) 5.523 5.680 ( -2.150 -0.257 -0.607) 2.249 5.958 ( -5.824 5.125 -1.306) 7.867 6.017 ( -5.531 5.152 -1.962) 7.810 6.377 ( -0.995 -3.554 3.487) 5.077 6.554 ( 1.753 -7.039 -4.500) 8.537 7.463 ( -4.731 1.206 1.966) 5.263 7.618 ( -1.884 1.951 -1.543) 3.120 7.751 ( -4.848 -3.317 2.627) 6.435 8.136 ( 0.985 -1.946 -10.884) 11.100 8.170 ( 8.720 -3.955 4.462) 10.564 8.488 ( 0.315 -2.974 -1.607) 3.395 8.978 ( 9.009 7.957 17.812) 21.488 9.619 ( -5.090 5.121 -4.253) 8.379 9.706 ( -8.135 -8.476 0.475) 11.758 9.828 ( 2.624 -0.000 -1.237) 2.900 10.387 ( 2.049 -2.735 -1.458) 3.716 10.660 ( -8.919 -1.620 -9.219) 12.929 10.863 ( -4.668 4.400 -0.334) 6.424 10.983 ( 2.007 0.787 -1.905) 2.877 11.095 ( -2.686 2.179 4.211) 5.449 11.177 ( 1.829 -1.197 6.707) 7.054 11.365 ( -8.942 9.139 -2.854) 13.101 11.614 ( -2.716 1.470 3.878) 4.958 11.792 ( -5.784 -4.429 -3.699) 8.170 11.965 ( 7.412 -3.055 11.610) 14.109 12.295 ( -5.977 2.589 -2.044) 6.827 12.396 ( -0.339 -4.066 6.190) 7.414 12.627 ( 7.080 1.253 1.574) 7.361 12.937 ( 13.891 -0.281 -13.259) 19.205 13.490 ( -0.066 2.798 -1.490) 3.171 13.623 ( 2.528 -3.765 1.327) 4.725 13.812 ( 0.527 -0.210 5.592) 5.621 14.057 ( -7.105 -1.052 -1.154) 7.275 16.109 ( 0.025 2.931 0.430) 2.962 16.556 ( -2.305 -0.747 -17.115) 17.286 17.267 ( -1.980 -0.543 16.941) 17.065 17.871 ( -8.595 -0.259 -4.107) 9.529 ======================= Grid point 320 (114/219) ======================= q-point: (-0.62 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.360 ( 0.848 -1.259 1.155) 1.907 3.502 ( -2.774 -5.312 4.801) 7.679 3.545 ( -0.906 3.817 -2.904) 4.881 3.810 ( -2.391 4.036 -2.811) 5.469 5.617 ( -4.802 -0.419 -1.370) 5.011 5.624 ( -7.202 3.763 -3.049) 8.679 5.758 ( -10.097 1.002 -0.778) 10.176 5.848 ( -9.374 1.641 -0.462) 9.527 6.377 ( -1.160 -5.183 0.342) 5.322 6.535 ( -5.990 -4.887 -5.823) 9.678 7.482 ( 4.994 0.553 3.026) 5.866 7.610 ( -1.862 1.144 1.121) 2.456 7.660 ( -4.766 -3.992 2.230) 6.605 8.168 ( 1.715 -0.835 -12.189) 12.337 8.316 ( 3.531 -2.931 1.895) 4.965 8.480 ( -3.439 -2.881 -0.240) 4.493 9.060 ( 6.140 10.958 15.024) 19.584 9.412 ( -9.729 -0.088 -2.169) 9.968 9.669 ( -5.373 -17.396 1.201) 18.247 9.835 ( -3.074 6.778 1.071) 7.519 10.369 ( -5.071 1.019 -9.453) 10.776 10.467 ( -10.398 -1.668 -7.842) 13.130 10.729 ( -6.357 2.368 3.503) 7.635 10.951 ( -7.120 -1.786 -0.145) 7.342 10.987 ( -5.995 0.917 5.223) 8.004 11.122 ( -6.704 3.114 2.960) 7.963 11.227 ( -0.454 0.025 2.091) 2.139 11.528 ( -2.743 3.836 5.847) 7.512 11.705 ( -6.050 -7.188 -5.789) 11.036 12.021 ( -14.527 0.998 2.556) 14.783 12.141 ( 1.974 -0.494 5.765) 6.113 12.430 ( 1.290 -3.727 7.753) 8.698 12.848 ( 12.373 6.195 -3.070) 14.174 13.155 ( 9.181 0.681 -16.653) 19.028 13.443 ( -1.418 2.887 -2.560) 4.110 13.740 ( -6.870 3.260 -2.713) 8.074 13.762 ( 7.650 -2.434 10.343) 13.093 13.973 ( 0.835 -6.625 3.891) 7.728 16.134 ( 4.519 4.468 0.117) 6.356 16.569 ( 3.098 -3.699 -15.626) 16.354 17.334 ( 7.240 0.147 14.038) 15.796 17.821 ( 2.384 -4.260 -2.877) 5.666 ======================= Grid point 321 (115/219) ======================= q-point: (-0.56 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.370 ( -1.271 -2.958 -0.875) 3.336 3.476 ( -2.179 1.780 -1.094) 3.019 3.513 ( -1.311 -4.501 4.102) 6.229 3.725 ( -3.569 4.295 -0.604) 5.617 5.324 ( -16.722 5.737 1.210) 17.720 5.527 ( -5.379 -2.192 -2.465) 6.310 5.536 ( -15.108 0.811 -3.371) 15.500 5.648 ( -9.707 0.093 -3.796) 10.423 6.383 ( -3.037 -7.128 -1.602) 7.911 6.426 ( -7.242 -4.214 -2.448) 8.729 7.430 ( -10.619 -2.891 2.458) 11.276 7.554 ( -9.539 1.320 0.112) 9.630 7.645 ( 5.598 2.575 6.652) 9.067 8.217 ( 1.581 -0.862 -8.264) 8.458 8.328 ( -2.917 -1.916 1.757) 3.907 8.425 ( -2.063 -4.355 -3.996) 6.260 9.124 ( 4.081 4.511 6.012) 8.553 9.258 ( -6.265 -0.123 -0.267) 6.272 9.648 ( -6.471 -8.527 3.824) 11.367 9.653 ( -10.808 -2.292 3.354) 11.546 10.157 ( -13.696 4.967 -11.086) 18.307 10.285 ( -8.963 0.009 -5.933) 10.749 10.552 ( -14.554 -0.587 4.334) 15.197 10.723 ( -15.858 -5.307 0.766) 16.740 10.884 ( -4.592 -1.213 5.304) 7.120 10.993 ( -5.959 1.764 0.834) 6.270 11.227 ( -1.049 -2.976 2.725) 4.169 11.423 ( -10.600 4.728 2.351) 11.842 11.598 ( -12.608 -6.375 -4.891) 14.951 11.715 ( -2.513 -3.722 -1.468) 4.725 12.203 ( 1.685 0.200 7.982) 8.161 12.497 ( 3.671 -2.203 9.858) 10.747 12.866 ( -3.884 10.969 -4.250) 12.388 13.227 ( -3.186 -1.533 -2.323) 4.230 13.505 ( 3.414 4.829 -3.831) 7.047 13.581 ( 0.968 -1.310 -9.859) 9.993 14.033 ( 19.895 1.565 8.300) 21.614 14.193 ( 16.776 -3.819 2.682) 17.413 16.229 ( 7.459 3.840 0.045) 8.390 16.710 ( 7.398 -5.954 -17.140) 19.595 17.512 ( 10.691 0.594 14.764) 18.238 17.996 ( 10.174 -9.293 -2.473) 13.999 ======================= Grid point 322 (116/219) ======================= q-point: (-0.50 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.321 ( -5.761 0.241 -2.601) 6.326 3.408 ( -2.857 1.267 -3.431) 4.641 3.534 ( -1.434 -7.441 5.327) 9.263 3.633 ( -3.008 1.770 2.620) 4.364 4.943 ( -18.022 5.582 1.047) 18.896 5.160 ( -20.178 4.616 -4.066) 21.095 5.405 ( -12.532 0.736 -4.693) 13.402 5.461 ( -7.131 -6.590 -3.779) 10.419 6.257 ( -12.710 -4.877 -0.522) 13.624 6.322 ( -10.131 -8.927 -1.565) 13.593 7.156 ( -21.493 3.378 3.081) 21.974 7.254 ( -14.521 3.973 0.762) 15.074 7.655 ( -2.870 6.395 8.267) 10.838 8.189 ( -3.451 -6.564 -2.638) 7.871 8.366 ( 0.085 -8.045 -0.573) 8.066 8.455 ( 3.921 -2.579 -5.836) 7.489 8.990 ( -13.605 6.186 -0.993) 14.978 9.181 ( -8.743 4.967 -3.423) 10.622 9.467 ( -7.133 -5.288 3.114) 9.409 9.580 ( -3.299 -3.930 9.301) 10.623 9.813 ( -19.610 -2.141 -7.392) 21.066 10.039 ( -25.198 -0.444 2.932) 25.372 10.152 ( -13.690 -3.560 -0.722) 14.164 10.440 ( -18.400 -10.880 -5.029) 21.959 10.773 ( -8.676 -0.863 2.023) 8.951 10.839 ( -8.185 1.259 -0.289) 8.286 11.118 ( -9.619 -0.331 6.461) 11.592 11.233 ( -1.809 -6.472 2.814) 7.285 11.544 ( 0.386 -5.985 -9.647) 11.359 11.804 ( 6.686 -0.653 -6.755) 9.527 12.190 ( -2.363 1.266 9.137) 9.522 12.574 ( 2.191 1.634 8.342) 8.779 12.716 ( -3.057 3.137 5.315) 6.888 13.196 ( 2.161 3.863 3.012) 5.353 13.480 ( 0.132 2.388 -0.500) 2.443 13.652 ( 1.030 -0.605 -9.386) 9.462 14.525 ( 25.795 2.378 3.157) 26.096 14.639 ( 30.357 4.364 -1.173) 30.691 16.375 ( 8.515 0.393 -0.178) 8.526 16.905 ( 8.471 -5.481 -20.389) 22.749 17.748 ( 12.850 -2.053 18.037) 22.242 18.295 ( 12.861 -12.250 -2.420) 17.926 ======================= Grid point 323 (117/219) ======================= q-point: (-0.44 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.131 ( -11.030 7.646 -3.247) 13.808 3.314 ( -7.446 -1.468 -6.322) 9.878 3.500 ( -4.891 -1.815 7.573) 9.196 3.628 ( 0.609 -4.979 3.998) 6.415 4.560 ( -17.746 3.621 -1.401) 18.166 4.725 ( -19.422 7.209 -3.738) 21.052 5.060 ( -20.581 0.910 -0.587) 20.610 5.390 ( -7.067 -10.953 -9.296) 16.010 5.925 ( -25.516 -7.630 1.724) 26.688 6.074 ( -23.177 -14.143 -1.496) 27.192 6.554 ( -29.222 16.143 6.145) 33.945 6.955 ( -13.462 7.876 -5.618) 16.578 7.516 ( -6.205 6.705 13.877) 16.614 8.106 ( -17.127 -4.037 -0.353) 17.600 8.173 ( -27.727 3.218 -0.313) 27.915 8.499 ( -12.176 10.230 -11.484) 19.617 8.722 ( 1.503 -9.377 -0.307) 9.501 8.810 ( -10.955 3.183 0.604) 11.424 9.300 ( -21.326 -13.729 1.202) 25.392 9.512 ( -7.443 -5.145 2.216) 9.316 9.562 ( -13.249 -12.499 -0.297) 18.217 9.650 ( -2.833 -5.144 3.897) 7.048 9.991 ( -7.000 -0.952 -0.053) 7.065 10.218 ( -9.678 -10.654 -7.324) 16.150 10.540 ( -14.757 -1.151 2.182) 14.962 10.682 ( -7.119 -1.408 -2.530) 7.685 11.047 ( 0.477 -0.097 6.940) 6.957 11.262 ( -0.022 -9.926 3.371) 10.483 11.639 ( 3.958 -8.830 -13.425) 16.548 11.881 ( -1.091 5.257 -11.264) 12.478 12.152 ( 1.987 0.172 10.678) 10.863 12.553 ( 0.204 4.761 5.747) 7.466 12.732 ( 1.972 -1.483 10.492) 10.778 13.268 ( 8.332 8.200 6.384) 13.320 13.465 ( -1.000 2.638 -3.844) 4.768 13.651 ( -0.477 -0.575 -0.849) 1.131 14.948 ( 20.702 6.241 3.281) 21.870 15.295 ( 36.747 8.243 -6.338) 38.190 16.560 ( 8.826 -5.263 -0.897) 10.315 17.099 ( 8.561 -2.705 -23.726) 25.368 18.047 ( 15.131 -5.819 21.590) 26.999 18.629 ( 12.975 -12.990 -1.532) 18.424 ======================= Grid point 324 (118/219) ======================= q-point: (-0.38 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( -16.275 14.374 -5.021) 22.287 3.146 ( -10.226 -2.696 -10.099) 14.623 3.331 ( -11.171 9.146 13.536) 19.791 3.667 ( -1.088 -5.660 3.784) 6.895 4.213 ( -15.779 -0.671 -4.260) 16.357 4.317 ( -18.993 6.460 -5.802) 20.884 4.620 ( -22.030 0.492 6.014) 22.841 5.177 ( -31.060 -12.562 -5.751) 33.994 5.443 ( -39.524 -4.427 -0.068) 39.771 5.467 ( -21.987 -11.431 -4.327) 25.156 6.055 ( -11.795 8.297 7.310) 16.168 6.615 ( -17.499 10.607 -9.254) 22.458 7.067 ( -43.673 15.865 6.841) 46.966 7.346 ( -42.441 13.683 -4.624) 44.831 7.615 ( -10.740 -1.859 12.114) 16.295 8.338 ( -3.557 -1.286 -11.744) 12.338 8.705 ( -9.385 -7.300 -0.025) 11.890 8.802 ( -9.587 -7.607 2.824) 12.560 9.098 ( -2.889 -13.035 0.314) 13.355 9.386 ( -10.282 -22.192 -0.162) 24.459 9.434 ( -5.161 -4.707 3.399) 7.768 9.713 ( 0.859 -7.393 -0.584) 7.465 9.872 ( -4.787 -0.229 0.390) 4.808 10.072 ( -14.420 -3.517 -6.705) 16.287 10.325 ( -3.227 -3.572 4.934) 6.893 10.616 ( -0.454 -2.803 -3.488) 4.498 11.077 ( 1.006 -0.608 4.612) 4.759 11.353 ( 1.933 -13.101 4.927) 14.130 11.686 ( -7.879 7.466 2.029) 11.042 11.806 ( 3.665 -8.777 -18.659) 20.944 12.257 ( 6.304 -0.590 -1.647) 6.543 12.562 ( 2.756 2.627 4.851) 6.167 12.750 ( -0.165 2.911 7.008) 7.590 13.361 ( 2.424 11.400 -0.544) 11.667 13.439 ( 4.235 1.384 5.094) 6.767 13.659 ( 0.902 -0.090 4.993) 5.074 15.269 ( 15.852 7.294 5.357) 18.253 15.918 ( 31.389 12.512 -10.529) 35.394 16.788 ( 9.075 -11.628 -2.289) 14.926 17.272 ( 8.372 0.891 -26.102) 27.426 18.408 ( 16.993 -7.665 24.625) 30.886 18.955 ( 12.178 -12.249 0.908) 17.296 ======================= Grid point 325 (119/219) ======================= q-point: (-0.31 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -16.955 22.960 -6.481) 29.269 2.904 ( -20.305 19.796 8.992) 29.750 2.984 ( -11.685 -5.807 -9.991) 16.434 3.577 ( -13.166 -1.812 3.019) 13.629 3.828 ( -26.313 6.578 -10.182) 28.970 3.959 ( -12.194 -1.019 3.878) 12.836 4.238 ( -15.024 7.574 12.103) 20.726 4.499 ( -35.361 -8.815 3.091) 36.574 4.579 ( -37.783 -4.514 4.216) 38.284 5.362 ( -5.966 -11.155 -16.977) 21.172 5.807 ( -26.876 2.675 3.255) 27.204 5.978 ( -42.400 12.995 2.149) 44.399 6.038 ( -28.264 0.899 2.202) 28.364 6.711 ( -11.799 14.085 -21.438) 28.234 7.566 ( -0.394 -4.180 20.406) 20.834 8.185 ( -17.290 -1.735 -6.869) 18.685 8.364 ( -29.561 -10.532 -1.729) 31.429 8.598 ( -8.448 -3.914 0.279) 9.315 9.153 ( -0.656 -9.025 -0.705) 9.077 9.303 ( -7.705 -5.852 2.485) 9.990 9.446 ( -3.012 -11.388 3.307) 12.235 9.719 ( -6.697 1.939 -0.162) 6.974 9.796 ( -3.384 -14.669 -4.438) 15.694 9.897 ( -0.576 -9.457 -1.975) 9.678 10.382 ( 6.393 5.792 5.432) 10.194 10.691 ( 6.169 -2.600 -2.945) 7.313 11.050 ( -4.203 -0.366 4.908) 6.472 11.475 ( 0.372 -17.618 4.674) 18.231 11.515 ( -1.442 10.402 3.239) 10.990 11.956 ( 3.086 -15.419 -20.313) 25.688 12.379 ( 5.978 0.549 -3.866) 7.141 12.582 ( -2.045 0.468 -8.158) 8.423 12.713 ( 1.207 6.055 12.698) 14.119 13.299 ( -0.271 9.109 -5.181) 10.483 13.551 ( 6.587 4.832 10.912) 13.631 13.675 ( 0.771 1.063 6.855) 6.979 15.485 ( 10.051 5.408 7.394) 13.599 16.334 ( 18.527 15.886 -12.616) 27.474 17.046 ( 8.377 -15.445 -5.180) 18.318 17.417 ( 7.796 4.447 -26.536) 28.013 18.795 ( 17.074 -8.039 27.748) 33.557 19.252 ( 10.628 -11.205 4.964) 16.222 ======================= Grid point 326 (120/219) ======================= q-point: (-0.25 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -10.376 31.790 -5.490) 33.888 2.195 ( -33.919 24.719 10.217) 43.197 2.866 ( -6.490 -6.254 -20.678) 22.557 3.088 ( -29.402 -0.430 -10.596) 31.256 3.340 ( -11.553 28.884 14.132) 34.168 3.644 ( -16.642 5.608 13.115) 21.918 3.924 ( -8.155 4.322 17.954) 20.187 3.988 ( -18.600 -8.407 -2.833) 20.607 4.323 ( -1.096 -10.161 0.984) 10.267 4.969 ( -33.816 4.724 0.410) 34.147 5.016 ( -34.063 4.197 -1.531) 34.355 5.479 ( -2.922 -11.294 -17.096) 20.697 5.943 ( 0.180 -5.190 3.024) 6.009 6.529 ( -2.393 7.594 -26.174) 27.358 7.590 ( -2.771 -4.784 19.440) 20.211 7.697 ( -25.411 5.658 -1.645) 26.085 7.761 ( -31.136 -4.288 3.067) 31.579 8.565 ( -0.584 -8.006 -4.279) 9.096 9.124 ( -4.336 -1.304 1.832) 4.885 9.256 ( -1.557 -7.489 -0.870) 7.698 9.321 ( -8.685 -0.595 -1.833) 8.897 9.645 ( -0.586 0.992 6.652) 6.751 9.908 ( 2.451 -12.855 -8.128) 15.405 9.986 ( 0.675 -16.025 0.952) 16.068 10.439 ( 5.218 17.075 9.004) 19.996 10.878 ( 10.745 -1.947 -3.166) 11.370 10.979 ( -2.812 -5.458 3.078) 6.868 11.457 ( -1.005 11.542 -3.482) 12.098 11.566 ( -2.753 -22.811 2.756) 23.141 12.109 ( 2.026 -18.978 -18.855) 26.829 12.481 ( 4.394 1.150 -1.814) 4.891 12.502 ( -2.871 1.583 -5.031) 6.005 12.726 ( 1.535 3.681 5.846) 7.077 13.246 ( 0.507 10.436 -8.001) 13.160 13.614 ( 2.383 4.445 9.009) 10.325 13.676 ( 0.659 2.758 8.801) 9.247 15.603 ( 4.542 3.099 8.315) 9.969 16.460 ( 4.843 15.279 -10.675) 19.258 17.271 ( 5.250 -10.750 -10.512) 15.926 17.519 ( 5.285 5.079 -23.308) 24.433 19.158 ( 13.014 -11.292 31.013) 35.478 19.498 ( 7.231 -10.803 10.032) 16.420 ======================= Grid point 327 (121/219) ======================= q-point: (-0.19 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 0.000 31.144 13.550) 33.964 1.585 ( 0.000 37.367 -2.256) 37.435 2.663 ( 0.000 5.090 -16.549) 17.314 2.895 ( 0.000 9.334 5.785) 10.982 3.009 ( 0.000 29.884 0.792) 29.895 3.438 ( -0.000 -1.259 9.790) 9.870 3.849 ( -0.000 -8.243 -3.275) 8.870 3.853 ( -0.000 -0.770 20.326) 20.341 4.456 ( -0.000 -9.059 -1.722) 9.221 4.529 ( 0.000 2.643 1.181) 2.895 4.612 ( 0.000 3.161 -0.866) 3.278 5.540 ( -0.000 -11.490 -20.248) 23.281 5.998 ( -0.000 -4.557 -0.891) 4.643 6.489 ( -0.000 -0.201 -24.544) 24.545 7.261 ( 0.000 9.141 1.017) 9.198 7.354 ( 0.000 10.753 -1.252) 10.826 7.657 ( -0.000 -5.917 27.263) 27.897 8.624 ( -0.000 -11.439 -4.552) 12.312 9.081 ( -0.000 -1.112 1.924) 2.222 9.228 ( 0.000 0.008 -1.650) 1.650 9.272 ( -0.000 -1.924 -1.628) 2.520 9.615 ( 0.000 7.962 2.914) 8.479 9.992 ( -0.000 -7.168 -4.278) 8.347 10.108 ( -0.000 -20.588 1.877) 20.673 10.375 ( 0.000 18.619 8.409) 20.430 10.997 ( -0.000 -8.234 0.993) 8.294 11.082 ( -0.000 -7.643 -1.073) 7.718 11.295 ( 0.000 21.123 -18.070) 27.798 11.676 ( -0.000 -23.548 4.184) 23.917 12.251 ( -0.000 -18.561 -14.930) 23.821 12.471 ( 0.000 0.973 0.668) 1.181 12.524 ( 0.000 0.917 -0.596) 1.094 12.719 ( 0.000 1.498 -1.946) 2.456 13.185 ( 0.000 11.439 -10.261) 15.367 13.607 ( 0.000 3.105 7.004) 7.662 13.663 ( 0.000 4.257 10.639) 11.459 15.632 ( 0.000 1.895 7.994) 8.216 16.405 ( 0.000 14.288 -6.896) 15.865 17.350 ( 0.000 1.383 -16.391) 16.449 17.563 ( -0.000 -1.933 -16.551) 16.664 19.391 ( -0.000 -17.869 32.762) 37.319 19.644 ( -0.000 -11.450 14.404) 18.401 ======================= Grid point 334 (122/219) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( 1.796 -0.000 2.998) 3.494 3.510 ( -1.264 0.000 1.197) 1.741 3.600 ( -1.763 0.000 -0.973) 2.013 3.887 ( -1.589 0.000 -4.904) 5.155 5.662 ( 3.414 -0.000 -4.172) 5.391 5.678 ( -2.155 0.000 -0.272) 2.172 5.994 ( -7.278 0.000 -1.984) 7.543 6.051 ( -6.860 0.000 -2.761) 7.395 6.355 ( -0.626 0.000 4.454) 4.498 6.506 ( 3.159 -0.000 -3.180) 4.482 7.471 ( -5.233 0.000 1.823) 5.541 7.630 ( -2.659 0.000 -2.009) 3.332 7.729 ( -5.249 0.000 2.535) 5.829 8.124 ( 1.630 -0.000 -12.573) 12.678 8.146 ( 9.831 -0.000 5.281) 11.160 8.471 ( 0.632 -0.000 -1.617) 1.737 9.033 ( 11.050 -0.000 18.781) 21.791 9.602 ( -7.726 0.000 -1.204) 7.819 9.701 ( -15.757 0.000 -1.765) 15.856 9.825 ( 10.012 -0.000 -2.654) 10.358 10.369 ( 2.535 -0.000 -0.992) 2.722 10.649 ( -9.096 0.000 -9.217) 12.950 10.892 ( -5.235 0.000 -0.249) 5.241 10.986 ( 1.196 -0.000 -1.618) 2.012 11.110 ( -2.846 0.000 4.844) 5.618 11.169 ( 2.020 -0.000 5.572) 5.927 11.436 ( -11.726 0.000 -3.173) 12.148 11.603 ( -0.656 0.000 -3.092) 3.161 11.775 ( -9.402 0.000 2.352) 9.692 11.943 ( 11.751 -0.000 12.786) 17.365 12.320 ( -7.779 0.000 -4.444) 8.959 12.360 ( 0.669 -0.000 9.675) 9.698 12.635 ( 6.492 -0.000 0.510) 6.512 12.935 ( 16.202 -0.000 -12.951) 20.742 13.511 ( 0.306 -0.000 -2.339) 2.359 13.595 ( 1.420 -0.000 0.854) 1.657 13.811 ( 1.610 -0.000 6.850) 7.036 14.050 ( -8.043 0.000 -1.555) 8.192 16.128 ( 0.264 -0.000 0.184) 0.322 16.551 ( -2.821 0.000 -16.864) 17.098 17.263 ( -2.022 0.000 16.942) 17.062 17.869 ( -9.332 0.000 -4.122) 10.202 ======================= Grid point 335 (123/219) ======================= q-point: (-0.69 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( 1.439 -0.080 2.562) 2.940 3.454 ( -4.331 -2.225 4.498) 6.629 3.578 ( -0.559 1.445 -2.703) 3.116 3.845 ( -2.430 1.515 -4.710) 5.513 5.614 ( -4.399 -0.034 -0.631) 4.444 5.659 ( -3.813 1.690 -4.271) 5.969 5.765 ( -13.978 0.217 1.230) 14.034 5.865 ( -11.304 0.858 -0.396) 11.344 6.332 ( -1.711 -1.995 0.632) 2.704 6.491 ( -4.529 -2.131 -5.280) 7.276 7.485 ( 3.781 -0.016 2.046) 4.299 7.609 ( -5.510 -0.857 4.160) 6.957 7.637 ( 0.504 -0.156 -1.552) 1.639 8.159 ( 2.276 -0.458 -14.392) 14.578 8.292 ( 4.113 -0.987 3.427) 5.443 8.457 ( -2.840 -0.921 0.205) 2.992 9.187 ( 5.249 8.526 14.609) 17.711 9.411 ( -11.049 0.705 -1.545) 11.179 9.484 ( -6.378 -11.953 2.763) 13.827 9.901 ( -3.052 3.217 0.044) 4.435 10.371 ( -3.109 -0.208 -8.538) 9.089 10.452 ( -9.581 -0.688 -8.214) 12.639 10.752 ( -7.980 1.120 2.380) 8.402 10.934 ( -7.755 -0.775 0.453) 7.807 10.998 ( -7.195 0.636 5.508) 9.083 11.141 ( -6.184 0.372 4.216) 7.494 11.240 ( -3.938 1.333 -0.435) 4.180 11.554 ( -2.790 0.369 1.996) 3.450 11.649 ( -4.431 -1.863 -1.706) 5.100 12.029 ( -17.197 0.322 2.460) 17.375 12.137 ( 2.951 -0.176 6.742) 7.362 12.396 ( 2.407 -1.634 8.150) 8.654 12.904 ( 17.177 2.645 -2.669) 17.583 13.154 ( 4.538 -0.418 -17.732) 18.308 13.473 ( -1.691 1.559 -4.584) 5.128 13.726 ( 12.640 -1.565 4.511) 13.511 13.803 ( -9.614 5.389 3.315) 11.509 13.892 ( 0.797 -6.368 5.438) 8.411 16.179 ( 5.143 2.341 -0.661) 5.689 16.531 ( 1.251 -2.048 -13.848) 14.054 17.338 ( 8.230 0.272 12.637) 15.083 17.785 ( 0.435 -1.653 -2.530) 3.053 ======================= Grid point 336 (124/219) ======================= q-point: (-0.62 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( -3.449 -1.145 2.431) 4.372 3.419 ( -0.384 -5.006 4.313) 6.619 3.544 ( -1.610 3.431 -2.132) 4.348 3.767 ( -4.252 2.425 -3.514) 6.026 5.397 ( -16.476 5.820 1.904) 17.578 5.507 ( -6.882 -1.047 -1.746) 7.177 5.540 ( -13.148 -0.356 -3.392) 13.583 5.642 ( -10.256 -1.012 -2.159) 10.529 6.309 ( -3.321 -4.669 -1.104) 5.835 6.384 ( -7.403 -2.565 -3.332) 8.514 7.400 ( -9.657 -1.866 2.114) 10.060 7.570 ( -7.950 1.082 -1.907) 8.247 7.673 ( 7.473 1.787 5.726) 9.582 8.207 ( -0.240 -0.647 -8.944) 8.970 8.309 ( -2.816 -1.246 1.973) 3.657 8.386 ( -2.681 -2.038 -2.537) 4.216 9.150 ( -4.428 0.171 0.645) 4.478 9.257 ( -3.584 0.767 -0.104) 3.666 9.508 ( -0.423 -9.016 11.000) 14.229 9.703 ( -12.351 4.111 2.549) 13.264 10.207 ( -13.075 3.014 -12.082) 18.056 10.281 ( -8.640 -0.570 -5.747) 10.392 10.553 ( -14.524 0.666 2.968) 14.839 10.667 ( -19.300 -3.835 1.395) 19.727 10.873 ( -5.036 -0.515 6.336) 8.110 11.012 ( -5.857 1.193 0.684) 6.017 11.198 ( -2.101 -1.603 1.794) 3.194 11.473 ( -11.028 2.757 -0.519) 11.379 11.535 ( -16.574 -3.060 -1.907) 16.961 11.677 ( 0.801 -2.706 0.143) 2.826 12.206 ( 2.051 0.298 8.347) 8.600 12.474 ( 4.362 -1.549 9.725) 10.770 12.988 ( -6.694 8.927 -8.108) 13.793 13.197 ( 0.076 -3.375 0.380) 3.397 13.540 ( 7.470 0.484 -13.233) 15.204 13.581 ( -5.925 1.704 1.505) 6.347 14.050 ( 19.819 1.357 7.642) 21.285 14.147 ( 21.490 -3.503 1.559) 21.829 16.285 ( 7.486 4.920 -1.237) 9.043 16.630 ( 5.645 -6.532 -13.433) 15.968 17.534 ( 11.633 2.432 11.150) 16.296 17.898 ( 8.043 -6.531 -1.350) 10.449 ======================= Grid point 337 (125/219) ======================= q-point: (-0.56 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.274 ( -5.405 -5.344 1.712) 7.791 3.449 ( -0.867 -0.366 -1.388) 1.677 3.475 ( -2.064 1.525 2.208) 3.385 3.655 ( -5.353 1.475 -0.813) 5.612 5.019 ( -17.811 6.495 2.069) 19.071 5.213 ( -17.690 4.071 -4.143) 18.620 5.379 ( -7.891 -4.656 -3.542) 9.823 5.418 ( -14.300 -0.922 -3.472) 14.744 6.207 ( -12.998 -3.538 -0.988) 13.507 6.217 ( -11.762 -7.664 -0.851) 14.064 7.195 ( -12.407 2.696 2.970) 13.039 7.311 ( -14.882 5.005 -0.108) 15.702 7.735 ( -0.565 6.665 5.535) 8.683 8.113 ( -6.669 -6.035 -0.713) 9.023 8.268 ( -3.801 -7.567 0.047) 8.468 8.425 ( 3.629 -2.298 -7.744) 8.856 9.025 ( -9.223 -0.043 -1.825) 9.402 9.198 ( -6.530 -1.440 -4.229) 7.912 9.441 ( -10.747 1.238 3.101) 11.254 9.548 ( 1.302 -1.433 11.558) 11.719 9.816 ( -25.755 1.736 -6.925) 26.726 10.039 ( -32.859 0.526 3.504) 33.050 10.120 ( -8.609 -1.409 -1.964) 8.942 10.309 ( -21.254 -10.774 -4.493) 24.249 10.761 ( -8.380 -0.935 2.446) 8.779 10.861 ( -8.731 1.807 -0.552) 8.933 11.115 ( -10.403 -0.271 7.588) 12.879 11.166 ( -2.727 -4.324 2.156) 5.549 11.474 ( -0.501 -5.107 -9.195) 10.530 11.806 ( 8.406 0.580 -6.740) 10.790 12.209 ( -1.042 1.707 8.552) 8.782 12.574 ( 4.675 -0.895 12.287) 13.177 12.761 ( -8.542 3.661 -0.604) 9.313 13.237 ( 4.863 2.818 4.805) 7.395 13.508 ( -0.194 2.052 1.685) 2.663 13.644 ( 1.363 -0.614 -9.814) 9.927 14.546 ( 27.752 1.254 2.674) 27.909 14.679 ( 31.961 2.227 -2.518) 32.137 16.407 ( 7.670 4.742 -1.397) 9.125 16.811 ( 7.495 -9.578 -16.053) 20.140 17.756 ( 12.799 3.134 13.383) 18.781 18.154 ( 11.807 -11.054 -0.931) 16.200 ======================= Grid point 338 (126/219) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( -8.966 -2.027 -2.137) 9.438 3.333 ( -6.530 5.312 -3.287) 9.036 3.469 ( -2.548 -2.914 3.425) 5.168 3.584 ( -1.157 -2.824 2.940) 4.237 4.620 ( -18.798 6.030 1.288) 19.783 4.816 ( -18.285 7.886 -4.961) 20.522 5.069 ( -20.843 0.299 -1.255) 20.883 5.261 ( -9.100 -10.238 -7.529) 15.631 5.846 ( -26.542 -5.418 0.722) 27.099 5.916 ( -25.516 -11.697 -0.873) 28.083 6.763 ( -22.376 17.871 5.126) 29.092 7.043 ( -10.581 6.344 -1.631) 12.445 7.601 ( -5.967 7.797 9.149) 13.420 8.035 ( -10.908 -6.969 0.843) 12.971 8.173 ( -16.809 -3.711 -1.096) 17.249 8.527 ( 2.740 -6.230 -6.777) 9.605 8.711 ( -20.291 8.281 -3.256) 22.156 8.869 ( -20.142 6.185 -3.225) 21.316 9.143 ( -23.532 -11.334 1.167) 26.146 9.376 ( -19.768 -12.913 -4.438) 24.025 9.468 ( -11.625 -5.635 5.453) 14.023 9.614 ( -0.891 -2.717 6.906) 7.474 9.980 ( -6.456 -0.942 -1.125) 6.621 10.091 ( -6.765 -9.859 -5.271) 13.067 10.527 ( -15.452 -1.021 1.922) 15.604 10.675 ( -8.236 0.123 -2.404) 8.580 11.044 ( -0.112 -0.568 5.971) 5.999 11.161 ( -0.384 -6.595 4.942) 8.250 11.539 ( 2.481 -7.468 -14.161) 16.200 11.936 ( 3.581 3.683 -13.436) 14.384 12.172 ( 0.744 2.810 10.900) 11.281 12.606 ( -0.926 3.730 4.127) 5.640 12.708 ( 3.322 -2.202 15.238) 15.751 13.354 ( 9.169 5.964 5.216) 12.118 13.502 ( 0.147 3.394 -1.253) 3.620 13.641 ( -0.980 -1.000 -1.651) 2.165 15.029 ( 23.373 7.342 1.887) 24.572 15.357 ( 36.138 1.865 -6.653) 36.793 16.534 ( 7.322 1.325 -1.567) 7.604 17.031 ( 9.005 -8.559 -21.248) 24.614 18.015 ( 14.825 0.457 18.121) 23.417 18.473 ( 12.946 -12.773 -0.140) 18.187 ======================= Grid point 339 (127/219) ======================= q-point: (-0.44 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( -13.380 6.812 -6.103) 16.207 3.142 ( -9.561 3.959 -5.213) 11.587 3.403 ( -5.467 1.869 7.954) 9.831 3.607 ( -0.137 -4.405 2.719) 5.178 4.212 ( -19.565 1.582 -0.865) 19.648 4.403 ( -19.835 7.263 -6.650) 22.145 4.631 ( -20.886 1.506 3.873) 21.296 5.030 ( -29.872 -11.606 -5.101) 32.451 5.327 ( -33.144 -11.581 -2.112) 35.172 5.357 ( -24.692 -9.057 -3.788) 26.572 6.237 ( -16.805 20.260 8.416) 27.635 6.740 ( -18.142 9.667 -6.310) 21.504 7.245 ( -42.109 13.658 8.738) 45.123 7.494 ( -36.793 11.154 -0.970) 38.459 7.609 ( -14.508 1.173 8.010) 16.614 8.338 ( -6.585 0.826 -13.069) 14.658 8.597 ( -8.843 -10.444 -1.399) 13.756 8.739 ( -5.043 -4.832 3.092) 7.638 8.906 ( -5.608 -16.738 -1.494) 17.715 9.118 ( -12.828 -21.090 -0.688) 24.694 9.391 ( -3.969 -3.240 4.590) 6.878 9.609 ( -3.168 -9.132 1.171) 9.736 9.869 ( -5.011 -0.398 -1.239) 5.177 10.032 ( -11.753 -3.292 -6.960) 14.051 10.284 ( -2.472 -3.171 5.901) 7.140 10.581 ( -1.527 -2.722 -3.395) 4.611 11.048 ( -1.316 -4.483 1.642) 4.952 11.232 ( 2.624 -6.150 9.109) 11.299 11.638 ( 1.673 -10.025 -16.986) 19.795 11.857 ( -4.069 11.565 -3.401) 12.723 12.256 ( 6.767 0.156 -1.001) 6.843 12.587 ( 0.421 1.056 2.093) 2.382 12.784 ( 3.390 2.861 15.878) 16.486 13.434 ( -3.118 1.978 -2.901) 4.696 13.515 ( 9.903 9.820 6.310) 15.308 13.652 ( 1.194 -1.068 4.850) 5.108 15.369 ( 16.116 9.459 4.206) 19.154 16.021 ( 31.507 3.279 -11.133) 33.576 16.685 ( 7.056 -4.066 -1.878) 8.357 17.258 ( 10.130 -3.438 -27.002) 29.044 18.341 ( 17.332 -3.065 23.070) 29.017 18.805 ( 12.702 -12.503 2.075) 17.944 ======================= Grid point 340 (128/219) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -13.267 16.183 -9.478) 22.972 2.931 ( -9.489 1.201 -8.779) 12.983 3.134 ( -19.237 15.332 10.940) 26.923 3.560 ( -9.415 -1.147 0.110) 9.485 3.872 ( -20.439 -1.104 -3.905) 20.838 3.931 ( -17.309 -0.453 -4.487) 17.886 4.274 ( -22.495 -1.648 6.629) 23.509 4.367 ( -26.889 -8.870 3.754) 28.562 4.591 ( -35.186 0.240 5.204) 35.570 5.224 ( -6.424 -11.673 -15.456) 20.406 5.844 ( -24.395 4.520 5.722) 25.461 6.066 ( -39.012 3.842 -2.058) 39.255 6.178 ( -42.005 20.729 4.799) 47.086 6.896 ( -12.038 15.890 -10.503) 22.533 7.529 ( -0.719 -1.410 15.750) 15.829 8.170 ( -15.915 -1.250 -6.517) 17.243 8.295 ( -22.446 -1.355 -2.637) 22.641 8.554 ( -10.741 -3.832 -2.211) 11.616 8.974 ( 0.008 -19.546 1.397) 19.596 9.202 ( 0.245 -16.388 4.560) 17.012 9.307 ( -4.519 -6.354 3.040) 8.369 9.623 ( -3.018 -14.171 -1.593) 14.576 9.709 ( -16.050 -2.781 -1.011) 16.320 9.833 ( 0.891 -1.487 -6.079) 6.322 10.415 ( 9.709 -0.082 3.648) 10.372 10.643 ( 5.179 -4.745 -2.391) 7.420 11.035 ( -3.247 -3.729 2.099) 5.372 11.293 ( -1.795 -9.750 9.260) 13.566 11.662 ( -0.151 8.191 -0.296) 8.197 11.796 ( 1.221 -6.681 -18.851) 20.037 12.386 ( 6.315 0.556 -4.091) 7.545 12.580 ( -1.957 -0.808 -4.668) 5.126 12.797 ( 1.749 7.622 16.097) 17.896 13.368 ( -1.390 2.565 -1.744) 3.399 13.641 ( 7.915 9.580 7.690) 14.614 13.680 ( 1.172 -0.053 6.372) 6.479 15.562 ( 9.105 7.523 7.024) 13.742 16.505 ( 19.785 10.972 -15.540) 27.447 16.860 ( 5.993 -13.991 -1.991) 15.350 17.462 ( 9.964 2.807 -30.066) 31.799 18.715 ( 17.319 -5.037 26.135) 31.754 19.114 ( 11.075 -11.499 5.838) 16.999 ======================= Grid point 341 (129/219) ======================= q-point: (-0.31 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -7.645 25.310 -10.285) 28.369 2.485 ( -29.652 23.158 6.025) 38.103 2.790 ( -5.189 -3.449 -13.243) 14.635 3.104 ( -29.875 3.042 -9.304) 31.438 3.523 ( -8.920 5.288 3.079) 10.817 3.708 ( -12.226 0.200 7.245) 14.213 3.868 ( -15.363 -8.515 2.780) 17.784 4.049 ( -11.602 5.962 13.489) 18.764 4.244 ( 0.458 1.255 5.729) 5.883 5.003 ( -31.041 -0.320 0.158) 31.043 5.055 ( -35.261 2.343 -3.091) 35.473 5.378 ( -10.679 -3.975 -13.919) 17.988 5.883 ( -1.571 -1.003 5.546) 5.851 6.675 ( -2.916 15.358 -19.255) 24.802 7.542 ( -0.297 -2.978 18.042) 18.289 7.734 ( -23.228 2.182 1.867) 23.405 7.803 ( -21.652 8.439 -2.296) 23.352 8.483 ( -1.663 -6.164 -6.832) 9.351 9.081 ( -0.524 -9.949 2.002) 10.162 9.141 ( -4.659 -7.294 3.327) 9.273 9.305 ( -6.269 -2.580 -1.011) 6.854 9.546 ( -2.376 -15.801 7.592) 17.690 9.707 ( -0.200 -17.691 -1.513) 17.757 9.892 ( 2.720 -2.230 -10.098) 10.693 10.599 ( 10.013 7.205 5.654) 13.569 10.822 ( 8.645 -6.457 -1.596) 10.908 10.945 ( -6.102 0.444 5.125) 7.981 11.311 ( -3.794 -18.142 4.311) 19.029 11.613 ( 1.037 13.720 0.599) 13.772 11.888 ( 0.410 -16.313 -22.330) 27.656 12.489 ( 3.921 0.416 -2.424) 4.629 12.519 ( -2.656 1.167 -3.156) 4.287 12.788 ( 1.423 6.231 10.486) 12.280 13.340 ( 0.288 4.860 -3.990) 6.294 13.678 ( 0.779 3.897 6.037) 7.228 13.717 ( 3.509 6.317 8.838) 11.416 15.651 ( 3.953 5.014 8.912) 10.963 16.641 ( 4.113 14.516 -13.257) 20.085 17.097 ( 6.618 -16.772 -6.804) 19.271 17.598 ( 6.319 6.928 -29.657) 31.104 19.048 ( 11.685 -7.132 27.464) 30.687 19.366 ( 7.217 -10.893 10.241) 16.601 ======================= Grid point 342 (130/219) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 0.000 28.781 9.043) 30.169 2.019 ( 0.000 33.511 -10.933) 35.249 2.724 ( 0.000 4.958 -12.000) 12.984 2.783 ( -0.000 -9.620 -18.870) 21.181 3.423 ( -0.000 -1.088 6.962) 7.046 3.490 ( 0.000 28.725 18.768) 34.313 3.743 ( -0.000 -9.407 -2.647) 9.772 3.913 ( 0.000 11.185 20.629) 23.466 4.342 ( -0.000 -8.338 1.876) 8.547 4.561 ( 0.000 2.665 1.184) 2.916 4.648 ( 0.000 2.802 -0.937) 2.955 5.386 ( -0.000 -12.654 -19.046) 22.866 5.911 ( -0.000 -8.136 3.137) 8.720 6.566 ( 0.000 12.236 -24.479) 27.367 7.381 ( 0.000 10.630 1.217) 10.700 7.494 ( 0.000 12.310 -1.547) 12.407 7.591 ( -0.000 -5.012 23.197) 23.732 8.513 ( -0.000 -7.585 -6.559) 10.028 9.065 ( -0.000 -1.420 2.142) 2.570 9.190 ( -0.000 -11.149 0.788) 11.176 9.228 ( -0.000 -0.019 -1.810) 1.810 9.618 ( -0.000 -9.358 11.553) 14.868 9.826 ( -0.000 -20.531 -3.736) 20.869 9.939 ( -0.000 -4.413 -9.391) 10.377 10.630 ( 0.000 21.572 11.777) 24.578 10.891 ( -0.000 -9.196 1.106) 9.262 10.985 ( -0.000 -8.407 -1.160) 8.486 11.382 ( -0.000 -20.733 1.155) 20.765 11.525 ( 0.000 14.736 -4.348) 15.364 12.005 ( -0.000 -20.257 -20.084) 28.526 12.482 ( 0.000 0.794 0.657) 1.031 12.534 ( 0.000 0.748 -0.592) 0.954 12.767 ( 0.000 5.371 4.228) 6.835 13.306 ( 0.000 7.861 -7.663) 10.978 13.658 ( 0.000 4.667 5.899) 7.521 13.715 ( 0.000 5.281 9.895) 11.216 15.664 ( 0.000 3.560 9.340) 9.995 16.582 ( 0.000 14.649 -10.393) 17.961 17.258 ( -0.000 -13.488 -9.699) 16.613 17.616 ( 0.000 7.875 -27.152) 28.271 19.224 ( -0.000 -10.526 28.681) 30.552 19.509 ( -0.000 -11.102 12.778) 16.928 ======================= Grid point 351 (131/219) ======================= q-point: (-0.69 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( -6.046 0.000 5.476) 8.157 3.386 ( 1.720 -0.000 2.209) 2.800 3.566 ( -1.312 0.000 -1.962) 2.360 3.782 ( -4.586 0.000 -4.870) 6.689 5.440 ( -17.271 0.000 2.657) 17.474 5.501 ( -7.412 0.000 -1.355) 7.535 5.532 ( -11.183 0.000 -4.245) 11.962 5.634 ( -10.846 0.000 -1.154) 10.907 6.280 ( -3.648 0.000 -0.918) 3.761 6.368 ( -7.231 0.000 -3.663) 8.106 7.388 ( -9.038 0.000 1.932) 9.242 7.577 ( -7.389 0.000 -2.768) 7.890 7.684 ( 8.115 -0.000 5.379) 9.735 8.203 ( -0.769 0.000 -9.249) 9.281 8.301 ( -2.941 0.000 2.133) 3.633 8.375 ( -2.962 0.000 -1.912) 3.526 9.147 ( -7.614 0.000 -1.114) 7.695 9.266 ( -6.030 0.000 -3.752) 7.103 9.450 ( 5.128 -0.000 16.950) 17.709 9.730 ( -12.977 0.000 2.397) 13.196 10.226 ( -12.358 0.000 -12.913) 17.874 10.276 ( -8.754 0.000 -4.975) 10.069 10.560 ( -13.327 0.000 1.628) 13.426 10.640 ( -21.821 0.000 2.280) 21.940 10.870 ( -5.238 0.000 6.721) 8.521 11.019 ( -5.780 0.000 0.697) 5.822 11.189 ( -2.714 0.000 1.298) 3.009 11.481 ( -4.387 0.000 -5.847) 7.310 11.529 ( -28.166 0.000 3.422) 28.373 11.658 ( 5.540 -0.000 0.799) 5.597 12.208 ( 2.216 -0.000 8.492) 8.776 12.464 ( 4.602 -0.000 9.630) 10.673 13.055 ( -12.048 0.000 -13.404) 18.023 13.165 ( 5.736 -0.000 5.248) 7.775 13.539 ( 7.590 -0.000 -15.411) 17.178 13.596 ( -7.406 0.000 4.622) 8.730 14.061 ( 17.408 -0.000 8.474) 19.361 14.122 ( 25.799 -0.000 -0.073) 25.799 16.322 ( 8.098 -0.000 -2.030) 8.348 16.583 ( 4.325 -0.000 -11.628) 12.406 17.553 ( 12.562 -0.000 9.510) 15.756 17.855 ( 6.780 -0.000 -0.755) 6.822 ======================= Grid point 353 (132/219) ======================= q-point: (-0.62 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( -6.014 -2.325 5.122) 8.235 3.422 ( 1.271 -1.377 0.964) 2.107 3.520 ( -2.728 2.582 -0.853) 3.852 3.665 ( -6.854 0.209 -3.719) 7.800 5.081 ( -17.993 3.127 1.862) 18.357 5.255 ( -15.184 2.626 -4.339) 16.008 5.332 ( -10.285 -2.722 -2.250) 10.875 5.406 ( -14.056 -0.880 -2.829) 14.364 6.148 ( -11.998 -3.087 -0.304) 12.393 6.180 ( -13.517 -1.171 -1.280) 13.628 7.217 ( -8.067 0.931 3.068) 8.681 7.359 ( -13.392 2.397 -1.089) 13.648 7.803 ( 3.427 3.722 3.601) 6.210 8.052 ( -11.294 -3.368 0.793) 11.812 8.200 ( -6.995 -3.193 0.701) 7.722 8.404 ( 2.970 -0.969 -8.915) 9.446 9.012 ( -6.868 -1.052 -2.214) 7.292 9.174 ( -5.156 -1.538 -4.619) 7.091 9.469 ( -11.445 2.068 3.110) 12.039 9.541 ( 3.427 -0.118 13.135) 13.575 9.830 ( -30.581 0.313 -5.209) 31.023 10.066 ( -34.260 3.776 0.488) 34.471 10.114 ( -8.413 0.110 -2.157) 8.686 10.191 ( -22.237 -7.894 -3.511) 23.857 10.753 ( -8.383 -0.311 3.014) 8.914 10.877 ( -8.917 0.703 -0.809) 8.982 11.110 ( -9.352 -0.490 7.803) 12.189 11.134 ( -4.533 -1.128 2.059) 5.105 11.431 ( -0.659 -1.927 -8.690) 8.926 11.812 ( 8.920 0.335 -6.976) 11.329 12.225 ( -0.049 0.774 8.199) 8.235 12.564 ( 5.192 -0.601 13.789) 14.746 12.793 ( -10.969 1.452 -3.264) 11.536 13.261 ( 6.359 1.066 5.874) 8.723 13.526 ( -0.437 0.809 3.286) 3.412 13.639 ( 1.653 -0.263 -10.268) 10.403 14.556 ( 30.072 0.450 2.229) 30.158 14.695 ( 31.554 0.537 -3.014) 31.702 16.476 ( 8.542 5.361 -3.305) 10.613 16.699 ( 5.634 -7.317 -11.803) 14.986 17.805 ( 13.662 3.600 9.254) 16.889 18.044 ( 10.464 -6.057 0.703) 12.111 ======================= Grid point 354 (133/219) ======================= q-point: (-0.56 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( -6.391 -3.270 2.183) 7.504 3.398 ( -6.048 3.408 -5.226) 8.690 3.447 ( -2.098 0.430 2.462) 3.263 3.553 ( -3.257 -2.447 1.178) 4.241 4.690 ( -19.444 4.903 1.252) 20.091 4.909 ( -17.076 7.034 -6.224) 19.489 5.066 ( -20.100 -0.469 -1.157) 20.139 5.150 ( -11.597 -8.031 -5.173) 15.025 5.796 ( -27.170 -2.823 -0.007) 27.317 5.803 ( -26.263 -6.699 -0.115) 27.104 6.963 ( -16.117 14.303 4.444) 22.002 7.097 ( -9.602 2.315 2.071) 10.092 7.706 ( -6.337 9.498 5.124) 12.515 7.942 ( -7.517 -8.598 1.871) 11.573 8.096 ( -8.525 -7.501 -1.078) 11.407 8.454 ( -0.501 -4.579 -6.293) 7.799 8.812 ( -18.121 6.552 -5.166) 19.950 8.941 ( -23.583 4.810 -5.024) 24.587 9.045 ( -32.176 -4.478 1.397) 32.516 9.256 ( -26.222 -6.592 -4.148) 27.354 9.400 ( -10.235 -5.198 6.222) 13.057 9.579 ( -2.986 -2.861 7.204) 8.306 9.967 ( -5.022 -1.681 -3.119) 6.146 9.999 ( -4.620 -4.570 -2.263) 6.881 10.516 ( -15.458 -0.629 2.206) 15.627 10.680 ( -9.403 0.414 -2.349) 9.701 11.032 ( -2.617 -1.236 3.602) 4.620 11.108 ( 1.671 -2.419 7.613) 8.161 11.467 ( 1.701 -4.225 -14.221) 14.933 11.968 ( 6.517 1.723 -14.519) 16.007 12.209 ( 0.185 2.723 9.490) 9.875 12.638 ( -3.360 1.525 1.847) 4.126 12.685 ( 5.656 -1.302 20.093) 20.914 13.410 ( 9.146 3.237 3.780) 10.412 13.538 ( 1.844 2.226 2.256) 3.667 13.630 ( -1.743 -0.727 -2.912) 3.471 15.121 ( 27.254 7.507 0.102) 28.269 15.342 ( 32.481 -3.786 -5.303) 33.128 16.591 ( 7.745 7.717 -4.240) 11.727 16.905 ( 9.268 -11.685 -16.281) 22.080 18.052 ( 14.581 5.130 12.794) 20.065 18.329 ( 12.793 -10.819 1.901) 16.862 ======================= Grid point 355 (134/219) ======================= q-point: (-0.50 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( -9.992 2.446 -2.939) 10.699 3.217 ( -8.445 5.563 -6.869) 12.225 3.392 ( -3.509 -1.901 5.409) 6.722 3.558 ( 0.155 -3.834 2.014) 4.334 4.252 ( -21.939 4.382 1.088) 22.399 4.481 ( -23.099 5.220 -6.928) 24.674 4.661 ( -18.331 3.618 1.347) 18.733 4.904 ( -25.914 -9.151 -5.565) 28.040 5.200 ( -36.701 -8.951 -0.634) 37.782 5.247 ( -24.609 -8.619 -3.232) 26.274 6.492 ( -19.709 20.226 7.376) 29.188 6.835 ( -18.457 5.822 -2.213) 19.480 7.387 ( -38.046 9.409 11.224) 40.767 7.619 ( -17.329 8.769 1.205) 19.458 7.657 ( -27.192 8.435 3.712) 28.711 8.340 ( -11.733 -3.715 -9.808) 15.737 8.432 ( -4.599 -15.201 -1.729) 15.975 8.643 ( -8.469 -11.027 2.732) 14.170 8.769 ( -4.810 -5.386 -6.656) 9.821 8.914 ( -17.558 -11.482 -3.505) 21.270 9.351 ( -2.583 -3.362 5.397) 6.863 9.509 ( -5.809 -7.143 3.424) 9.824 9.865 ( -4.919 -0.192 -1.795) 5.240 9.994 ( -7.974 -2.897 -7.066) 11.041 10.252 ( -4.105 -2.082 6.637) 8.077 10.554 ( -2.832 -1.619 -3.364) 4.686 10.983 ( -3.803 -5.305 -0.039) 6.527 11.196 ( 4.432 -0.965 11.321) 12.196 11.530 ( 1.014 -7.400 -19.350) 20.742 11.993 ( -0.303 10.273 -6.620) 12.225 12.257 ( 5.828 -0.005 1.204) 5.951 12.586 ( -1.866 -1.050 1.846) 2.827 12.817 ( 6.875 2.513 21.658) 22.862 13.456 ( -3.754 1.773 -2.221) 4.708 13.613 ( 7.919 4.288 4.673) 10.145 13.641 ( 3.535 1.154 5.087) 6.301 15.497 ( 16.831 11.984 2.347) 20.794 15.981 ( 27.348 -9.269 -7.658) 29.874 16.706 ( 8.090 6.763 -5.656) 11.966 17.190 ( 13.151 -7.657 -24.888) 29.172 18.338 ( 16.866 2.345 19.022) 25.531 18.659 ( 13.362 -11.622 4.037) 18.163 ======================= Grid point 356 (135/219) ======================= q-point: (-0.44 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -11.050 8.188 -7.568) 15.697 3.009 ( -7.824 9.374 -8.297) 14.762 3.268 ( -12.299 6.500 7.946) 16.020 3.545 ( -6.151 -1.577 -0.157) 6.352 3.827 ( -17.062 -3.278 -0.198) 17.375 3.954 ( -26.421 2.447 -5.945) 27.192 4.194 ( -36.448 -8.703 3.669) 37.651 4.333 ( -21.154 -0.092 -2.335) 21.283 4.552 ( -25.904 -4.255 5.332) 26.787 5.074 ( -7.021 -13.588 -12.811) 19.951 5.911 ( -34.970 5.666 4.689) 35.735 6.115 ( -47.080 3.894 -4.942) 47.499 6.491 ( -28.031 30.514 10.108) 42.650 7.076 ( -11.798 13.645 3.038) 18.292 7.544 ( -0.605 4.133 8.582) 9.545 8.158 ( -14.841 -0.522 -4.489) 15.514 8.302 ( -14.072 0.258 -5.488) 15.106 8.495 ( -13.974 -6.651 -1.665) 15.565 8.711 ( -0.693 -22.836 0.542) 22.853 8.955 ( 4.638 -21.203 -0.783) 21.719 9.266 ( -7.547 -2.418 4.163) 8.952 9.467 ( -3.945 -11.186 2.705) 12.166 9.678 ( -18.267 -1.985 -3.164) 18.645 9.831 ( 1.573 0.491 -5.631) 5.867 10.393 ( 10.233 -3.004 3.014) 11.083 10.588 ( 4.041 -4.129 -2.368) 6.244 10.954 ( -3.295 -8.141 -1.095) 8.850 11.246 ( -0.277 0.253 12.398) 12.403 11.596 ( 0.450 -9.893 -20.941) 23.164 11.904 ( 0.369 14.906 -1.704) 15.008 12.387 ( 6.220 -0.617 -3.686) 7.256 12.562 ( -1.886 -2.051 -1.276) 3.065 12.891 ( 3.252 7.793 19.681) 21.416 13.374 ( -2.738 -0.927 1.436) 3.228 13.675 ( 1.477 -0.705 5.826) 6.051 13.758 ( 8.291 9.081 5.025) 13.283 15.668 ( 8.156 10.093 5.667) 14.161 16.509 ( 19.440 -11.691 -10.167) 24.859 16.799 ( 4.351 5.383 -7.280) 10.045 17.481 ( 13.128 0.337 -31.849) 34.450 18.678 ( 17.241 -1.029 23.809) 29.414 18.979 ( 11.887 -10.830 7.609) 17.790 ======================= Grid point 357 (136/219) ======================= q-point: (-0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( -6.519 13.214 -10.962) 18.365 2.729 ( -23.675 16.546 1.320) 28.914 2.846 ( -6.491 13.311 -6.296) 16.092 3.148 ( -28.246 3.798 -7.038) 29.356 3.553 ( -12.126 0.694 0.967) 12.184 3.649 ( -8.802 -8.067 1.379) 12.019 3.767 ( -13.053 -8.383 3.289) 15.858 3.995 ( -9.515 -10.452 1.043) 14.173 4.317 ( -1.963 5.197 10.337) 11.735 4.952 ( -19.051 -6.844 -5.722) 21.036 5.083 ( -37.495 2.338 -0.896) 37.578 5.342 ( -21.595 -4.891 -9.598) 24.133 6.028 ( -4.674 26.902 10.186) 29.143 6.865 ( -2.934 15.128 -4.912) 16.174 7.528 ( 0.492 1.340 12.689) 12.769 7.779 ( -18.316 4.919 1.369) 19.015 7.910 ( -17.938 8.875 -3.196) 20.267 8.404 ( -2.302 -7.350 -8.616) 11.557 8.873 ( 1.554 -21.627 4.102) 22.068 9.094 ( -4.313 -4.460 3.502) 7.124 9.205 ( 1.058 -16.254 0.370) 16.293 9.378 ( -10.602 -7.258 -2.431) 13.076 9.511 ( -1.907 -14.424 3.888) 15.060 9.884 ( 2.857 0.278 -8.870) 9.323 10.611 ( 9.454 -3.273 2.054) 10.213 10.739 ( 7.135 -6.792 -1.396) 9.949 10.935 ( -3.656 -5.624 0.020) 6.708 11.187 ( -4.614 -0.622 10.668) 11.640 11.665 ( 0.419 -9.766 -16.763) 19.405 11.841 ( 1.046 12.507 -6.289) 14.039 12.489 ( 2.932 -0.604 -2.640) 3.992 12.529 ( -1.168 0.516 -1.304) 1.826 12.873 ( 0.638 7.920 14.842) 16.835 13.363 ( 0.194 -0.838 2.273) 2.430 13.695 ( 0.399 0.173 5.993) 6.008 13.828 ( 4.505 10.190 5.197) 12.294 15.726 ( 3.380 7.412 8.153) 11.525 16.800 ( 2.111 11.074 -13.461) 17.558 16.884 ( 8.396 -17.687 -6.880) 20.752 17.674 ( 7.682 5.380 -33.531) 34.818 18.984 ( 11.193 -3.513 24.820) 27.453 19.240 ( 7.685 -9.998 11.665) 17.178 ======================= Grid point 358 (137/219) ======================= q-point: (-0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 0.000 25.089 5.810) 25.753 2.349 ( 0.000 19.579 -15.420) 24.923 2.750 ( 0.000 6.492 -11.528) 13.230 2.779 ( 0.000 4.060 -7.462) 8.495 3.412 ( -0.000 -0.951 4.020) 4.131 3.626 ( -0.000 -9.960 -1.938) 10.147 3.645 ( 0.000 1.899 6.026) 6.318 3.998 ( -0.000 -4.143 9.305) 10.186 4.323 ( 0.000 4.924 11.207) 12.241 4.591 ( 0.000 2.297 1.152) 2.570 4.678 ( 0.000 2.195 -0.960) 2.396 5.259 ( -0.000 -9.232 -18.050) 20.274 5.889 ( 0.000 9.034 7.265) 11.593 6.746 ( 0.000 16.125 -13.137) 20.799 7.510 ( 0.000 10.654 1.399) 10.745 7.546 ( -0.000 -1.932 17.432) 17.538 7.643 ( 0.000 12.103 -1.841) 12.243 8.429 ( -0.000 -6.946 -8.879) 11.273 9.011 ( -0.000 -18.410 4.476) 18.946 9.047 ( -0.000 -1.607 2.402) 2.889 9.228 ( -0.000 -0.053 -2.001) 2.001 9.413 ( -0.000 -22.805 4.940) 23.334 9.593 ( -0.000 -17.507 2.054) 17.627 9.916 ( -0.000 -0.654 -10.876) 10.895 10.781 ( -0.000 -8.906 1.252) 8.994 10.845 ( 0.000 11.238 6.548) 13.007 10.885 ( -0.000 -7.977 -1.267) 8.077 11.158 ( -0.000 -12.510 5.423) 13.635 11.696 ( 0.000 6.681 -2.580) 7.162 11.811 ( -0.000 -5.780 -21.229) 22.002 12.490 ( 0.000 0.527 0.648) 0.835 12.541 ( 0.000 0.495 -0.590) 0.770 12.837 ( 0.000 6.270 9.566) 11.438 13.365 ( 0.000 1.893 -1.069) 2.174 13.693 ( 0.000 1.233 5.975) 6.101 13.811 ( 0.000 10.091 6.272) 11.881 15.719 ( 0.000 5.735 9.349) 10.968 16.745 ( 0.000 11.791 -11.717) 16.623 17.073 ( -0.000 -16.355 -9.125) 18.728 17.711 ( 0.000 7.358 -32.208) 33.038 19.128 ( -0.000 -5.847 25.267) 25.935 19.380 ( -0.000 -10.133 13.366) 16.773 ======================= Grid point 369 (138/219) ======================= q-point: (-0.62 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( -5.335 0.000 3.770) 6.533 3.408 ( -4.711 0.000 -4.370) 6.425 3.468 ( -3.383 0.000 1.111) 3.561 3.532 ( -4.024 0.000 0.043) 4.024 4.722 ( -19.669 0.000 0.698) 19.681 4.961 ( -17.250 0.000 -7.733) 18.904 5.077 ( -17.494 0.000 -1.173) 17.533 5.077 ( -14.155 0.000 -2.845) 14.438 5.762 ( -26.464 0.000 0.233) 26.465 5.779 ( -27.410 0.000 -0.253) 27.411 7.080 ( -7.340 0.000 4.657) 8.692 7.087 ( -15.411 0.000 3.101) 15.720 7.811 ( -9.264 0.000 3.137) 9.781 7.842 ( -3.449 0.000 2.846) 4.471 8.042 ( -6.656 0.000 -0.988) 6.729 8.426 ( -1.952 0.000 -7.105) 7.368 8.850 ( -13.225 0.000 -5.549) 14.342 8.970 ( -22.090 0.000 -5.527) 22.771 9.026 ( -41.091 0.000 1.254) 41.110 9.218 ( -29.721 0.000 -3.900) 29.975 9.364 ( -9.390 0.000 6.823) 11.607 9.559 ( -3.392 0.000 7.095) 7.864 9.948 ( -1.821 0.000 -4.245) 4.619 9.980 ( -6.150 0.000 -0.609) 6.180 10.513 ( -15.435 0.000 2.372) 15.616 10.682 ( -9.825 0.000 -2.332) 10.098 11.023 ( -3.940 0.000 2.497) 4.665 11.095 ( 2.887 -0.000 8.824) 9.284 11.441 ( 1.433 -0.000 -14.198) 14.270 11.978 ( 7.392 -0.000 -14.780) 16.525 12.227 ( 0.218 -0.000 8.533) 8.536 12.645 ( -4.932 0.000 2.500) 5.530 12.679 ( 7.101 -0.000 20.578) 21.769 13.430 ( 9.171 -0.000 3.265) 9.735 13.552 ( 2.431 -0.000 3.927) 4.618 13.625 ( -2.057 0.000 -3.703) 4.236 15.181 ( 31.509 -0.000 -1.199) 31.532 15.302 ( 27.961 -0.000 -3.963) 28.241 16.673 ( 8.676 -0.000 -6.397) 10.780 16.799 ( 8.957 -0.000 -13.258) 16.000 18.102 ( 14.887 -0.000 9.798) 17.823 18.246 ( 12.328 -0.000 3.466) 12.805 ======================= Grid point 371 (139/219) ======================= q-point: (-0.56 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( -5.533 1.867 -0.526) 5.864 3.235 ( -10.252 -1.248 -7.593) 12.818 3.395 ( -3.307 1.623 3.764) 5.267 3.521 ( 0.138 -1.938 1.677) 2.567 4.297 ( -22.694 2.316 0.915) 22.830 4.520 ( -25.605 1.388 -5.073) 26.140 4.717 ( -19.371 5.041 -2.442) 20.165 4.812 ( -17.986 -6.031 -6.116) 19.932 5.126 ( -37.085 -3.002 0.540) 37.210 5.165 ( -29.819 -4.190 -1.775) 30.164 6.679 ( -24.546 9.057 5.966) 26.836 6.876 ( -17.073 1.193 0.951) 17.141 7.462 ( -35.610 3.074 12.163) 37.755 7.687 ( -3.979 3.169 3.275) 6.050 7.835 ( -25.748 19.874 0.867) 32.538 8.113 ( -15.528 -24.860 0.828) 29.323 8.408 ( -11.666 4.789 -7.463) 14.653 8.505 ( -10.460 -10.767 -2.231) 15.176 8.738 ( -5.569 -0.728 -8.679) 10.338 8.841 ( -17.410 -2.102 -5.110) 18.265 9.319 ( -1.525 -1.543 6.031) 6.410 9.447 ( -6.711 -2.739 4.911) 8.755 9.864 ( -4.812 0.065 -1.886) 5.168 9.967 ( -5.656 -1.281 -7.149) 9.205 10.235 ( -5.566 -0.708 6.965) 8.944 10.542 ( -3.645 -0.492 -3.367) 4.986 10.937 ( -4.732 -2.022 -0.146) 5.148 11.192 ( 5.233 0.026 11.804) 12.912 11.468 ( 0.449 -2.703 -20.092) 20.278 12.087 ( 3.893 4.520 -13.814) 15.047 12.254 ( 3.466 -0.354 6.428) 7.312 12.571 ( -3.047 -0.934 3.222) 4.531 12.840 ( 8.761 1.014 23.886) 25.463 13.474 ( -5.105 0.942 -2.345) 5.696 13.612 ( 3.042 -0.821 4.743) 5.694 13.684 ( 9.354 2.422 4.918) 10.842 15.654 ( 17.668 13.805 -0.128) 22.422 15.833 ( 23.428 -13.953 -3.488) 27.491 16.803 ( 7.552 6.866 -9.530) 13.964 17.095 ( 17.358 -6.442 -21.923) 28.695 18.388 ( 16.150 4.943 14.615) 22.335 18.535 ( 13.954 -7.934 6.436) 17.294 ======================= Grid point 372 (140/219) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( -7.980 9.960 -5.284) 13.813 3.075 ( -7.092 -0.975 -10.028) 12.321 3.311 ( -5.343 2.721 6.076) 8.537 3.519 ( -3.528 -2.586 0.557) 4.410 3.822 ( -22.207 1.933 1.109) 22.319 3.982 ( -27.784 2.371 -3.862) 28.151 4.102 ( -37.415 -6.261 2.210) 37.999 4.298 ( -34.783 -5.463 -5.053) 35.570 4.567 ( -13.166 7.601 1.467) 15.273 4.900 ( -8.257 -15.007 -9.596) 19.634 5.964 ( -42.907 3.012 3.225) 43.134 6.153 ( -50.356 2.284 -6.303) 50.800 6.845 ( -15.947 23.567 17.688) 33.505 7.242 ( -13.685 16.185 9.857) 23.374 7.622 ( -0.058 7.776 3.406) 8.489 8.149 ( -7.430 -7.458 -3.952) 11.245 8.203 ( -9.219 -13.590 -0.078) 16.422 8.416 ( -11.834 -4.147 -2.694) 12.825 8.499 ( -10.379 -10.033 -3.142) 14.773 8.750 ( 2.152 -11.516 -9.690) 15.203 9.241 ( -7.505 -1.637 4.982) 9.155 9.363 ( -4.308 -5.916 6.024) 9.479 9.662 ( -18.437 -0.737 -3.642) 18.808 9.837 ( 2.062 0.377 -5.808) 6.175 10.357 ( 9.971 -2.436 3.082) 10.717 10.549 ( 3.138 -2.212 -2.503) 4.583 10.871 ( -3.915 -4.949 -1.228) 6.428 11.263 ( 1.888 1.713 12.730) 12.983 11.498 ( 0.112 -5.984 -23.575) 24.323 12.070 ( 0.540 11.700 -5.666) 13.011 12.366 ( 5.667 -2.855 -0.323) 6.354 12.538 ( -1.196 -1.682 0.868) 2.239 12.975 ( 5.851 5.672 23.283) 24.668 13.355 ( -5.432 -1.943 2.371) 6.237 13.667 ( 1.890 -0.600 5.287) 5.646 13.846 ( 8.419 5.188 4.071) 10.694 15.800 ( 6.724 11.227 3.556) 13.561 16.328 ( 16.919 -15.262 -3.654) 23.077 16.889 ( 5.008 6.752 -13.353) 15.779 17.474 ( 16.814 -1.063 -31.881) 36.059 18.691 ( 16.566 3.023 20.505) 26.534 18.858 ( 12.909 -9.094 10.134) 18.763 ======================= Grid point 373 (141/219) ======================= q-point: (-0.44 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -5.012 12.575 -8.339) 15.899 2.892 ( -14.141 10.100 -4.033) 17.839 3.029 ( -12.352 14.214 -3.270) 19.113 3.186 ( -25.662 2.125 -5.158) 26.261 3.521 ( -12.856 -7.301 2.086) 14.931 3.574 ( -9.034 -1.773 -0.359) 9.213 3.672 ( -11.360 -6.844 2.615) 13.518 3.831 ( -13.454 -16.006 -1.058) 20.936 4.381 ( -2.003 7.485 3.862) 8.657 4.848 ( -9.489 -10.993 -8.017) 16.588 5.108 ( -37.539 1.720 0.119) 37.579 5.270 ( -31.299 -5.611 -7.210) 32.605 6.450 ( -5.347 38.155 14.219) 41.068 7.022 ( -3.243 11.352 9.956) 15.444 7.583 ( 0.696 7.400 5.063) 8.994 7.840 ( -14.703 4.705 1.392) 15.500 8.005 ( -15.951 6.551 -3.481) 17.592 8.290 ( -1.846 -13.523 -5.997) 14.907 8.594 ( 1.557 -22.219 -0.384) 22.276 8.911 ( 3.205 -21.196 -4.575) 21.920 9.097 ( -6.830 -2.499 2.889) 7.826 9.327 ( -6.648 -4.381 0.216) 7.965 9.381 ( -6.830 -5.849 4.247) 9.945 9.894 ( 2.905 1.126 -8.329) 8.893 10.560 ( 7.707 -4.287 1.647) 8.972 10.667 ( 5.913 -4.935 -1.505) 7.847 10.841 ( -3.208 -7.523 -1.779) 8.370 11.238 ( -1.735 6.074 11.362) 13.000 11.545 ( 0.130 -8.627 -23.101) 24.660 12.004 ( 0.438 12.352 -4.143) 13.036 12.473 ( 2.931 -1.898 -1.032) 3.642 12.534 ( 0.340 0.297 -0.551) 0.713 12.979 ( 0.221 9.713 18.516) 20.910 13.325 ( -0.426 -5.362 7.674) 9.371 13.693 ( 0.613 -0.262 5.246) 5.289 13.938 ( 4.602 7.546 3.672) 9.571 15.827 ( 2.716 9.215 6.134) 11.398 16.663 ( 6.809 -17.008 -1.008) 18.348 16.923 ( 3.388 7.811 -19.107) 20.918 17.725 ( 8.922 3.200 -36.034) 37.259 18.963 ( 10.659 -0.062 22.122) 24.556 19.129 ( 8.572 -8.327 14.245) 18.595 ======================= Grid point 374 (142/219) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 0.000 11.798 -12.240) 17.000 2.538 ( 0.000 20.507 3.320) 20.774 2.820 ( 0.000 2.755 -3.623) 4.552 2.912 ( 0.000 15.883 -12.182) 20.017 3.395 ( -0.000 -2.331 1.650) 2.856 3.511 ( -0.000 -8.487 -1.276) 8.582 3.612 ( -0.000 -6.029 2.903) 6.691 3.856 ( -0.000 -16.760 1.419) 16.820 4.372 ( 0.000 4.060 8.335) 9.272 4.615 ( 0.000 1.661 1.109) 1.997 4.700 ( 0.000 1.486 -0.955) 1.766 5.117 ( -0.000 -15.162 -16.138) 22.143 6.175 ( 0.000 35.731 12.275) 37.781 6.924 ( 0.000 12.690 3.431) 13.146 7.559 ( 0.000 4.493 8.841) 9.917 7.629 ( 0.000 8.834 1.530) 8.965 7.777 ( 0.000 9.835 -2.090) 10.055 8.337 ( -0.000 -8.770 -9.120) 12.653 8.754 ( -0.000 -23.740 3.136) 23.946 9.028 ( -0.000 -1.516 2.670) 3.070 9.107 ( -0.000 -26.628 -2.196) 26.718 9.227 ( -0.000 -0.073 -2.200) 2.201 9.410 ( -0.000 -12.603 6.255) 14.069 9.918 ( 0.000 0.865 -9.133) 9.174 10.682 ( -0.000 -7.196 1.413) 7.333 10.798 ( -0.000 -6.298 -1.379) 6.447 10.832 ( -0.000 -9.043 -1.670) 9.196 11.159 ( 0.000 8.708 10.682) 13.782 11.604 ( -0.000 -10.425 -21.027) 23.470 11.933 ( 0.000 13.526 -4.936) 14.399 12.495 ( 0.000 0.283 0.641) 0.701 12.546 ( 0.000 0.266 -0.589) 0.646 12.922 ( 0.000 8.128 14.737) 16.830 13.354 ( -0.000 -3.533 6.422) 7.329 13.699 ( 0.000 0.006 5.446) 5.446 13.933 ( 0.000 9.362 3.896) 10.140 15.802 ( 0.000 8.041 7.797) 11.200 16.800 ( -0.000 -9.310 0.141) 9.311 16.938 ( 0.000 0.932 -21.379) 21.399 17.787 ( 0.000 5.195 -35.748) 36.124 19.079 ( -0.000 -2.328 22.505) 22.626 19.268 ( -0.000 -8.399 15.428) 17.566 ======================= Grid point 387 (143/219) ======================= q-point: (-0.56 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( -3.579 0.000 -4.536) 5.778 3.022 ( -9.461 0.000 -9.072) 13.108 3.336 ( -3.570 0.000 4.009) 5.368 3.498 ( -3.045 0.000 0.843) 3.160 3.841 ( -23.058 0.000 1.281) 23.094 4.004 ( -25.622 0.000 -2.725) 25.766 4.056 ( -39.997 0.000 1.537) 40.026 4.255 ( -38.974 0.000 -3.890) 39.168 4.674 ( -7.870 0.000 -4.760) 9.198 4.753 ( -11.404 0.000 -5.651) 12.727 5.982 ( -45.255 0.000 2.776) 45.341 6.167 ( -51.284 0.000 -6.722) 51.722 6.981 ( -11.275 0.000 23.898) 26.424 7.409 ( -16.001 0.000 8.438) 18.090 7.690 ( 0.308 -0.000 4.645) 4.655 7.948 ( 0.427 -0.000 -2.785) 2.818 8.194 ( -15.886 0.000 1.027) 15.919 8.370 ( 0.215 -0.000 -6.023) 6.027 8.457 ( -19.737 0.000 -3.427) 20.032 8.683 ( -0.652 0.000 -14.253) 14.268 9.230 ( -7.363 0.000 5.337) 9.094 9.327 ( -4.320 0.000 7.268) 8.454 9.658 ( -18.464 0.000 -3.747) 18.840 9.840 ( 2.376 -0.000 -5.971) 6.426 10.342 ( 9.809 -0.000 3.171) 10.309 10.536 ( 2.790 -0.000 -2.582) 3.802 10.841 ( -4.133 0.000 -1.154) 4.291 11.275 ( 2.857 -0.000 13.432) 13.733 11.460 ( -0.159 0.000 -24.934) 24.934 12.152 ( 0.238 -0.000 -11.572) 11.574 12.338 ( 5.489 -0.000 5.358) 7.670 12.527 ( -0.601 0.000 1.201) 1.343 13.012 ( 7.707 -0.000 25.258) 26.408 13.340 ( -7.380 0.000 2.071) 7.665 13.663 ( 2.084 -0.000 5.042) 5.456 13.878 ( 8.465 -0.000 3.864) 9.305 15.890 ( 4.512 -0.000 1.973) 4.924 16.212 ( 18.271 -0.000 -1.390) 18.324 16.932 ( 4.133 -0.000 -14.855) 15.419 17.466 ( 18.756 -0.000 -31.534) 36.691 18.732 ( 16.495 -0.000 19.284) 25.376 18.781 ( 13.047 -0.000 10.932) 17.021 ======================= Grid point 389 (144/219) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -3.282 14.846 -7.918) 17.143 2.929 ( -5.589 -5.400 -8.365) 11.418 3.156 ( -21.411 5.952 -1.126) 22.251 3.201 ( -18.646 0.846 -3.831) 19.054 3.453 ( -14.623 -2.207 2.347) 14.973 3.567 ( -10.884 0.343 1.377) 10.976 3.610 ( -9.215 -4.207 2.029) 10.331 3.659 ( -18.339 -9.166 0.130) 20.502 4.511 ( -1.978 13.546 -3.300) 14.081 4.689 ( -3.751 -14.766 -7.450) 16.959 5.123 ( -36.677 0.660 0.744) 36.690 5.225 ( -38.674 -1.773 -6.134) 39.197 6.803 ( -4.149 14.983 22.305) 27.188 7.178 ( -4.066 14.155 11.678) 18.796 7.679 ( 0.816 7.087 3.679) 8.027 7.883 ( -13.189 2.184 1.790) 13.488 8.031 ( -2.811 -14.693 -2.931) 15.244 8.074 ( -12.243 -4.720 -1.788) 13.243 8.429 ( 1.514 -5.017 -5.461) 7.568 8.711 ( 0.706 -9.869 -12.976) 16.318 9.079 ( -6.697 -0.708 3.563) 7.619 9.275 ( -2.227 -2.647 7.505) 8.264 9.354 ( -11.027 -0.569 -0.614) 11.058 9.905 ( 3.125 0.591 -8.665) 9.230 10.522 ( 7.000 -1.746 1.730) 7.419 10.626 ( 5.053 -1.787 -1.597) 5.593 10.778 ( -3.143 -2.679 -1.632) 4.440 11.299 ( 0.500 3.298 12.963) 13.385 11.467 ( -0.164 -3.843 -26.943) 27.216 12.113 ( -1.384 5.017 -7.066) 8.776 12.451 ( 4.361 -1.381 1.627) 4.855 12.536 ( 0.929 0.115 -0.510) 1.066 13.098 ( 1.864 9.109 22.037) 23.918 13.242 ( -2.653 -7.547 9.402) 12.345 13.690 ( 0.746 -0.119 4.647) 4.708 14.001 ( 4.635 2.711 3.259) 6.281 15.927 ( 1.827 5.722 3.788) 7.101 16.499 ( 7.856 -8.538 0.843) 11.633 16.988 ( 2.547 2.761 -19.980) 20.330 17.751 ( 9.726 1.032 -37.179) 38.444 18.981 ( 9.456 2.835 18.083) 20.602 19.044 ( 10.036 -5.678 18.402) 21.717 ======================= Grid point 390 (145/219) ======================= q-point: (-0.44 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 0.000 16.488 -10.764) 19.690 2.748 ( 0.000 13.799 1.272) 13.857 2.845 ( 0.000 1.357 -1.082) 1.735 3.045 ( 0.000 3.958 -15.145) 15.654 3.337 ( -0.000 -6.813 1.223) 6.922 3.448 ( -0.000 -2.055 -1.462) 2.522 3.524 ( -0.000 -7.688 3.984) 8.659 3.650 ( -0.000 -14.231 3.490) 14.653 4.463 ( 0.000 11.314 0.185) 11.315 4.630 ( 0.000 0.866 1.074) 1.379 4.714 ( 0.000 0.745 -0.943) 1.202 4.910 ( -0.000 -18.169 -14.206) 23.064 6.619 ( 0.000 31.629 17.863) 36.325 7.061 ( 0.000 12.304 13.331) 18.141 7.644 ( 0.000 8.427 3.549) 9.144 7.715 ( 0.000 5.086 1.599) 5.331 7.871 ( 0.000 5.569 -2.258) 6.009 8.180 ( -0.000 -19.865 -3.368) 20.149 8.499 ( -0.000 -13.975 -4.384) 14.646 8.816 ( -0.000 -19.833 -8.841) 21.714 9.012 ( -0.000 -0.967 2.885) 3.042 9.226 ( -0.000 -0.056 -2.363) 2.363 9.297 ( -0.000 -6.175 9.623) 11.434 9.932 ( 0.000 1.201 -9.283) 9.360 10.613 ( -0.000 -4.072 1.549) 4.357 10.734 ( -0.000 -5.978 -1.744) 6.227 10.738 ( -0.000 -3.495 -1.468) 3.791 11.264 ( 0.000 7.513 10.260) 12.717 11.499 ( -0.000 -6.825 -24.624) 25.552 12.063 ( 0.000 7.423 -5.836) 9.442 12.497 ( 0.000 0.113 0.638) 0.647 12.548 ( 0.000 0.106 -0.589) 0.598 13.035 ( 0.000 10.489 17.507) 20.409 13.283 ( -0.000 -8.081 13.337) 15.594 13.698 ( -0.000 -0.111 4.561) 4.562 14.023 ( 0.000 5.307 3.153) 6.173 15.903 ( 0.000 7.956 5.238) 9.526 16.635 ( -0.000 -12.928 1.779) 13.050 16.995 ( 0.000 4.457 -22.357) 22.797 17.834 ( 0.000 2.637 -37.985) 38.076 19.069 ( 0.000 0.382 19.264) 19.268 19.182 ( -0.000 -5.790 18.855) 19.724 ======================= Grid point 406 (146/219) ======================= q-point: ( 0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 187 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 0.000 0.000 -12.593) 12.593 2.840 ( 0.000 0.000 0.123) 0.123 2.853 ( 0.000 0.000 -0.205) 0.205 3.021 ( 0.000 0.000 -15.582) 15.582 3.284 ( 0.000 0.000 1.874) 1.874 3.438 ( 0.000 0.000 -1.870) 1.870 3.469 ( 0.000 0.000 7.251) 7.251 3.565 ( 0.000 0.000 4.078) 4.078 4.587 ( -0.000 -0.000 -3.780) 3.780 4.636 ( 0.000 0.000 1.061) 1.061 4.718 ( 0.000 0.000 -0.937) 0.937 4.745 ( 0.000 0.000 -13.153) 13.153 6.808 ( -0.000 -0.000 24.830) 24.830 7.191 ( 0.000 0.000 11.196) 11.196 7.718 ( -0.000 -0.000 5.411) 5.411 7.746 ( 0.000 0.000 1.618) 1.618 7.905 ( 0.000 0.000 -2.317) 2.317 7.976 ( 0.000 0.000 -2.721) 2.721 8.435 ( 0.000 0.000 -5.312) 5.312 8.682 ( 0.000 0.000 -14.877) 14.877 9.006 ( 0.000 0.000 2.969) 2.969 9.226 ( 0.000 0.000 -2.427) 2.427 9.260 ( 0.000 0.000 10.908) 10.908 9.940 ( 0.000 0.000 -9.607) 9.607 10.588 ( 0.000 0.000 1.604) 1.604 10.697 ( 0.000 0.000 -1.604) 1.604 10.717 ( 0.000 0.000 -1.503) 1.503 11.317 ( 0.000 0.000 14.195) 14.195 11.451 ( 0.000 0.000 -29.781) 29.781 12.107 ( 0.000 0.000 -6.622) 6.622 12.498 ( 0.000 0.000 0.636) 0.636 12.549 ( 0.000 0.000 -0.589) 0.589 13.157 ( -0.000 -0.000 8.261) 8.261 13.176 ( 0.000 0.000 26.108) 26.108 13.697 ( 0.000 0.000 4.191) 4.191 14.056 ( 0.000 0.000 3.021) 3.021 15.960 ( 0.000 0.000 3.606) 3.606 16.547 ( 0.000 0.000 2.762) 2.762 17.023 ( 0.000 0.000 -22.502) 22.502 17.850 ( 0.000 0.000 -38.745) 38.745 19.077 ( 0.000 0.000 15.671) 15.671 19.141 ( 0.000 0.000 22.614) 22.614 ======================= Grid point 530 (147/219) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 0.000 0.000 34.787) 34.787 1.689 ( 0.000 0.000 41.733) 41.733 2.028 ( 0.000 0.000 -30.546) 30.546 2.403 ( 0.000 0.000 -23.861) 23.861 2.758 ( 0.000 0.000 53.571) 53.571 3.716 ( 0.000 0.000 11.603) 11.603 3.869 ( 0.000 0.000 -51.408) 51.408 3.903 ( 0.000 0.000 -8.155) 8.155 4.495 ( 0.000 0.000 1.271) 1.271 4.516 ( 0.000 0.000 -0.956) 0.956 4.680 ( 0.000 0.000 17.266) 17.266 5.016 ( 0.000 0.000 -20.217) 20.217 6.352 ( 0.000 0.000 3.711) 3.711 6.440 ( 0.000 0.000 -5.635) 5.635 7.101 ( 0.000 0.000 1.136) 1.136 7.124 ( 0.000 0.000 -1.201) 1.201 8.498 ( 0.000 0.000 29.466) 29.466 8.917 ( 0.000 0.000 -12.664) 12.664 9.142 ( 0.000 0.000 2.526) 2.526 9.190 ( 0.000 0.000 -2.405) 2.405 9.209 ( 0.000 0.000 4.340) 4.340 9.259 ( 0.000 0.000 -3.480) 3.480 9.532 ( 0.000 0.000 -1.347) 1.347 9.607 ( 0.000 0.000 -8.467) 8.467 10.426 ( 0.000 0.000 4.508) 4.508 10.503 ( 0.000 0.000 -3.388) 3.388 11.185 ( 0.000 0.000 1.427) 1.427 11.214 ( 0.000 0.000 -1.496) 1.496 12.349 ( 0.000 0.000 7.574) 7.574 12.464 ( 0.000 0.000 1.073) 1.073 12.485 ( 0.000 0.000 -1.019) 1.019 12.546 ( 0.000 0.000 -13.043) 13.043 12.632 ( 0.000 0.000 9.146) 9.146 12.811 ( 0.000 0.000 -9.292) 9.292 13.694 ( 0.000 0.000 4.495) 4.495 13.714 ( 0.000 0.000 3.425) 3.425 15.749 ( 0.000 0.000 10.059) 10.059 15.974 ( 0.000 0.000 -12.510) 12.510 17.184 ( 0.000 0.000 13.508) 13.508 17.468 ( 0.000 0.000 -15.834) 15.834 20.146 ( 0.000 0.000 17.204) 17.204 20.449 ( 0.000 0.000 -14.020) 14.020 ======================= Grid point 531 (148/219) ======================= q-point: ( 0.06 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 16.850 7.347 36.506) 40.873 1.908 ( 29.439 -11.044 30.588) 43.866 2.406 ( 27.571 1.485 -28.220) 39.481 2.536 ( 15.447 -3.129 -31.943) 35.620 3.018 ( 25.203 -10.414 51.313) 58.109 3.848 ( 9.190 -1.507 -10.975) 14.394 4.080 ( 24.739 4.720 -15.882) 29.775 4.161 ( 24.245 -2.214 -12.383) 27.314 4.537 ( -0.285 1.624 14.403) 14.497 4.708 ( 14.875 -2.733 -3.721) 15.575 4.809 ( 23.571 -1.431 4.980) 24.133 5.051 ( 8.591 0.675 -21.460) 23.126 6.239 ( -3.332 3.299 10.448) 11.452 6.409 ( -1.147 2.784 -7.989) 8.537 7.666 ( 41.874 1.015 8.809) 42.803 7.951 ( 54.205 8.056 -23.212) 59.514 8.509 ( 6.284 7.223 26.493) 28.170 8.915 ( 4.072 12.870 -15.205) 20.332 9.104 ( -0.345 0.606 6.766) 6.802 9.184 ( 1.049 -4.091 -1.201) 4.391 9.315 ( 9.354 2.520 1.736) 9.842 9.378 ( 7.780 -0.332 -4.745) 9.119 9.603 ( 2.024 -17.869 -0.264) 17.985 9.712 ( 3.894 -24.860 -10.370) 27.216 10.415 ( -0.061 2.462 3.903) 4.615 10.480 ( -1.199 3.198 -2.619) 4.304 11.187 ( 0.548 1.370 2.239) 2.681 11.242 ( 2.442 1.037 -3.406) 4.317 12.295 ( -3.577 3.174 5.341) 7.169 12.354 ( -6.569 -0.167 -0.502) 6.590 12.432 ( -4.265 2.721 1.094) 5.176 12.530 ( -1.836 8.117 -7.553) 11.238 12.652 ( 0.634 -4.517 4.545) 6.439 12.806 ( -1.105 -0.151 -8.987) 9.056 13.696 ( -0.122 -0.693 4.961) 5.010 13.724 ( 0.298 -0.945 3.075) 3.231 15.685 ( -6.921 -1.289 9.340) 11.696 15.895 ( -8.662 -2.619 -11.803) 14.872 17.162 ( -2.503 -0.151 10.218) 10.522 17.413 ( -5.087 1.546 -14.920) 15.839 19.984 ( -13.785 3.820 11.519) 18.366 20.113 ( -25.817 6.401 0.405) 26.602 ======================= Grid point 532 (149/219) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 23.774 6.452 28.146) 37.404 2.484 ( 18.980 -15.421 19.619) 31.352 2.791 ( 22.149 6.013 -21.578) 31.501 3.077 ( 23.540 -13.412 -25.780) 37.398 3.740 ( 33.035 -5.774 24.237) 41.377 4.067 ( 10.972 -0.171 -7.286) 13.172 4.425 ( 12.691 4.542 19.659) 23.836 4.797 ( 28.707 9.290 -10.727) 32.023 4.939 ( 46.686 3.679 -5.568) 47.161 5.007 ( 24.065 -4.874 -15.093) 28.822 5.494 ( 39.932 -10.411 0.643) 41.272 5.553 ( 37.520 -7.699 -7.379) 39.006 6.192 ( 0.996 4.960 10.789) 11.916 6.374 ( 0.188 5.141 -8.627) 10.044 8.146 ( 4.421 3.145 20.211) 20.927 8.443 ( 9.610 13.293 -9.379) 18.895 8.853 ( 21.085 5.387 -0.819) 21.777 8.960 ( 8.983 17.279 -6.441) 20.512 9.179 ( 10.735 6.905 6.836) 14.480 9.312 ( 9.471 -4.367 -3.447) 10.984 9.507 ( 10.288 -0.683 1.216) 10.382 9.561 ( 12.037 1.568 -2.851) 12.469 9.812 ( 7.561 -18.668 5.117) 20.781 10.029 ( 9.249 -22.262 -15.388) 28.599 10.415 ( 2.860 4.209 1.992) 5.465 10.432 ( -0.300 4.210 0.659) 4.271 11.192 ( 0.931 1.505 2.349) 2.941 11.255 ( -1.357 -0.992 -3.236) 3.647 12.221 ( -1.659 4.770 5.693) 7.610 12.276 ( -4.423 6.495 1.628) 8.025 12.322 ( 1.878 2.016 -5.369) 6.034 12.386 ( -6.205 11.680 -6.759) 14.853 12.684 ( -1.172 -6.097 1.620) 6.416 12.777 ( -2.824 -6.516 -6.170) 9.408 13.686 ( -1.601 -0.317 5.833) 6.056 13.720 ( -1.595 -1.724 2.986) 3.799 15.496 ( -13.277 -2.912 7.894) 15.718 15.670 ( -16.504 -5.498 -9.885) 20.008 17.082 ( -5.496 0.349 3.665) 6.615 17.255 ( -9.239 3.072 -12.320) 15.703 19.559 ( -23.596 6.639 12.310) 27.430 19.640 ( -17.446 4.802 1.965) 18.201 ======================= Grid point 533 (150/219) ======================= q-point: ( 0.19 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 21.695 1.940 17.264) 27.793 2.865 ( 14.173 -5.077 -2.499) 15.261 3.249 ( 23.036 -3.727 1.829) 23.407 3.558 ( 16.827 -13.346 -20.975) 30.021 4.115 ( 8.780 3.297 7.753) 12.169 4.235 ( 7.430 2.151 -4.248) 8.825 4.841 ( 27.121 -0.110 17.223) 32.128 5.165 ( 19.036 2.691 -16.546) 25.365 5.766 ( 42.363 8.870 4.447) 43.509 5.877 ( 46.746 10.975 -4.428) 48.221 6.184 ( 11.979 3.833 3.947) 13.182 6.301 ( 8.441 1.882 -8.279) 11.972 6.521 ( 38.946 -14.834 1.202) 41.693 6.557 ( 48.043 -16.656 -2.813) 50.926 8.107 ( -2.112 4.982 19.668) 20.399 8.416 ( -1.974 9.355 -12.309) 15.586 8.998 ( 1.256 4.758 2.646) 5.587 9.029 ( 1.961 -0.204 -2.378) 3.089 9.371 ( 11.174 7.710 5.794) 14.760 9.516 ( 7.650 0.182 -7.372) 10.626 9.721 ( 9.230 -0.695 2.818) 9.676 9.801 ( 12.721 3.473 -4.743) 14.013 10.034 ( 5.079 -2.558 5.141) 7.667 10.174 ( 1.414 2.777 -7.000) 7.663 10.500 ( 9.510 -0.040 3.141) 10.016 10.543 ( 11.923 1.567 -1.419) 12.109 11.171 ( -1.871 -0.930 5.751) 6.119 11.290 ( 3.897 -4.199 -6.543) 8.697 12.019 ( -10.122 11.724 5.569) 16.460 12.149 ( -8.585 13.789 -6.121) 17.358 12.293 ( 5.648 1.960 6.017) 8.482 12.447 ( 8.238 1.222 -9.192) 12.404 12.671 ( -2.824 -5.750 5.530) 8.462 12.809 ( 0.310 -11.830 -8.044) 14.309 13.622 ( -4.765 0.995 7.201) 8.692 13.684 ( -3.181 -1.871 1.189) 3.877 15.206 ( -17.866 -3.914 5.636) 19.139 15.316 ( -22.855 -7.160 -6.216) 24.744 16.944 ( -7.982 0.714 -2.122) 8.290 17.024 ( -11.594 3.904 -8.493) 14.893 19.106 ( -18.744 6.537 14.514) 24.591 19.277 ( -16.014 6.062 -4.195) 17.629 ======================= Grid point 534 (151/219) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 14.947 -1.890 9.132) 17.617 3.125 ( 10.278 -1.919 -6.919) 12.537 3.639 ( 12.103 -2.050 6.915) 14.089 3.822 ( 4.258 -1.501 -8.733) 9.831 4.345 ( 17.856 -2.727 -0.400) 18.068 4.410 ( 13.354 -1.149 -6.795) 15.028 5.314 ( 21.174 7.120 9.411) 24.240 5.501 ( 15.992 7.009 -10.694) 20.475 6.159 ( 7.649 -2.375 9.320) 12.288 6.338 ( 2.774 1.178 -8.082) 8.626 6.644 ( 39.309 11.007 3.393) 40.962 6.714 ( 36.719 8.572 -3.404) 37.860 7.467 ( 36.608 -14.985 9.920) 40.781 7.627 ( 43.636 -17.688 -7.271) 47.643 8.085 ( 5.241 2.170 11.603) 12.916 8.325 ( -1.204 6.155 -12.015) 13.553 8.933 ( -6.631 3.166 4.267) 8.497 8.983 ( -6.250 1.896 -1.441) 6.688 9.519 ( 5.410 -1.445 3.360) 6.530 9.560 ( -1.555 -2.937 -0.118) 3.326 9.914 ( 14.409 4.402 4.236) 15.651 10.016 ( 11.996 7.779 -1.756) 14.405 10.125 ( 7.500 6.859 -4.572) 11.144 10.198 ( 5.316 1.444 -7.780) 9.533 10.741 ( 14.400 4.123 4.371) 15.603 10.788 ( 13.330 5.425 -0.490) 14.400 11.188 ( 2.721 -1.721 8.896) 9.460 11.396 ( 2.732 -4.191 -12.495) 13.459 11.751 ( -9.197 10.168 6.565) 15.201 11.897 ( -8.439 9.740 -7.662) 14.993 12.401 ( 5.154 3.193 9.276) 11.081 12.538 ( 1.139 2.611 -3.385) 4.424 12.721 ( 4.886 -8.140 7.513) 12.106 12.906 ( 1.599 -10.797 -8.072) 13.575 13.497 ( -6.339 2.490 6.123) 9.159 13.608 ( -5.588 -0.782 -3.579) 6.681 14.848 ( -21.776 -4.717 2.724) 22.447 14.884 ( -22.889 -6.208 -0.795) 23.730 16.752 ( -11.353 3.392 -3.369) 12.319 16.783 ( -9.751 0.753 -7.022) 12.040 18.716 ( -17.039 7.482 14.804) 23.780 18.928 ( -15.593 7.390 -7.707) 18.899 ======================= Grid point 535 (152/219) ======================= q-point: ( 0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( 8.340 -2.767 4.908) 10.065 3.296 ( 6.076 -1.485 -5.599) 8.395 3.739 ( 0.466 2.263 5.175) 5.667 3.834 ( -0.493 3.621 -4.061) 5.463 4.759 ( 21.016 -3.402 -1.584) 21.349 4.820 ( 23.169 -5.503 -7.478) 24.960 5.575 ( 11.669 11.701 4.998) 17.265 5.671 ( 7.362 10.937 -5.030) 14.111 6.339 ( 7.880 -4.992 3.686) 10.030 6.416 ( 4.530 -2.285 -3.686) 6.272 7.262 ( 26.914 5.248 3.000) 27.585 7.297 ( 26.071 6.148 -0.818) 26.799 7.852 ( 4.144 1.234 17.338) 17.869 8.156 ( 0.030 -0.630 -13.672) 13.687 8.396 ( 17.315 -4.636 4.977) 18.603 8.521 ( 17.301 -1.132 -7.218) 18.781 8.731 ( -6.226 -4.719 3.086) 8.400 8.795 ( -9.183 -3.312 -3.241) 10.286 9.599 ( 8.245 -5.113 9.032) 13.255 9.730 ( 11.741 -5.104 -4.383) 13.532 10.064 ( 3.415 11.952 2.109) 12.608 10.162 ( 4.304 9.524 -8.265) 13.325 10.320 ( 22.139 0.950 6.895) 23.207 10.491 ( 20.361 1.320 -10.461) 22.929 10.967 ( 8.450 5.480 4.141) 10.890 10.977 ( 12.195 7.444 3.013) 14.601 11.245 ( 0.745 0.880 5.164) 5.291 11.388 ( -5.326 -1.831 -8.296) 10.027 11.615 ( 1.916 5.850 5.527) 8.273 11.772 ( 1.782 5.704 -9.514) 11.235 12.440 ( 1.187 3.468 8.369) 9.136 12.525 ( -0.240 0.522 1.582) 1.683 12.851 ( -0.693 -6.508 9.189) 11.281 12.979 ( 1.341 -8.587 -3.342) 9.312 13.377 ( -3.420 2.688 -1.195) 4.511 13.470 ( -7.650 0.713 -9.165) 11.959 14.430 ( -20.793 -5.529 7.868) 22.909 14.533 ( -16.422 -2.909 -2.143) 16.815 16.503 ( -11.130 3.273 0.997) 11.644 16.603 ( -8.697 -0.306 -10.198) 13.407 18.335 ( -16.932 7.661 14.893) 23.816 18.566 ( -16.370 8.001 -9.429) 20.516 ======================= Grid point 536 (153/219) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.321 ( 3.827 -1.923 2.719) 5.073 3.387 ( 2.743 -0.246 -4.066) 4.911 3.713 ( -0.920 1.502 4.546) 4.875 3.790 ( -1.314 3.543 -3.324) 5.033 5.181 ( 18.581 -2.910 1.097) 18.840 5.284 ( 19.409 -3.896 -9.203) 21.831 5.678 ( 6.576 9.905 1.783) 12.022 5.716 ( 4.664 9.014 -1.967) 10.338 6.485 ( 4.253 -2.557 1.321) 5.135 6.516 ( 3.410 -1.734 -1.588) 4.142 7.587 ( 8.621 3.927 4.243) 10.380 7.642 ( 9.299 3.797 -1.107) 10.105 7.855 ( -0.487 3.558 11.440) 11.990 8.067 ( -5.308 1.155 -9.491) 10.936 8.478 ( 1.473 2.713 1.318) 3.356 8.496 ( -3.742 -1.224 -0.834) 4.025 8.873 ( 5.444 -12.779 4.548) 14.616 8.964 ( 9.413 -7.777 -4.673) 13.074 9.864 ( 11.597 -2.359 5.068) 12.874 9.952 ( 1.966 3.402 -3.336) 5.154 10.087 ( 12.283 6.037 2.028) 13.836 10.199 ( 7.032 8.616 -9.228) 14.451 10.707 ( 12.701 1.364 5.630) 13.960 10.813 ( 10.121 0.762 -4.421) 11.070 11.072 ( 3.566 5.476 3.596) 7.459 11.102 ( 4.940 7.660 -0.628) 9.136 11.265 ( 4.570 -4.852 5.242) 8.480 11.374 ( 6.723 -3.401 -3.315) 8.231 11.685 ( 6.564 4.565 4.365) 9.109 11.840 ( 6.627 8.434 -9.801) 14.530 12.414 ( -2.291 1.926 9.940) 10.381 12.542 ( 1.479 -1.708 -0.983) 2.463 12.759 ( -8.195 -4.649 12.211) 15.424 12.985 ( -9.965 -6.222 -12.028) 16.814 13.324 ( 2.260 0.100 1.400) 2.661 13.425 ( 3.975 0.982 -8.723) 9.636 14.140 ( -11.175 -2.963 10.336) 15.508 14.274 ( -10.800 -0.911 -3.426) 11.367 16.286 ( -8.873 2.408 4.482) 10.228 16.445 ( -7.378 -0.027 -12.508) 14.522 17.968 ( -15.544 6.087 14.510) 22.117 18.197 ( -15.836 7.007 -9.656) 19.827 ======================= Grid point 537 (154/219) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( 1.407 -1.325 0.980) 2.167 3.414 ( 0.602 1.421 -2.654) 3.070 3.703 ( 0.043 -1.104 3.351) 3.528 3.750 ( -0.872 2.704 -1.368) 3.153 5.479 ( 9.302 -1.225 0.987) 9.434 5.567 ( 7.084 -0.616 -7.217) 10.131 5.756 ( 6.090 4.479 1.187) 7.652 5.788 ( 6.576 3.989 -2.069) 7.965 6.536 ( -0.246 -0.135 0.479) 0.555 6.562 ( 1.865 0.502 -2.672) 3.297 7.570 ( -5.737 1.452 3.640) 6.947 7.613 ( -4.781 1.217 -0.176) 4.937 7.881 ( 3.312 1.888 6.260) 7.329 8.032 ( 1.282 1.395 -8.807) 9.008 8.501 ( 1.266 -3.782 5.482) 6.779 8.559 ( 4.649 -1.175 -0.623) 4.835 8.993 ( 1.460 -5.229 7.812) 9.514 9.126 ( 4.265 -2.295 -5.928) 7.655 9.882 ( -1.934 4.336 4.120) 6.286 9.994 ( 0.898 -2.375 -7.203) 7.637 10.311 ( 11.681 8.190 2.163) 14.429 10.394 ( 12.925 2.888 -5.829) 14.470 10.784 ( -0.319 0.356 3.957) 3.986 10.876 ( -3.088 -1.957 -5.230) 6.381 11.074 ( 1.103 3.338 2.596) 4.370 11.114 ( 1.581 5.156 -1.497) 5.597 11.455 ( 6.931 -5.036 13.096) 15.650 11.584 ( 8.883 1.529 5.140) 10.376 11.802 ( 5.495 -2.238 -6.155) 8.549 11.882 ( 3.767 9.975 -10.155) 14.725 12.336 ( -4.521 -1.608 14.191) 14.980 12.579 ( 0.328 -2.842 -5.392) 6.104 12.681 ( -0.730 -0.333 4.432) 4.504 12.762 ( -11.889 -3.755 -8.583) 15.137 13.431 ( 5.624 -0.522 4.299) 7.098 13.552 ( 7.152 -1.594 -7.588) 10.548 14.000 ( -4.738 -0.372 8.931) 10.117 14.121 ( -4.869 0.485 -3.461) 5.993 16.135 ( -4.958 1.427 6.238) 8.095 16.321 ( -4.742 0.475 -13.433) 14.254 17.680 ( -9.977 3.121 13.451) 17.035 17.891 ( -10.753 4.215 -8.850) 14.550 ======================= Grid point 538 (155/219) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.403 ( 0.000 -0.000 -0.671) 0.671 3.406 ( -0.000 0.000 -1.003) 1.003 3.718 ( 0.000 -0.000 1.416) 1.416 3.724 ( -0.000 0.000 0.818) 0.818 5.566 ( 0.000 -0.000 -0.068) 0.068 5.626 ( 0.000 -0.000 -5.160) 5.160 5.824 ( 0.000 -0.000 0.955) 0.955 5.851 ( 0.000 -0.000 -1.461) 1.461 6.522 ( 0.000 -0.000 1.362) 1.362 6.582 ( 0.000 -0.000 -5.851) 5.851 7.493 ( 0.000 -0.000 4.421) 4.421 7.554 ( 0.000 -0.000 -1.595) 1.595 7.913 ( 0.000 -0.000 5.379) 5.379 8.043 ( 0.000 -0.000 -8.065) 8.065 8.532 ( 0.000 -0.000 7.804) 7.804 8.615 ( 0.000 -0.000 -1.089) 1.089 9.018 ( 0.000 -0.000 8.894) 8.894 9.172 ( 0.000 -0.000 -7.041) 7.041 9.850 ( 0.000 -0.000 5.802) 5.802 10.006 ( 0.000 -0.000 -10.686) 10.686 10.410 ( 0.000 0.000 5.917) 5.917 10.539 ( 0.000 -0.000 -7.124) 7.124 10.781 ( 0.000 0.000 0.434) 0.434 10.813 ( -0.000 -0.000 -3.169) 3.169 11.077 ( 0.000 -0.000 2.096) 2.096 11.113 ( 0.000 -0.000 -1.704) 1.704 11.534 ( 0.000 -0.000 18.131) 18.131 11.659 ( 0.000 0.000 8.881) 8.881 11.862 ( 0.000 0.000 -8.313) 8.313 11.905 ( 0.000 -0.000 -16.466) 16.466 12.292 ( 0.000 -0.000 15.616) 15.616 12.615 ( 0.000 0.000 -16.150) 16.150 12.621 ( -0.000 -0.000 6.451) 6.451 12.686 ( 0.000 -0.000 -1.172) 1.172 13.496 ( 0.000 -0.000 6.155) 6.155 13.645 ( 0.000 -0.000 -8.755) 8.755 13.951 ( 0.000 -0.000 9.082) 9.082 14.073 ( 0.000 -0.000 -3.609) 3.609 16.081 ( 0.000 -0.000 6.507) 6.507 16.269 ( 0.000 -0.000 -13.342) 13.342 17.567 ( 0.000 -0.000 12.650) 12.650 17.765 ( 0.000 -0.000 -8.209) 8.209 ======================= Grid point 548 (156/219) ======================= q-point: ( 0.06 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 25.686 -0.000 28.470) 38.344 2.333 ( 18.357 -0.000 28.330) 33.757 2.877 ( 22.015 -0.000 -27.630) 35.328 2.951 ( 21.701 -0.000 -26.552) 34.292 3.703 ( 37.009 -0.000 25.957) 45.204 4.064 ( 12.142 -0.000 -8.354) 14.738 4.460 ( 8.756 -0.000 18.142) 20.145 4.872 ( 23.543 -0.000 -24.172) 33.743 4.944 ( 43.405 -0.000 -1.960) 43.449 4.978 ( 40.728 -0.000 -5.678) 41.122 5.424 ( 37.040 -0.000 2.027) 37.096 5.507 ( 34.024 -0.000 -8.667) 35.110 6.223 ( 0.532 -0.000 11.182) 11.195 6.406 ( -0.080 0.000 -8.274) 8.274 8.165 ( 5.201 -0.000 21.640) 22.256 8.543 ( 5.608 -0.000 -18.303) 19.142 8.853 ( 16.083 -0.000 12.903) 20.619 9.095 ( 0.692 -0.000 -8.968) 8.995 9.236 ( 17.929 -0.000 8.103) 19.675 9.314 ( 13.830 -0.000 -5.215) 14.780 9.501 ( 7.678 -0.000 2.482) 8.070 9.603 ( 11.792 -0.000 -8.023) 14.263 9.647 ( 12.108 -0.000 4.082) 12.778 9.845 ( 19.024 -0.000 -15.333) 24.434 10.442 ( 2.648 -0.000 2.070) 3.360 10.461 ( -1.267 0.000 0.438) 1.341 11.203 ( 1.039 -0.000 1.270) 1.641 11.249 ( -2.773 0.000 -2.454) 3.703 12.239 ( -1.737 0.000 3.413) 3.829 12.304 ( 1.839 -0.000 -4.843) 5.181 12.345 ( -5.804 0.000 5.289) 7.852 12.505 ( -4.017 0.000 -11.356) 12.046 12.608 ( -1.643 0.000 6.163) 6.378 12.742 ( -4.517 0.000 -7.188) 8.489 13.685 ( -0.932 0.000 4.957) 5.044 13.708 ( -1.905 0.000 3.519) 4.002 15.478 ( -13.320 0.000 7.114) 15.100 15.636 ( -16.507 0.000 -9.055) 18.828 17.084 ( -5.393 0.000 4.722) 7.168 17.274 ( -9.286 0.000 -13.031) 16.001 19.600 ( -24.969 0.000 11.769) 27.603 19.669 ( -17.622 0.000 2.509) 17.800 ======================= Grid point 549 (157/219) ======================= q-point: ( 0.12 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 18.373 5.970 19.216) 27.248 2.773 ( 19.485 -8.301 12.494) 24.590 3.275 ( 21.040 6.928 -14.880) 26.685 3.402 ( 20.375 -11.918 -20.575) 31.313 4.141 ( 9.358 1.089 7.367) 11.959 4.252 ( 6.962 0.692 -3.468) 7.809 4.840 ( 28.473 -0.013 18.412) 33.908 5.186 ( 19.142 0.884 -17.677) 26.071 5.862 ( 38.681 5.620 5.464) 39.467 6.012 ( 48.007 10.498 -7.109) 49.653 6.203 ( 31.056 -3.191 0.820) 31.230 6.262 ( 29.803 -4.610 -7.153) 30.994 6.370 ( 29.743 -8.340 4.468) 31.212 6.456 ( 17.601 -1.348 -2.501) 17.829 8.149 ( -2.739 1.871 21.600) 21.853 8.507 ( -4.068 4.767 -15.714) 16.917 8.978 ( 0.865 -3.066 6.698) 7.417 9.063 ( -1.719 2.504 -1.666) 3.464 9.466 ( 6.207 6.058 -0.146) 8.675 9.512 ( 6.209 -0.875 -3.950) 7.410 9.708 ( 10.307 -0.945 5.233) 11.597 9.840 ( 13.274 2.552 -8.554) 15.996 9.990 ( 13.440 -3.443 6.899) 15.494 10.178 ( 8.259 -0.795 -11.190) 13.931 10.498 ( 8.529 0.026 6.022) 10.441 10.568 ( 12.103 1.448 -1.377) 12.267 11.167 ( -3.352 0.006 4.053) 5.259 11.256 ( 3.961 -1.505 -5.821) 7.199 12.119 ( -10.640 4.403 6.865) 13.406 12.254 ( -9.752 3.427 -6.582) 12.255 12.331 ( 6.285 2.539 8.049) 10.523 12.487 ( 7.351 6.354 -8.275) 12.763 12.613 ( -1.651 -5.199 0.326) 5.465 12.682 ( -1.109 -7.075 -6.157) 9.444 13.637 ( -4.129 1.435 5.153) 6.758 13.661 ( -2.869 -1.831 2.749) 4.375 15.174 ( -17.522 -1.365 4.413) 18.120 15.256 ( -22.410 -2.637 -4.713) 23.052 16.949 ( -8.082 0.171 -0.608) 8.106 17.056 ( -11.973 1.364 -9.719) 15.481 19.161 ( -19.242 2.377 14.343) 24.117 19.327 ( -16.215 2.145 -3.929) 16.821 ======================= Grid point 550 (158/219) ======================= q-point: ( 0.19 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 13.564 -0.165 10.680) 17.265 3.100 ( 11.268 -1.948 -3.021) 11.827 3.628 ( 14.145 0.122 1.506) 14.226 3.787 ( 10.518 -3.592 -11.474) 15.975 4.327 ( 14.943 -0.568 1.331) 15.013 4.403 ( 11.162 -0.211 -6.152) 12.747 5.384 ( 25.231 4.281 9.888) 27.436 5.570 ( 19.041 4.128 -10.144) 21.966 6.135 ( 3.728 -1.387 10.340) 11.079 6.345 ( 0.469 0.291 -10.583) 10.597 6.775 ( 35.075 9.951 2.917) 36.576 6.823 ( 34.430 8.057 -1.992) 35.416 7.302 ( 44.481 -11.394 7.877) 46.588 7.437 ( 46.880 -12.976 -6.180) 49.034 8.109 ( 2.049 1.630 14.460) 14.695 8.391 ( -3.747 4.432 -13.947) 15.106 8.957 ( -5.636 0.693 3.923) 6.902 8.987 ( -6.035 -0.319 0.403) 6.057 9.501 ( -3.669 -1.632 2.504) 4.732 9.537 ( 0.848 -0.581 -0.909) 1.372 9.938 ( 15.829 0.532 6.652) 17.178 10.093 ( 13.113 4.876 -5.033) 14.868 10.174 ( 10.046 0.783 -4.846) 11.181 10.236 ( 2.003 4.421 -7.654) 9.063 10.777 ( 16.678 1.848 6.554) 18.014 10.845 ( 14.245 3.567 -0.095) 14.685 11.171 ( 3.862 -0.982 6.860) 7.933 11.353 ( 3.271 -2.757 -11.815) 12.566 11.855 ( -11.147 6.691 6.600) 14.581 11.990 ( -11.873 5.297 -6.507) 14.539 12.448 ( 5.387 4.613 9.931) 12.204 12.572 ( -1.203 1.692 0.416) 2.118 12.637 ( 7.639 -4.564 1.109) 8.967 12.784 ( 3.112 -9.121 -7.722) 12.349 13.526 ( -5.527 2.231 4.065) 7.215 13.596 ( -4.970 -1.164 -1.765) 5.402 14.798 ( -24.071 -3.276 2.269) 24.399 14.829 ( -19.146 -2.935 0.091) 19.369 16.773 ( -9.572 0.423 -4.352) 10.524 16.800 ( -12.464 1.683 -5.833) 13.864 18.787 ( -17.349 4.099 14.665) 23.083 18.997 ( -15.770 3.967 -7.652) 17.972 ======================= Grid point 551 (159/219) ======================= q-point: ( 0.25 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 8.423 -2.027 5.911) 10.487 3.279 ( 6.388 -1.287 -5.602) 8.593 3.764 ( 1.411 1.723 4.833) 5.322 3.868 ( 0.043 2.025 -5.332) 5.704 4.729 ( 21.174 -1.693 -3.117) 21.469 4.765 ( 23.811 -3.631 -6.651) 24.988 5.725 ( 13.885 12.595 5.051) 19.415 5.807 ( 8.823 11.217 -3.647) 14.729 6.254 ( 6.212 -8.652 5.514) 11.994 6.369 ( 1.574 -5.077 -5.595) 7.718 7.328 ( 24.912 5.117 3.407) 25.659 7.370 ( 24.416 5.545 -1.387) 25.076 7.874 ( 7.894 2.401 15.592) 17.640 8.107 ( 9.269 -6.961 -5.855) 12.986 8.369 ( 17.031 0.446 0.205) 17.038 8.476 ( 23.536 -5.350 -7.927) 25.404 8.709 ( -16.769 0.687 3.170) 17.080 8.772 ( -15.432 -1.358 -3.379) 15.856 9.540 ( 9.433 -4.430 8.929) 13.723 9.670 ( 11.406 -4.464 -4.461) 13.035 10.183 ( 2.043 7.519 0.505) 7.809 10.248 ( 3.849 4.285 -6.271) 8.515 10.332 ( 21.773 1.559 6.264) 22.710 10.510 ( 20.680 1.866 -11.605) 23.788 11.019 ( 6.372 3.054 6.703) 9.740 11.062 ( 13.627 6.106 3.724) 15.390 11.265 ( 1.989 2.499 2.000) 3.769 11.362 ( -4.473 -2.298 -7.601) 9.113 11.681 ( -0.641 4.979 4.995) 7.082 11.825 ( 0.382 2.826 -8.449) 8.917 12.483 ( 1.134 3.502 7.991) 8.798 12.541 ( -0.461 1.822 4.351) 4.740 12.776 ( -1.507 -5.577 5.759) 8.157 12.883 ( 3.918 -7.271 -5.024) 9.668 13.413 ( -4.346 3.089 -1.460) 5.528 13.475 ( -6.535 0.027 -7.021) 9.592 14.370 ( -19.813 -4.229 9.544) 22.395 14.501 ( -15.490 -2.320 -3.292) 16.005 16.538 ( -11.611 2.453 -0.957) 11.906 16.598 ( -8.821 -0.472 -8.087) 11.976 18.413 ( -17.786 5.134 14.891) 23.758 18.646 ( -17.023 5.236 -9.623) 20.244 ======================= Grid point 552 (160/219) ======================= q-point: ( 0.31 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( 4.445 -1.889 3.867) 6.187 3.380 ( 3.468 -0.745 -4.575) 5.789 3.736 ( -1.818 2.111 4.644) 5.415 3.828 ( -1.944 2.631 -4.788) 5.799 5.154 ( 19.524 -1.705 0.064) 19.599 5.245 ( 20.970 -2.636 -9.035) 22.985 5.816 ( 4.884 12.560 1.848) 13.603 5.842 ( 3.760 11.854 -0.822) 12.464 6.426 ( 4.760 -7.187 2.003) 8.850 6.464 ( 3.412 -6.769 -1.660) 7.760 7.648 ( 8.976 6.028 3.599) 11.396 7.690 ( 9.245 4.062 -0.780) 10.128 7.901 ( -0.659 3.811 10.114) 10.828 8.076 ( -5.807 0.331 -6.473) 8.702 8.424 ( -11.351 -9.454 2.286) 14.948 8.486 ( -6.453 -3.147 -3.912) 8.176 8.759 ( 12.931 -4.954 8.117) 16.051 8.921 ( 16.515 0.212 -8.238) 18.457 9.826 ( 11.906 -3.344 6.947) 14.184 9.957 ( 9.024 -1.820 -6.491) 11.265 10.164 ( 4.953 6.064 4.452) 9.007 10.296 ( 6.333 6.469 -9.774) 13.322 10.724 ( 13.991 1.653 5.146) 14.999 10.827 ( 9.112 1.875 -4.369) 10.278 11.135 ( 5.786 3.566 4.393) 8.092 11.175 ( 2.756 1.241 -2.264) 3.777 11.237 ( -0.088 3.082 4.008) 5.056 11.338 ( 6.696 -1.738 -3.801) 7.894 11.733 ( 6.002 3.263 7.467) 10.120 11.932 ( 9.272 6.681 -11.339) 16.099 12.442 ( -4.237 2.617 9.697) 10.901 12.533 ( 0.293 0.393 2.605) 2.651 12.693 ( -6.626 -6.177 10.020) 13.507 12.910 ( -8.924 -6.241 -13.150) 17.073 13.330 ( 1.456 0.783 2.338) 2.863 13.438 ( 2.571 1.193 -8.372) 8.838 14.103 ( -9.756 -3.131 11.394) 15.323 14.259 ( -10.067 -1.487 -4.654) 11.190 16.316 ( -9.086 2.478 2.941) 9.867 16.443 ( -7.009 -0.159 -10.843) 12.912 18.033 ( -17.185 4.623 14.844) 23.175 18.271 ( -17.280 5.164 -10.153) 20.696 ======================= Grid point 553 (161/219) ======================= q-point: ( 0.38 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.366 ( 1.813 -0.901 2.655) 3.339 3.428 ( 1.440 0.859 -3.764) 4.120 3.696 ( -1.248 -0.062 4.534) 4.703 3.778 ( -1.492 2.011 -3.830) 4.576 5.470 ( 10.826 -0.409 0.907) 10.872 5.559 ( 8.806 -0.550 -7.547) 11.610 5.831 ( 3.532 7.627 1.088) 8.475 5.858 ( 4.169 7.507 -1.596) 8.734 6.512 ( 0.410 -3.687 1.376) 3.957 6.545 ( 1.602 -3.338 -2.260) 4.338 7.599 ( -7.012 3.469 2.688) 8.272 7.639 ( -6.542 3.212 -0.847) 7.337 7.897 ( 1.510 0.873 6.593) 6.820 8.039 ( 0.370 -0.420 -7.466) 7.487 8.392 ( -0.578 -12.698 6.810) 14.420 8.503 ( 1.845 -8.433 -4.473) 9.723 8.974 ( 8.117 2.583 11.349) 14.190 9.163 ( 10.412 7.068 -8.129) 14.981 9.922 ( -5.094 2.072 0.573) 5.529 9.944 ( -0.485 -5.160 -1.362) 5.359 10.375 ( 10.292 1.143 1.777) 10.507 10.446 ( 10.440 5.659 -6.199) 13.395 10.804 ( 0.776 2.980 1.517) 3.433 10.859 ( -3.846 -0.085 -3.788) 5.399 11.126 ( 0.592 4.910 3.702) 6.178 11.191 ( 0.317 7.162 -2.780) 7.689 11.384 ( 7.254 -6.118 10.853) 14.416 11.569 ( 10.589 -4.202 -4.294) 12.174 11.816 ( 3.381 4.561 5.832) 8.140 12.004 ( 3.098 10.153 -10.323) 14.807 12.316 ( -5.872 -1.836 12.528) 13.957 12.547 ( 0.723 -2.752 -5.941) 6.587 12.656 ( -1.509 -3.819 4.979) 6.454 12.723 ( -8.226 -2.737 -6.041) 10.566 13.426 ( 5.493 -0.174 3.393) 6.458 13.533 ( 6.086 -1.636 -6.802) 9.273 13.990 ( -3.887 -1.254 8.930) 9.820 14.119 ( -4.941 -0.658 -4.308) 6.589 16.159 ( -5.129 2.409 5.381) 7.814 16.327 ( -4.483 0.604 -12.545) 13.336 17.713 ( -12.045 2.430 14.045) 18.662 17.936 ( -13.008 3.290 -9.449) 16.411 ======================= Grid point 554 (162/219) ======================= q-point: ( 0.44 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( 0.484 -0.606 1.199) 1.428 3.429 ( -0.191 2.331 -2.726) 3.592 3.691 ( -0.149 -2.516 3.637) 4.425 3.745 ( -0.899 1.572 -1.795) 2.550 5.574 ( 0.702 1.298 -0.251) 1.497 5.627 ( -0.357 0.271 -4.661) 4.683 5.843 ( -0.935 2.978 1.002) 3.278 5.871 ( -0.968 3.179 -1.582) 3.681 6.507 ( -1.470 -2.468 1.605) 3.291 6.567 ( -1.292 -2.425 -5.558) 6.200 7.496 ( -0.568 0.455 4.136) 4.200 7.556 ( 0.018 0.445 -1.863) 1.916 7.903 ( -1.649 -1.636 5.433) 5.908 8.032 ( -1.622 -1.849 -7.946) 8.318 8.470 ( 0.495 -8.475 7.658) 11.433 8.574 ( -0.372 -6.649 -3.164) 7.372 9.059 ( 4.044 7.004 11.665) 14.195 9.245 ( 3.664 10.328 -7.895) 13.507 9.845 ( -2.171 -0.985 4.467) 5.064 9.958 ( -1.156 -7.231 -7.213) 10.278 10.416 ( -4.934 0.319 3.790) 6.230 10.530 ( -3.560 -1.476 -7.494) 8.427 10.786 ( -0.511 1.655 1.753) 2.465 10.841 ( 4.704 3.681 -3.941) 7.157 11.093 ( -1.531 2.556 2.577) 3.939 11.138 ( -2.034 3.873 -2.105) 4.855 11.488 ( -0.135 -5.880 15.302) 16.393 11.686 ( -0.513 0.660 4.390) 4.469 11.801 ( -2.966 -2.850 -4.212) 5.888 11.983 ( -0.106 7.636 -13.271) 15.311 12.289 ( 2.054 -0.557 15.881) 16.023 12.609 ( -1.711 -1.321 -1.411) 2.581 12.618 ( 5.695 0.016 -7.995) 9.816 12.681 ( -0.493 -0.730 -1.607) 1.833 13.496 ( 0.644 -0.023 5.719) 5.755 13.635 ( 1.549 -1.475 -8.155) 8.431 13.948 ( -0.676 -0.550 8.633) 8.677 14.065 ( -1.154 -1.313 -3.530) 3.940 16.092 ( -0.356 1.676 6.125) 6.360 16.272 ( -0.361 0.478 -12.975) 12.989 17.565 ( -1.918 -0.431 12.691) 12.842 17.763 ( -2.815 -0.321 -8.239) 8.713 ======================= Grid point 555 (163/219) ======================= q-point: (-0.50 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( -0.493 -0.806 -0.779) 1.225 3.400 ( -1.072 2.018 -1.023) 2.503 3.712 ( 0.240 -3.248 1.682) 3.666 3.719 ( -0.814 1.014 0.829) 1.542 5.500 ( -7.620 2.366 0.677) 8.008 5.571 ( -5.458 0.172 -5.691) 7.887 5.727 ( -8.344 -0.474 1.139) 8.435 5.765 ( -8.644 -0.009 -2.720) 9.062 6.513 ( -0.229 -3.891 0.205) 3.903 6.538 ( -2.845 -3.160 -3.134) 5.282 7.560 ( 5.211 -0.434 4.172) 6.690 7.606 ( 3.572 -0.102 -0.207) 3.580 7.851 ( -4.677 -3.183 6.262) 8.439 8.008 ( -1.623 -2.553 -9.695) 10.156 8.484 ( -2.950 -4.377 5.032) 7.293 8.548 ( -4.978 -3.115 -1.422) 6.042 9.077 ( 2.642 8.357 8.987) 12.553 9.212 ( -0.731 9.772 -5.543) 11.259 9.830 ( -1.128 -3.754 5.664) 6.888 9.977 ( -1.429 -5.796 -9.808) 11.482 10.235 ( -13.116 -3.034 4.494) 14.192 10.360 ( -12.552 -2.835 -7.931) 15.116 10.786 ( -0.616 0.343 5.126) 5.174 10.893 ( 0.237 0.537 -5.787) 5.817 11.052 ( -1.452 -0.338 2.228) 2.680 11.078 ( -2.840 -0.595 -0.481) 2.941 11.472 ( -4.542 -3.269 13.475) 14.591 11.579 ( -8.355 2.117 6.644) 10.882 11.768 ( -3.769 -8.265 -7.027) 11.484 11.851 ( -9.711 4.666 -10.902) 15.328 12.355 ( 3.793 1.465 15.376) 15.904 12.617 ( 1.148 3.597 -5.989) 7.080 12.669 ( 1.526 -2.068 4.576) 5.249 12.807 ( 13.432 3.464 -10.825) 17.595 13.439 ( -5.544 0.833 4.911) 7.453 13.570 ( -7.246 1.403 -8.009) 10.891 13.996 ( 5.331 -0.991 8.727) 10.274 14.106 ( 4.658 -2.164 -2.524) 5.723 16.128 ( 4.570 0.232 6.362) 7.837 16.316 ( 4.706 -0.293 -13.594) 14.388 17.640 ( 7.948 -3.325 12.698) 15.345 17.837 ( 8.264 -4.655 -8.112) 12.481 ======================= Grid point 556 (164/219) ======================= q-point: (-0.44 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( -3.278 2.105 1.051) 4.035 3.385 ( -1.935 -0.497 -3.130) 3.713 3.702 ( -0.310 -0.310 3.368) 3.396 3.743 ( 0.464 -4.407 -0.664) 4.481 5.225 ( -17.368 4.368 2.195) 18.043 5.337 ( -17.513 4.746 -9.042) 20.273 5.582 ( -7.678 -6.021 1.473) 9.867 5.627 ( -6.286 -5.805 -2.742) 8.985 6.487 ( -4.550 -2.228 0.432) 5.085 6.507 ( -3.220 -2.964 -1.493) 4.624 7.552 ( -9.092 -2.277 3.938) 10.166 7.600 ( -10.469 -3.220 -0.775) 10.980 7.820 ( 1.691 -2.194 11.934) 12.251 8.049 ( 4.903 -1.696 -11.411) 12.535 8.434 ( -2.975 -3.843 2.421) 5.430 8.478 ( -1.589 -3.483 -2.131) 4.382 9.032 ( -2.685 12.602 3.724) 13.413 9.087 ( -5.483 11.233 -2.093) 12.674 9.831 ( -5.072 -8.317 4.142) 10.586 9.927 ( -6.654 0.469 -2.662) 7.182 9.996 ( -11.888 -9.277 1.755) 15.181 10.135 ( -9.444 -1.606 -9.018) 13.156 10.687 ( -12.836 -2.024 5.844) 14.249 10.794 ( -11.599 -2.833 -4.773) 12.859 11.018 ( -4.562 -3.379 3.051) 6.445 11.030 ( -4.779 -3.866 0.990) 6.226 11.324 ( -7.035 4.434 5.373) 9.901 11.407 ( -6.130 1.805 -0.243) 6.395 11.630 ( -9.389 -4.392 0.188) 10.367 11.737 ( -4.926 -8.363 -8.563) 12.944 12.399 ( 0.923 -0.551 11.109) 11.161 12.570 ( -2.159 2.882 -4.808) 6.007 12.802 ( 9.835 2.458 14.337) 17.560 13.058 ( 11.223 5.706 -11.614) 17.129 13.329 ( -2.137 0.842 0.304) 2.317 13.418 ( -5.742 0.080 -8.392) 10.169 14.169 ( 12.832 1.709 8.978) 15.754 14.278 ( 11.828 -0.447 -2.167) 12.033 16.262 ( 8.359 -1.447 5.579) 10.154 16.443 ( 7.545 -0.300 -13.719) 15.659 17.891 ( 13.725 -6.514 13.881) 20.579 18.106 ( 14.130 -8.030 -8.863) 18.512 ======================= Grid point 557 (165/219) ======================= q-point: (-0.38 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( -7.716 3.155 3.334) 8.978 3.312 ( -5.628 1.026 -5.367) 7.844 3.712 ( -0.026 -2.294 4.885) 5.397 3.781 ( 0.376 -5.156 -1.902) 5.509 4.811 ( -20.523 5.326 0.301) 21.205 4.895 ( -22.076 6.955 -7.822) 24.431 5.453 ( -10.907 -8.439 4.072) 14.379 5.549 ( -7.241 -9.253 -5.712) 13.064 6.366 ( -8.656 -0.599 2.329) 8.984 6.419 ( -6.557 -1.848 -2.665) 7.316 7.212 ( -28.574 -2.913 2.648) 28.844 7.238 ( -24.757 -2.999 -0.184) 24.939 7.842 ( -1.512 -0.479 16.619) 16.694 8.138 ( 1.333 -2.682 -13.953) 14.271 8.442 ( -5.471 1.587 2.500) 6.221 8.503 ( -5.315 -3.657 -3.304) 7.248 8.809 ( -6.782 7.861 2.297) 10.633 8.875 ( -5.757 9.697 -3.888) 11.928 9.651 ( -7.153 2.792 8.557) 11.497 9.776 ( -11.274 1.413 -4.586) 12.253 9.910 ( -4.526 -12.523 4.452) 14.040 10.042 ( -5.973 -9.017 -8.716) 13.890 10.301 ( -22.483 -2.379 6.844) 23.621 10.468 ( -20.661 -3.015 -10.015) 23.157 10.891 ( -10.903 -5.834 3.307) 12.801 10.904 ( -9.538 -5.037 1.594) 10.903 11.242 ( -1.190 0.307 7.236) 7.340 11.402 ( 4.734 0.385 -6.818) 8.310 11.540 ( -3.456 -6.632 3.842) 8.407 11.694 ( -2.646 -6.900 -10.125) 12.535 12.406 ( -0.963 -2.102 9.703) 9.975 12.531 ( -0.467 1.316 -1.634) 2.149 12.923 ( 1.068 5.086 13.168) 14.157 13.085 ( 1.254 8.915 -1.634) 9.150 13.353 ( 1.799 -1.153 -2.368) 3.189 13.461 ( 8.853 -0.750 -10.738) 13.938 14.497 ( 22.164 5.324 5.750) 23.508 14.568 ( 18.048 2.733 -1.018) 18.282 16.462 ( 10.246 -3.327 3.056) 11.198 16.604 ( 8.439 -0.216 -12.395) 14.997 18.234 ( 15.880 -8.888 14.710) 23.400 18.458 ( 15.533 -9.781 -8.972) 20.431 ======================= Grid point 558 (166/219) ======================= q-point: (-0.31 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( -14.857 4.108 6.742) 16.824 3.145 ( -10.429 1.511 -8.913) 13.802 3.667 ( -7.073 2.016 9.225) 11.798 3.812 ( -0.407 -3.240 -3.932) 5.111 4.392 ( -18.496 4.722 -1.913) 19.185 4.442 ( -17.690 4.926 -7.255) 19.745 5.223 ( -17.779 -7.562 8.566) 21.134 5.408 ( -13.310 -8.300 -11.041) 19.182 6.170 ( -11.878 -2.097 7.166) 14.030 6.298 ( -7.852 -6.183 -4.925) 11.142 6.536 ( -41.178 -5.294 5.753) 41.914 6.657 ( -33.130 0.197 -6.567) 33.775 7.642 ( -26.343 13.326 13.289) 32.375 7.845 ( -40.053 17.989 -8.692) 44.759 8.067 ( -12.091 -0.073 7.607) 14.285 8.252 ( -2.067 -5.624 -10.057) 11.707 8.885 ( 5.496 -4.767 3.398) 8.030 8.933 ( 5.418 -6.358 -2.041) 8.599 9.535 ( -11.181 0.606 4.664) 12.130 9.592 ( -0.773 1.683 -0.425) 1.900 9.823 ( -9.457 -9.704 2.900) 13.857 9.899 ( -13.036 -11.941 -3.535) 18.028 10.057 ( -5.609 -3.780 1.860) 7.015 10.179 ( -8.410 -2.183 -9.579) 12.933 10.682 ( -12.753 -5.330 3.225) 14.193 10.723 ( -11.685 -5.208 -1.275) 12.856 11.209 ( -1.265 1.627 10.706) 10.903 11.446 ( -1.171 3.816 -13.490) 14.068 11.620 ( 6.206 -11.372 6.267) 14.391 11.768 ( 4.568 -11.200 -8.155) 14.587 12.371 ( -4.148 -1.707 9.575) 10.574 12.519 ( -1.444 -0.552 -4.215) 4.490 12.822 ( -3.428 8.510 10.440) 13.899 13.038 ( -0.739 11.082 -8.981) 14.283 13.469 ( 7.386 -1.957 7.937) 11.018 13.615 ( 6.185 0.288 -4.868) 7.876 14.908 ( 20.914 5.206 4.005) 21.921 14.972 ( 26.108 8.102 -2.924) 27.492 16.699 ( 10.940 -5.173 -0.827) 12.129 16.775 ( 8.569 -0.772 -9.784) 13.029 18.612 ( 16.697 -9.552 14.875) 24.317 18.823 ( 15.390 -9.833 -7.615) 19.787 ======================= Grid point 559 (167/219) ======================= q-point: (-0.25 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -21.714 3.817 13.189) 25.691 2.892 ( -14.176 0.551 -14.728) 20.449 3.355 ( -19.265 12.207 15.430) 27.536 3.704 ( -12.303 9.845 -17.671) 23.676 4.072 ( -10.699 -2.891 6.948) 13.081 4.200 ( -8.716 -3.481 -5.670) 10.966 4.839 ( -23.276 -0.836 14.780) 27.584 5.124 ( -18.552 -4.049 -15.121) 24.273 5.667 ( -46.305 -7.479 4.962) 47.167 5.745 ( -42.047 -11.471 -1.161) 43.599 6.140 ( -8.915 -2.937 3.253) 9.935 6.262 ( -4.520 -1.844 -9.318) 10.519 6.724 ( -46.942 18.257 2.564) 50.432 6.785 ( -51.245 20.072 -4.869) 55.251 8.036 ( 0.982 -6.572 17.296) 18.529 8.301 ( 0.196 -9.246 -10.433) 13.941 8.913 ( -6.826 -8.110 2.429) 10.875 8.987 ( -6.542 -7.969 -6.302) 12.084 9.320 ( -9.780 -0.978 10.382) 14.297 9.504 ( -8.250 -1.944 -7.629) 11.404 9.712 ( -8.268 -3.152 0.462) 8.861 9.757 ( -8.970 -3.713 -3.038) 10.172 10.031 ( 1.119 -3.333 4.049) 5.363 10.106 ( -2.201 -7.547 -3.108) 8.453 10.483 ( -9.119 -2.211 3.430) 9.990 10.549 ( -6.423 1.336 -3.827) 7.595 11.192 ( 0.684 2.495 8.253) 8.649 11.356 ( -3.598 6.587 -7.683) 10.740 11.849 ( 7.680 -16.036 4.253) 18.282 11.959 ( 4.841 -16.882 -5.649) 18.448 12.283 ( -3.558 -0.010 5.010) 6.145 12.441 ( -6.352 0.300 -10.086) 11.923 12.757 ( 1.793 8.323 9.923) 13.075 12.951 ( -0.407 11.852 -9.789) 15.377 13.613 ( 5.835 -0.439 8.921) 10.668 13.704 ( 3.531 1.356 0.105) 3.784 15.265 ( 18.341 5.780 7.618) 20.684 15.421 ( 23.713 9.984 -8.721) 27.167 16.927 ( 8.233 -2.777 -4.010) 9.569 16.968 ( 10.347 -4.828 -7.081) 13.435 19.010 ( 18.159 -9.211 14.657) 25.088 19.185 ( 15.771 -8.979 -4.488) 18.695 ======================= Grid point 560 (168/219) ======================= q-point: (-0.19 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -22.692 2.539 23.164) 32.526 2.598 ( -14.847 1.736 -16.868) 22.538 2.821 ( -26.387 12.461 12.187) 31.624 3.238 ( -26.109 12.938 -23.164) 37.225 3.816 ( -21.842 5.292 18.873) 29.347 4.060 ( -8.358 -1.736 -5.148) 9.969 4.393 ( -18.666 0.829 22.422) 29.187 4.683 ( -31.317 -8.941 -3.371) 32.742 4.868 ( -37.951 -7.705 -1.536) 38.756 5.059 ( -19.313 3.078 -23.415) 30.507 5.637 ( -42.950 12.624 0.698) 44.772 5.696 ( -44.592 15.621 -6.355) 47.675 6.117 ( -2.558 -6.764 8.813) 11.401 6.289 ( -1.301 -8.583 -9.573) 12.923 8.089 ( -2.551 -6.233 17.095) 18.374 8.279 ( -13.905 -12.814 -3.888) 19.304 8.698 ( -29.338 -18.343 -4.067) 34.839 8.750 ( -13.325 -14.027 -6.080) 20.280 9.196 ( -2.072 5.249 7.889) 9.700 9.348 ( -6.769 1.832 -5.923) 9.179 9.515 ( -11.494 0.233 0.214) 11.498 9.557 ( -10.020 0.841 -2.907) 10.467 10.017 ( -0.368 11.285 8.470) 14.114 10.190 ( 3.372 -2.050 -7.044) 8.075 10.365 ( -3.437 -1.390 3.353) 4.999 10.437 ( -1.775 9.797 -5.188) 11.227 11.176 ( -1.989 -0.835 4.865) 5.322 11.279 ( -1.177 3.446 -4.824) 6.044 12.068 ( 1.481 -18.972 5.525) 19.815 12.137 ( 5.163 -16.233 -2.542) 17.223 12.298 ( 3.776 -0.543 -3.968) 5.504 12.334 ( -0.796 0.799 -8.256) 8.333 12.750 ( 0.880 5.945 5.789) 8.345 12.885 ( 0.263 10.362 -7.666) 12.892 13.694 ( 2.508 0.955 7.007) 7.503 13.743 ( 1.569 1.992 2.415) 3.502 15.546 ( 13.162 5.228 9.972) 17.320 15.762 ( 16.477 9.547 -12.084) 22.554 17.074 ( 5.737 -1.162 0.801) 5.908 17.201 ( 9.073 -5.822 -10.413) 14.988 19.453 ( 20.968 -10.456 13.279) 26.931 19.558 ( 16.660 -8.586 0.807) 18.760 ======================= Grid point 561 (169/219) ======================= q-point: (-0.12 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -13.777 0.484 33.997) 36.686 2.059 ( -34.824 13.977 26.000) 45.652 2.384 ( -15.962 -1.804 -31.322) 35.201 2.592 ( -26.624 5.750 -29.810) 40.379 3.245 ( -18.516 25.496 47.248) 56.791 3.866 ( -11.895 0.342 0.905) 11.934 4.019 ( -17.208 -4.322 -7.557) 19.285 4.181 ( -20.683 1.320 -16.220) 26.318 4.499 ( -2.422 -4.811 14.470) 15.440 4.767 ( -17.729 6.606 -6.195) 19.908 4.850 ( -28.335 5.389 1.169) 28.867 5.038 ( -10.407 -0.996 -24.783) 26.898 6.166 ( 2.305 -8.448 9.965) 13.266 6.343 ( 1.114 -8.228 -9.049) 12.281 7.648 ( -38.452 -1.496 5.299) 38.844 7.813 ( -46.578 -12.101 -12.591) 49.744 8.365 ( -5.352 -14.141 23.189) 27.683 8.727 ( -0.806 -16.121 -13.721) 21.185 9.142 ( -0.269 4.830 5.254) 7.142 9.228 ( -3.716 3.150 -1.701) 5.160 9.305 ( -8.469 1.369 2.259) 8.872 9.399 ( -4.631 3.343 -6.272) 8.483 9.891 ( -0.112 26.508 7.036) 27.426 10.119 ( -0.726 33.608 -15.953) 37.209 10.363 ( 0.177 -5.260 2.989) 6.052 10.414 ( 0.809 -5.042 -1.900) 5.449 11.156 ( -1.249 -3.643 2.666) 4.684 11.221 ( -3.913 -2.152 -4.085) 6.053 12.187 ( 1.652 -15.532 7.912) 17.509 12.349 ( 5.426 -13.501 -4.893) 15.351 12.362 ( 6.528 1.322 0.238) 6.665 12.437 ( 4.426 -3.783 -5.250) 7.840 12.701 ( -2.881 3.744 3.167) 5.687 12.832 ( -0.938 4.986 -8.791) 10.150 13.710 ( 0.323 1.562 5.621) 5.843 13.744 ( -0.049 2.322 3.003) 3.796 15.715 ( 6.643 3.712 11.034) 13.404 15.955 ( 8.244 7.155 -12.956) 16.941 17.163 ( 2.888 0.040 7.257) 7.810 17.376 ( 5.146 -4.549 -13.464) 15.114 19.896 ( 13.344 -10.606 10.469) 20.004 19.981 ( 20.808 -14.072 3.863) 25.415 ======================= Grid point 562 (170/219) ======================= q-point: (-0.06 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 0.000 11.301 32.289) 34.209 1.655 ( -0.000 -3.534 41.628) 41.777 2.063 ( 0.000 5.846 -29.193) 29.773 2.401 ( -0.000 -1.856 -34.261) 34.312 2.910 ( 0.000 24.550 57.157) 62.206 3.703 ( -0.000 -2.046 11.237) 11.422 3.885 ( -0.000 -3.009 -7.886) 8.440 3.937 ( 0.000 10.728 -44.831) 46.097 4.503 ( 0.000 1.357 1.364) 1.924 4.527 ( 0.000 1.677 -1.078) 1.993 4.599 ( -0.000 -11.374 19.929) 22.946 5.010 ( -0.000 -1.598 -25.225) 25.275 6.285 ( -0.000 -9.719 6.316) 11.591 6.413 ( -0.000 -5.411 -7.656) 9.375 7.123 ( 0.000 3.649 1.212) 3.845 7.147 ( 0.000 3.908 -1.286) 4.114 8.415 ( -0.000 -11.807 27.229) 29.678 8.820 ( -0.000 -14.126 -14.973) 20.585 9.140 ( -0.000 -0.247 2.575) 2.587 9.174 ( 0.000 3.980 8.192) 9.107 9.190 ( -0.000 -0.095 -2.449) 2.451 9.328 ( 0.000 4.927 -7.692) 9.135 9.724 ( 0.000 26.547 2.528) 26.667 9.875 ( 0.000 38.000 -12.497) 40.002 10.398 ( -0.000 -4.316 3.919) 5.830 10.464 ( -0.000 -6.155 -2.772) 6.750 11.165 ( -0.000 -3.283 1.451) 3.589 11.194 ( -0.000 -3.209 -1.518) 3.550 12.290 ( -0.000 -10.487 8.407) 13.441 12.468 ( 0.000 0.563 1.068) 1.208 12.484 ( -0.000 -10.498 -9.100) 13.893 12.488 ( 0.000 0.551 -1.016) 1.156 12.631 ( 0.000 0.573 4.579) 4.615 12.803 ( -0.000 -0.092 -10.175) 10.175 13.703 ( 0.000 1.298 4.948) 5.115 13.727 ( 0.000 2.096 3.378) 3.975 15.763 ( 0.000 2.255 11.004) 11.233 16.002 ( 0.000 4.602 -12.848) 13.648 17.189 ( 0.000 0.591 11.603) 11.618 17.450 ( -0.000 -3.002 -15.044) 15.340 20.095 ( -0.000 -8.233 15.690) 17.719 20.338 ( -0.000 -16.863 -8.190) 18.747 ======================= Grid point 565 (171/219) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 12.390 -0.000 11.196) 16.699 3.087 ( 12.389 -0.000 -1.012) 12.430 3.632 ( 13.418 -0.000 -1.590) 13.512 3.760 ( 14.328 -0.000 -11.778) 18.548 4.325 ( 13.579 -0.000 1.790) 13.696 4.402 ( 10.531 -0.000 -5.834) 12.039 5.411 ( 27.145 -0.000 10.074) 28.954 5.595 ( 20.467 -0.000 -9.907) 22.739 6.127 ( 1.628 -0.000 10.700) 10.823 6.347 ( -0.737 0.000 -11.339) 11.363 6.849 ( 31.125 -0.000 1.978) 31.187 6.874 ( 32.426 -0.000 -0.873) 32.438 7.225 ( 49.755 -0.000 6.951) 50.238 7.350 ( 49.123 -0.000 -5.567) 49.438 8.119 ( 1.060 -0.000 15.572) 15.608 8.420 ( -4.912 0.000 -15.014) 15.797 8.956 ( -3.461 0.000 4.189) 5.434 8.987 ( -7.086 0.000 0.861) 7.138 9.489 ( -6.338 0.000 2.828) 6.940 9.536 ( 0.743 -0.000 -1.933) 2.071 9.940 ( 16.053 -0.000 7.542) 17.737 10.125 ( 15.315 -0.000 -10.716) 18.692 10.174 ( 7.339 -0.000 1.126) 7.425 10.266 ( 3.003 -0.000 -9.264) 9.739 10.787 ( 17.774 -0.000 7.780) 19.403 10.867 ( 14.471 -0.000 0.050) 14.471 11.165 ( 4.346 -0.000 5.845) 7.284 11.335 ( 3.269 -0.000 -11.558) 12.012 11.898 ( -11.754 0.000 6.454) 13.409 12.021 ( -13.263 0.000 -5.499) 14.358 12.491 ( 5.975 -0.000 12.931) 14.244 12.555 ( -1.541 0.000 3.003) 3.375 12.636 ( 6.497 -0.000 -4.469) 7.886 12.712 ( 4.755 -0.000 -8.711) 9.924 13.542 ( -5.269 0.000 2.727) 5.933 13.587 ( -4.650 0.000 -0.495) 4.676 14.777 ( -24.548 0.000 2.415) 24.667 14.812 ( -18.188 0.000 0.071) 18.188 16.774 ( -9.390 0.000 -3.926) 10.178 16.811 ( -12.948 0.000 -6.178) 14.346 18.812 ( -17.475 0.000 14.603) 22.773 19.021 ( -15.841 0.000 -7.613) 17.575 ======================= Grid point 566 (172/219) ======================= q-point: ( 0.19 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( 8.313 -0.759 6.380) 10.507 3.268 ( 6.570 -0.502 -5.633) 8.669 3.779 ( 2.045 0.649 4.491) 4.977 3.884 ( 0.662 0.636 -5.830) 5.901 4.717 ( 20.824 -0.243 -4.234) 21.252 4.733 ( 24.432 -1.529 -5.786) 25.154 5.853 ( 18.272 6.988 4.844) 20.154 5.927 ( 12.733 7.714 -3.202) 15.228 6.147 ( 1.280 -7.641 8.204) 11.285 6.311 ( -2.475 -3.433 -7.779) 8.855 7.371 ( 22.834 1.882 3.843) 23.231 7.421 ( 23.496 2.455 -1.911) 23.702 7.908 ( 8.141 2.843 11.622) 14.472 8.023 ( 19.281 -5.473 2.027) 20.145 8.388 ( 15.698 2.081 -4.148) 16.369 8.419 ( 18.897 -3.542 -5.596) 20.024 8.729 ( -17.281 2.066 0.223) 17.406 8.753 ( -16.851 -1.848 -2.132) 17.085 9.501 ( 10.230 -1.772 8.881) 13.663 9.631 ( 10.831 -1.730 -4.601) 11.894 10.245 ( 1.797 3.062 -0.872) 3.655 10.267 ( 5.796 -0.359 -2.158) 6.195 10.354 ( 19.432 1.388 3.873) 19.863 10.531 ( 20.512 1.160 -12.815) 24.214 11.041 ( 4.306 0.784 8.343) 9.421 11.114 ( 14.634 2.282 4.319) 15.428 11.297 ( 3.683 2.335 -0.655) 4.410 11.336 ( -3.527 -1.953 -6.018) 7.244 11.729 ( -2.769 2.455 3.183) 4.881 11.842 ( -0.554 0.389 -6.585) 6.619 12.521 ( -0.036 2.440 8.327) 8.677 12.556 ( 1.032 0.163 6.888) 6.966 12.729 ( -3.818 -1.822 3.057) 5.219 12.814 ( 6.667 -3.507 -6.771) 10.129 13.447 ( -5.277 2.398 -2.746) 6.414 13.469 ( -5.356 -1.135 -4.813) 7.290 14.334 ( -19.342 -1.598 10.452) 22.044 14.481 ( -15.068 -0.897 -4.011) 15.618 16.559 ( -11.884 1.011 -2.201) 12.129 16.593 ( -8.781 -0.313 -6.745) 11.077 18.455 ( -18.265 1.802 14.864) 23.618 18.689 ( -17.382 1.821 -9.686) 19.982 ======================= Grid point 567 (173/219) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.279 ( 4.883 -1.238 4.488) 6.747 3.372 ( 3.921 -0.582 -5.059) 6.427 3.758 ( -2.281 1.461 4.495) 5.248 3.853 ( -2.267 1.439 -5.257) 5.903 5.139 ( 20.088 -0.788 -0.638) 20.113 5.221 ( 22.096 -1.292 -8.862) 23.842 5.964 ( 1.319 11.495 2.962) 11.943 6.001 ( 4.189 14.173 -0.574) 14.790 6.320 ( 6.639 -10.159 2.012) 12.301 6.360 ( 3.249 -10.042 -1.801) 10.707 7.717 ( 12.217 4.162 2.870) 13.221 7.742 ( 9.900 5.114 -0.788) 11.170 7.939 ( -0.920 2.008 9.152) 9.414 8.077 ( -6.559 0.171 -3.560) 7.464 8.300 ( -18.551 -9.597 4.063) 21.278 8.420 ( -12.257 -5.897 -7.911) 15.735 8.746 ( 18.239 1.109 10.228) 20.940 8.943 ( 20.475 2.387 -9.920) 22.876 9.792 ( 12.116 -2.171 7.862) 14.605 9.929 ( 12.530 -2.177 -6.024) 14.072 10.220 ( 0.785 3.135 3.416) 4.702 10.346 ( 5.742 2.103 -9.588) 11.372 10.747 ( 16.147 1.964 5.252) 17.093 10.857 ( 8.892 2.617 -4.972) 10.519 11.127 ( 7.919 -2.551 2.529) 8.695 11.180 ( -4.007 -0.348 -2.076) 4.527 11.283 ( -1.552 2.603 2.330) 3.823 11.356 ( 8.008 3.919 -1.886) 9.113 11.762 ( 6.163 1.599 9.242) 11.223 11.996 ( 12.420 3.689 -12.689) 18.135 12.473 ( -6.298 2.471 12.544) 14.252 12.550 ( -1.293 2.133 4.534) 5.175 12.619 ( -5.143 -5.649 7.285) 10.556 12.841 ( -8.581 -4.875 -14.622) 17.641 13.340 ( 0.494 0.675 2.917) 3.035 13.451 ( 1.772 0.858 -8.089) 8.325 14.070 ( -8.764 -2.025 12.080) 15.061 14.243 ( -9.598 -1.088 -5.577) 11.154 16.342 ( -9.128 1.596 1.610) 9.406 16.441 ( -6.647 -0.163 -9.434) 11.542 18.076 ( -18.323 2.476 15.025) 23.825 18.319 ( -18.248 2.735 -10.427) 21.194 ======================= Grid point 568 (174/219) ======================= q-point: ( 0.31 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.356 ( 2.475 -0.729 3.827) 4.615 3.434 ( 2.331 0.226 -4.195) 4.805 3.700 ( -2.544 0.638 4.634) 5.325 3.798 ( -2.078 1.359 -5.376) 5.922 5.467 ( 11.902 -0.094 0.833) 11.932 5.555 ( 10.100 -0.109 -7.498) 12.580 5.926 ( 1.184 7.718 1.443) 7.940 5.964 ( 0.921 9.554 -2.050) 9.815 6.455 ( 2.114 -5.353 1.994) 6.091 6.485 ( 2.975 -6.300 -1.283) 7.084 7.655 ( -9.886 5.829 1.786) 11.615 7.689 ( -8.927 5.101 -1.416) 10.379 7.900 ( -0.966 -0.698 6.225) 6.338 8.017 ( -0.963 -3.455 -5.668) 6.707 8.230 ( 1.815 -12.933 7.996) 15.313 8.390 ( 1.725 -8.694 -7.930) 11.893 9.034 ( 13.000 6.086 13.891) 19.975 9.261 ( 14.601 8.098 -9.718) 19.318 9.881 ( -3.082 -4.860 2.535) 6.289 9.932 ( -7.649 -0.402 -2.906) 8.192 10.365 ( 8.344 -1.714 4.684) 9.721 10.494 ( 7.440 1.883 -9.073) 11.883 10.849 ( 1.434 4.296 0.607) 4.570 10.883 ( -1.973 3.534 -2.549) 4.783 11.181 ( 1.477 3.513 4.781) 6.114 11.266 ( 0.579 3.759 0.103) 3.805 11.325 ( 6.529 -2.253 4.379) 8.178 11.505 ( 7.770 -5.478 -8.842) 12.983 11.890 ( 6.348 6.877 13.000) 16.018 12.117 ( 1.198 7.709 -7.337) 10.709 12.297 ( -6.820 -0.516 7.748) 10.335 12.506 ( -0.996 -4.356 -8.553) 9.650 12.604 ( -1.432 -4.077 7.178) 8.379 12.692 ( -4.493 -2.449 -3.377) 6.131 13.426 ( 5.444 0.072 2.442) 5.968 13.515 ( 4.487 -1.179 -5.989) 7.576 13.973 ( -3.064 -1.289 8.881) 9.483 14.109 ( -4.937 -0.915 -4.998) 7.085 16.188 ( -5.105 2.225 4.264) 7.013 16.334 ( -4.136 0.482 -11.435) 12.169 17.737 ( -13.731 1.496 14.495) 20.022 17.969 ( -14.732 2.071 -9.883) 17.860 ======================= Grid point 569 (175/219) ======================= q-point: ( 0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( 0.808 0.193 2.992) 3.106 3.457 ( 0.566 2.129 -3.963) 4.534 3.663 ( -1.423 -1.995 5.199) 5.748 3.759 ( -1.311 0.798 -4.499) 4.753 5.593 ( 1.600 1.578 -0.464) 2.294 5.633 ( -0.402 0.788 -3.683) 3.787 5.891 ( -2.321 4.702 0.904) 5.320 5.921 ( -2.283 4.690 -1.832) 5.529 6.470 ( -2.330 -3.354 2.087) 4.587 6.527 ( -1.920 -3.959 -4.573) 6.346 7.504 ( -1.622 0.795 3.545) 3.979 7.564 ( -0.697 0.754 -2.450) 2.656 7.872 ( -3.505 -3.524 5.413) 7.349 7.998 ( -2.750 -3.796 -7.818) 9.116 8.366 ( 3.578 -7.832 7.273) 11.271 8.483 ( 1.454 -7.112 -4.756) 8.679 9.171 ( 6.111 10.903 13.916) 18.705 9.383 ( 3.312 11.737 -8.524) 14.879 9.820 ( -3.031 -3.851 1.304) 5.071 9.853 ( -2.728 -9.015 -1.861) 9.601 10.408 ( -5.139 -1.669 2.033) 5.773 10.507 ( -6.557 -2.241 -8.046) 10.618 10.825 ( 0.146 4.483 2.470) 5.121 10.890 ( 3.542 4.090 -4.034) 6.749 11.135 ( -2.649 4.153 3.659) 6.137 11.200 ( -3.412 6.099 -3.117) 7.652 11.415 ( -0.195 -5.782 12.276) 13.571 11.629 ( -0.666 -7.766 -8.495) 11.529 11.834 ( -4.956 5.781 10.107) 12.654 12.068 ( -2.336 6.394 -12.057) 13.846 12.279 ( 4.690 -1.069 16.672) 17.352 12.585 ( -0.306 -2.576 4.481) 5.178 12.621 ( 8.130 0.362 -13.076) 15.402 12.669 ( -0.439 -1.220 -2.754) 3.044 13.496 ( 1.154 0.202 4.518) 4.667 13.611 ( 2.751 -2.379 -6.535) 7.479 13.940 ( -0.988 -0.567 7.457) 7.543 14.044 ( -2.466 -1.967 -3.279) 4.550 16.118 ( -0.541 2.451 5.142) 5.722 16.279 ( -0.751 0.582 -12.030) 12.067 17.558 ( -3.530 -0.620 12.792) 13.285 17.758 ( -5.232 -0.460 -8.314) 9.834 ======================= Grid point 570 (176/219) ======================= q-point: (-0.56 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( -0.265 0.175 1.359) 1.396 3.434 ( -1.062 3.277 -2.886) 4.494 3.665 ( -0.588 -4.245 4.456) 6.182 3.731 ( -1.283 0.521 -2.317) 2.699 5.534 ( -6.087 3.133 -0.189) 6.848 5.574 ( -4.756 0.513 -3.553) 5.959 5.739 ( -10.077 2.253 1.352) 10.414 5.782 ( -9.874 2.582 -2.940) 10.621 6.452 ( -1.774 -5.726 0.637) 6.028 6.490 ( -3.519 -4.711 -3.772) 6.986 7.555 ( 4.490 -0.444 3.975) 6.013 7.605 ( 2.574 -0.229 -0.915) 2.742 7.805 ( -4.960 -4.218 6.821) 9.430 7.972 ( -1.167 -3.262 -10.480) 11.038 8.429 ( -1.074 -4.147 4.708) 6.365 8.499 ( -3.560 -4.212 -2.306) 5.978 9.182 ( 2.198 8.673 9.617) 13.136 9.314 ( -2.912 6.339 -5.082) 8.631 9.805 ( -1.655 -0.310 3.885) 4.234 9.876 ( -1.821 -9.327 -2.733) 9.889 10.229 ( -12.015 0.806 0.060) 12.043 10.327 ( -11.478 -2.678 -8.533) 14.551 10.791 ( -2.984 0.440 4.917) 5.768 10.891 ( -3.339 -0.537 -5.341) 6.322 11.063 ( -2.142 1.923 2.782) 4.003 11.095 ( -3.974 2.987 -0.506) 4.997 11.410 ( -3.274 -5.843 11.025) 12.900 11.585 ( -7.026 -3.488 -3.312) 8.515 11.709 ( -5.501 0.091 4.984) 7.424 11.904 ( -12.041 3.874 -10.288) 16.305 12.371 ( 3.405 1.263 16.293) 16.693 12.637 ( 2.044 -3.130 5.513) 6.661 12.667 ( 3.647 4.575 -7.069) 9.176 12.840 ( 14.259 1.994 -12.972) 19.380 13.450 ( -5.130 1.062 5.175) 7.364 13.587 ( -6.018 1.461 -8.204) 10.279 13.978 ( 5.335 -1.994 8.217) 9.998 14.070 ( 4.256 -3.675 -1.427) 5.801 16.140 ( 4.116 1.754 5.550) 7.129 16.313 ( 4.278 -0.346 -12.745) 13.448 17.602 ( 6.361 -2.887 11.749) 13.669 17.782 ( 5.842 -4.399 -7.268) 10.311 ======================= Grid point 571 (177/219) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.370 ( -2.557 1.130 -0.353) 2.818 3.384 ( -1.850 1.631 -1.799) 3.052 3.684 ( -0.558 -5.293 2.592) 5.919 3.702 ( -1.318 -0.187 0.622) 1.469 5.286 ( -15.979 5.727 2.949) 17.229 5.394 ( -15.104 4.561 -7.972) 17.677 5.532 ( -8.997 -2.552 1.129) 9.420 5.578 ( -8.414 -2.354 -3.274) 9.330 6.438 ( -4.573 -5.608 -0.185) 7.238 6.453 ( -3.639 -5.705 -1.487) 6.928 7.525 ( -9.650 -2.536 3.342) 10.522 7.566 ( -10.658 -2.425 -0.662) 10.951 7.804 ( 3.667 -0.549 11.219) 11.816 8.028 ( 4.756 -1.708 -12.016) 13.036 8.393 ( -3.136 -2.852 2.241) 4.795 8.431 ( -3.533 -3.810 -1.759) 5.485 9.154 ( -2.469 6.934 3.402) 8.109 9.201 ( -4.987 6.550 -1.709) 8.408 9.740 ( -6.123 -4.883 5.487) 9.562 9.856 ( -6.081 -8.768 -3.445) 11.213 9.968 ( -12.058 2.042 2.902) 12.569 10.130 ( -8.608 0.016 -9.753) 13.009 10.658 ( -13.645 -2.761 4.975) 14.784 10.746 ( -13.389 -4.689 -4.085) 14.763 10.993 ( -5.781 -0.962 3.265) 6.709 11.007 ( -5.286 -0.260 1.168) 5.420 11.351 ( -5.742 -0.967 6.091) 8.427 11.424 ( -6.320 1.711 1.050) 6.631 11.580 ( -12.850 -4.199 -2.134) 13.686 11.657 ( -5.444 -4.006 -7.490) 10.089 12.399 ( 0.347 0.556 12.157) 12.175 12.606 ( -2.248 2.837 -7.410) 8.247 12.823 ( 10.326 1.349 15.178) 18.407 13.117 ( 12.593 3.906 -12.437) 18.125 13.342 ( -2.255 1.154 0.031) 2.533 13.433 ( -6.132 2.673 -7.107) 9.760 14.180 ( 14.577 0.023 7.465) 16.378 14.263 ( 13.193 -2.064 -1.037) 13.393 16.253 ( 7.595 0.048 5.662) 9.474 16.436 ( 7.339 -0.921 -13.781) 15.641 17.816 ( 12.106 -5.688 12.700) 18.445 18.008 ( 12.382 -8.052 -7.676) 16.645 ======================= Grid point 572 (178/219) ======================= q-point: (-0.44 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( -6.681 3.408 1.399) 7.629 3.321 ( -4.924 0.683 -4.310) 6.579 3.684 ( -0.853 -2.619 3.508) 4.460 3.713 ( -0.183 -5.869 0.628) 5.905 4.887 ( -19.579 7.164 2.138) 20.957 4.983 ( -20.818 7.380 -7.167) 23.221 5.375 ( -10.802 -4.588 1.937) 11.895 5.451 ( -8.193 -7.128 -5.335) 12.100 6.329 ( -9.913 -5.048 1.663) 11.248 6.372 ( -8.435 -5.869 -2.494) 10.574 7.196 ( -26.382 0.502 2.988) 26.556 7.229 ( -21.345 1.193 -0.406) 21.382 7.841 ( -0.596 0.374 14.505) 14.522 8.103 ( 0.614 -3.051 -12.235) 12.625 8.427 ( 2.454 -3.695 0.018) 4.436 8.443 ( -0.851 -5.990 -1.621) 6.264 8.916 ( -13.788 9.337 3.224) 16.961 8.999 ( -12.910 9.966 -4.974) 17.050 9.633 ( -7.078 -6.683 5.527) 11.194 9.738 ( -10.388 -7.099 -5.774) 13.844 9.807 ( -5.101 -3.080 9.141) 10.912 9.982 ( -8.306 -0.747 -7.986) 11.547 10.260 ( -23.620 -4.496 6.413) 24.884 10.411 ( -21.754 -6.508 -8.905) 24.390 10.841 ( -10.647 -2.588 2.615) 11.265 10.857 ( -9.894 -2.475 0.800) 10.230 11.248 ( -2.630 0.437 7.933) 8.369 11.389 ( 1.572 -2.872 -0.674) 3.343 11.460 ( -3.276 -6.439 -0.902) 7.281 11.620 ( -1.891 -4.902 -11.710) 12.835 12.392 ( -0.781 -0.188 10.979) 11.008 12.554 ( -1.036 2.427 -4.561) 5.270 12.968 ( 2.632 2.338 17.085) 17.444 13.191 ( 3.701 8.619 -0.007) 9.380 13.350 ( -0.301 0.473 -4.975) 5.006 13.456 ( 9.558 0.270 -10.757) 14.392 14.553 ( 23.368 3.790 3.826) 23.981 14.598 ( 20.774 2.247 -0.486) 20.900 16.426 ( 8.996 -2.472 4.475) 10.347 16.596 ( 7.990 -1.188 -13.814) 16.002 18.128 ( 14.834 -8.452 13.999) 22.078 18.336 ( 14.634 -10.361 -8.061) 19.659 ======================= Grid point 573 (179/219) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -13.442 5.664 3.969) 15.116 3.164 ( -10.370 1.691 -8.049) 13.236 3.674 ( -2.884 -1.334 7.464) 8.112 3.752 ( 0.334 -6.248 -0.405) 6.270 4.459 ( -18.716 6.681 -0.511) 19.879 4.527 ( -19.874 8.494 -6.987) 22.714 5.140 ( -16.224 -5.970 6.762) 18.563 5.306 ( -11.975 -8.566 -10.531) 18.103 6.094 ( -19.464 -9.525 4.821) 22.200 6.184 ( -17.543 -12.157 -4.242) 21.762 6.555 ( -32.948 7.953 8.611) 34.971 6.713 ( -25.393 8.269 -7.951) 27.864 7.764 ( -11.739 6.431 16.514) 21.257 8.023 ( -25.710 8.309 -9.849) 28.759 8.108 ( -27.608 8.040 2.966) 28.908 8.208 ( -9.793 0.160 -7.581) 12.385 8.820 ( 3.809 -6.162 1.049) 7.320 8.842 ( 0.762 -7.756 -1.128) 7.874 9.498 ( -15.025 -8.424 4.473) 17.796 9.578 ( -6.788 -5.409 -2.426) 9.012 9.715 ( -8.545 -8.045 3.017) 12.118 9.765 ( -9.391 -7.014 -0.376) 11.727 10.021 ( -5.685 -2.796 2.414) 6.780 10.138 ( -8.580 -4.718 -9.230) 13.456 10.624 ( -12.425 -4.017 2.881) 13.373 10.668 ( -10.303 -3.733 -1.990) 11.137 11.223 ( -0.216 0.380 11.539) 11.548 11.469 ( 0.039 -2.002 -9.890) 10.091 11.488 ( 4.200 -9.354 2.788) 10.626 11.649 ( 1.525 -7.175 -9.770) 12.217 12.361 ( -2.944 -0.015 10.677) 11.076 12.525 ( -1.437 1.414 -5.186) 5.564 12.921 ( -1.562 7.786 13.184) 15.391 13.168 ( -0.338 10.511 -10.399) 14.789 13.453 ( 8.415 -0.689 9.361) 12.606 13.616 ( 6.527 -0.046 -5.346) 8.437 14.971 ( 21.771 5.279 5.177) 22.992 15.071 ( 28.268 7.967 -5.398) 29.861 16.633 ( 9.502 -5.489 1.791) 11.118 16.761 ( 7.825 -1.671 -12.479) 14.824 18.493 ( 16.445 -9.897 14.593) 24.111 18.696 ( 15.240 -11.026 -7.138) 20.119 ======================= Grid point 574 (180/219) ======================= q-point: (-0.31 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -19.866 8.184 8.337) 23.047 2.901 ( -14.728 1.466 -14.739) 20.887 3.501 ( -13.522 10.752 16.404) 23.823 3.761 ( -4.881 -0.992 -7.483) 8.989 4.079 ( -16.706 4.781 -0.228) 17.378 4.160 ( -12.407 -2.400 -6.303) 14.121 4.815 ( -19.027 -3.029 12.133) 22.768 5.066 ( -17.229 -5.823 -14.183) 23.063 5.575 ( -46.050 -8.875 3.615) 47.036 5.598 ( -37.171 -12.347 0.987) 39.181 6.128 ( -8.515 2.384 6.155) 10.774 6.295 ( -10.163 7.460 -10.861) 16.640 6.948 ( -49.917 18.638 3.520) 53.399 7.026 ( -51.554 19.685 -5.359) 55.444 7.956 ( -0.298 -6.519 15.596) 16.906 8.201 ( -0.766 -7.285 -10.203) 12.561 8.809 ( -10.596 -9.174 1.264) 14.072 8.870 ( -9.795 -10.123 -4.975) 14.939 9.303 ( -6.674 -4.013 9.192) 12.047 9.463 ( -7.325 -5.546 -6.258) 11.117 9.628 ( -5.577 -9.927 2.798) 11.725 9.714 ( -4.869 -4.046 -4.635) 7.846 9.965 ( -1.408 -6.363 3.409) 7.354 10.021 ( -7.427 -6.092 -3.359) 10.176 10.457 ( -5.116 -2.232 4.955) 7.464 10.553 ( -2.080 -0.848 -5.085) 5.559 11.223 ( 0.489 2.045 10.551) 10.758 11.439 ( -1.783 6.442 -9.610) 11.706 11.654 ( 4.635 -15.338 3.472) 16.395 11.759 ( 2.002 -15.540 -5.950) 16.760 12.290 ( -2.322 1.242 6.010) 6.561 12.456 ( -4.569 2.086 -9.574) 10.812 12.865 ( 1.354 9.618 12.173) 15.573 13.092 ( -0.321 11.423 -10.925) 15.809 13.612 ( 6.927 0.349 9.861) 12.056 13.716 ( 3.928 0.713 -0.397) 4.012 15.341 ( 18.850 6.716 9.672) 22.226 15.548 ( 24.736 10.738 -11.648) 29.374 16.861 ( 9.182 -7.484 -1.820) 11.985 16.927 ( 7.890 -2.571 -9.717) 12.778 18.892 ( 17.888 -10.064 14.510) 25.136 19.067 ( 15.702 -10.564 -4.472) 19.446 ======================= Grid point 575 (181/219) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -20.393 10.253 15.597) 27.646 2.598 ( -14.492 0.328 -23.595) 27.692 3.011 ( -27.362 16.707 18.550) 37.039 3.380 ( -28.357 10.397 -19.424) 35.910 3.840 ( -11.289 -1.286 13.005) 17.269 4.020 ( -6.563 -4.913 -4.482) 9.343 4.453 ( -16.442 6.801 19.538) 26.426 4.595 ( -33.752 -5.160 0.829) 34.154 4.765 ( -35.141 -8.449 3.888) 36.351 5.070 ( -15.654 -1.518 -23.041) 27.897 5.799 ( -44.605 13.983 4.253) 46.939 5.888 ( -47.801 13.302 -2.057) 49.660 6.062 ( -7.525 -0.521 2.170) 7.848 6.194 ( -3.818 -4.460 -12.980) 14.246 8.002 ( -1.562 -7.863 14.682) 16.728 8.152 ( -14.045 -8.224 -3.615) 16.672 8.495 ( -28.219 -14.254 0.915) 31.628 8.609 ( -15.310 -10.026 -7.740) 19.870 9.246 ( -1.653 2.196 6.298) 6.872 9.358 ( -5.397 -0.229 -3.203) 6.280 9.504 ( -10.734 -2.177 0.096) 10.952 9.576 ( -7.027 1.635 -6.175) 9.497 10.003 ( 0.117 -11.809 4.448) 12.620 10.062 ( 2.836 -14.580 -0.894) 14.880 10.426 ( 2.260 8.610 7.546) 11.670 10.570 ( 4.766 8.045 -7.260) 11.838 11.182 ( -3.740 1.969 8.482) 9.476 11.347 ( -2.791 8.109 -6.856) 10.979 11.819 ( 0.046 -21.133 4.877) 21.688 11.913 ( 3.559 -20.106 -6.606) 21.461 12.306 ( 4.714 1.315 -1.898) 5.249 12.361 ( -1.610 3.362 -8.088) 8.906 12.836 ( 0.305 8.325 9.374) 12.541 13.016 ( -0.655 11.419 -9.371) 14.786 13.709 ( 3.381 1.578 7.597) 8.464 13.766 ( 1.896 1.666 2.137) 3.307 15.618 ( 12.973 6.540 12.656) 19.268 15.890 ( 16.393 11.418 -15.074) 25.027 17.048 ( 6.133 -3.703 -2.355) 7.542 17.122 ( 8.608 -6.678 -8.557) 13.854 19.319 ( 18.796 -11.276 13.737) 25.868 19.442 ( 15.763 -10.499 -0.135) 18.940 ======================= Grid point 576 (182/219) ======================= q-point: (-0.19 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -11.954 10.364 25.168) 29.728 2.243 ( -35.840 16.407 20.768) 44.553 2.368 ( -9.946 -0.498 -31.329) 32.874 2.673 ( -32.871 7.671 -24.075) 41.461 3.558 ( -8.508 21.917 33.351) 40.804 3.855 ( -13.932 -0.983 6.768) 15.520 3.982 ( -18.673 -1.188 -0.764) 18.727 4.210 ( -9.273 3.933 -5.181) 11.327 4.422 ( -5.608 -7.484 14.015) 16.849 4.844 ( -17.362 4.650 -10.835) 20.988 4.926 ( -32.540 6.335 -0.516) 33.155 5.057 ( -17.775 5.870 -25.555) 31.678 6.057 ( 0.676 -8.481 7.179) 11.132 6.221 ( 0.280 -11.100 -10.415) 15.224 7.641 ( -32.174 0.805 1.483) 32.218 7.700 ( -36.337 -5.961 -4.757) 37.129 8.208 ( -3.321 -11.700 21.987) 25.126 8.548 ( -1.173 -13.406 -12.923) 18.657 9.177 ( -3.525 1.198 3.684) 5.238 9.252 ( -5.274 0.813 -3.537) 6.402 9.334 ( -4.702 1.946 4.371) 6.709 9.464 ( -2.157 6.989 -8.180) 10.973 10.082 ( 1.777 -2.801 7.835) 8.508 10.201 ( 1.974 -13.988 -3.419) 14.534 10.390 ( 1.781 17.696 8.393) 19.666 10.596 ( 6.493 25.284 -12.968) 29.148 11.106 ( -3.219 -4.038 3.990) 6.526 11.208 ( -7.557 1.337 -6.718) 10.200 11.946 ( 0.319 -23.076 8.091) 24.455 12.123 ( 3.732 -22.512 -9.363) 24.665 12.387 ( 5.876 2.742 -0.841) 6.539 12.424 ( 6.340 0.449 -3.366) 7.193 12.759 ( -3.598 6.397 6.097) 9.542 12.922 ( -2.376 9.564 -10.304) 14.258 13.733 ( 0.541 2.169 6.312) 6.696 13.775 ( 0.504 2.722 2.672) 3.847 15.771 ( 6.280 5.472 13.745) 16.072 16.060 ( 7.582 9.941 -15.065) 19.578 17.158 ( 3.446 -1.163 2.394) 4.354 17.306 ( 5.225 -6.931 -11.155) 14.134 19.738 ( 13.443 -14.792 11.368) 22.994 19.810 ( 14.407 -13.753 4.467) 20.412 ======================= Grid point 577 (183/219) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.000 4.986 34.744) 35.100 1.662 ( 0.000 18.660 26.527) 32.433 2.162 ( 0.000 10.263 -25.586) 27.567 2.357 ( -0.000 -4.515 -37.745) 38.014 3.294 ( 0.000 36.634 50.604) 62.472 3.668 ( -0.000 -3.660 10.218) 10.854 3.834 ( -0.000 -5.350 -7.177) 8.952 4.097 ( 0.000 14.246 -26.964) 30.496 4.454 ( -0.000 -11.463 19.853) 22.925 4.526 ( 0.000 2.332 1.552) 2.801 4.554 ( 0.000 2.683 -1.321) 2.991 4.982 ( -0.000 -2.142 -33.810) 33.877 6.147 ( -0.000 -12.204 7.524) 14.337 6.306 ( -0.000 -11.756 -9.589) 15.170 7.187 ( 0.000 6.966 1.428) 7.111 7.216 ( 0.000 7.442 -1.529) 7.597 8.264 ( -0.000 -12.218 24.296) 27.195 8.633 ( -0.000 -15.547 -14.040) 20.948 9.136 ( -0.000 -0.491 2.721) 2.765 9.188 ( -0.000 -0.196 -2.579) 2.587 9.266 ( 0.000 7.588 5.254) 9.230 9.397 ( 0.000 7.516 -7.876) 10.887 10.052 ( 0.000 20.601 9.716) 22.777 10.267 ( 0.000 5.812 -8.692) 10.456 10.341 ( -0.000 -2.141 4.242) 4.752 10.477 ( 0.000 28.572 -13.239) 31.491 11.108 ( -0.000 -6.079 1.522) 6.267 11.138 ( -0.000 -5.930 -1.583) 6.138 12.092 ( -0.000 -21.597 9.496) 23.593 12.296 ( -0.000 -20.508 -10.279) 22.940 12.477 ( 0.000 0.905 1.057) 1.391 12.497 ( 0.000 0.885 -1.007) 1.341 12.658 ( 0.000 4.474 4.773) 6.542 12.839 ( 0.000 6.333 -11.899) 13.479 13.722 ( 0.000 1.955 5.964) 6.276 13.760 ( 0.000 3.223 2.832) 4.291 15.803 ( 0.000 4.363 13.345) 14.040 16.080 ( 0.000 8.114 -13.985) 16.168 17.195 ( 0.000 0.187 6.673) 6.675 17.397 ( -0.000 -5.790 -13.004) 14.235 19.960 ( -0.000 -13.695 12.893) 18.809 20.098 ( -0.000 -20.918 0.928) 20.938 ======================= Grid point 582 (184/219) ======================= q-point: ( 0.19 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( 5.035 -0.000 4.676) 6.871 3.368 ( 4.076 -0.000 -5.281) 6.671 3.768 ( -2.419 0.000 4.427) 5.045 3.861 ( -2.355 0.000 -5.318) 5.816 5.134 ( 20.266 -0.000 -0.881) 20.285 5.214 ( 22.523 -0.000 -8.801) 24.181 6.054 ( -1.996 0.000 5.262) 5.628 6.142 ( 0.795 -0.000 -3.614) 3.701 6.207 ( 11.663 -0.000 4.116) 12.368 6.273 ( 4.410 -0.000 -2.747) 5.196 7.740 ( 13.940 -0.000 3.155) 14.292 7.785 ( 12.029 -0.000 -2.389) 12.264 7.948 ( -0.515 0.000 9.892) 9.905 8.081 ( -7.190 0.000 -2.861) 7.738 8.233 ( -23.123 0.000 5.300) 23.722 8.380 ( -13.632 0.000 -9.210) 16.451 8.756 ( 19.154 -0.000 10.403) 21.797 8.960 ( 21.638 -0.000 -10.352) 23.987 9.778 ( 12.225 -0.000 8.095) 14.662 9.915 ( 13.451 -0.000 -5.606) 14.573 10.239 ( -0.511 0.000 2.644) 2.692 10.357 ( 5.506 -0.000 -9.177) 10.702 10.761 ( 17.473 -0.000 5.303) 18.260 10.875 ( 8.780 -0.000 -5.108) 10.158 11.109 ( 7.479 -0.000 1.611) 7.650 11.172 ( -5.425 0.000 -3.592) 6.506 11.300 ( -1.753 0.000 4.188) 4.540 11.385 ( 7.880 -0.000 -2.013) 8.133 11.772 ( 6.244 -0.000 9.774) 11.599 12.018 ( 13.988 -0.000 -13.177) 19.217 12.494 ( -8.135 0.000 17.028) 18.872 12.570 ( -4.638 0.000 4.378) 6.378 12.575 ( -0.913 0.000 4.446) 4.539 12.808 ( -8.735 0.000 -15.746) 18.007 13.344 ( 0.100 -0.000 3.115) 3.117 13.457 ( 1.515 -0.000 -8.028) 8.170 14.058 ( -8.403 0.000 12.328) 14.919 14.236 ( -9.430 0.000 -5.924) 11.136 16.352 ( -9.135 0.000 1.076) 9.198 16.440 ( -6.489 0.000 -8.875) 10.995 18.091 ( -18.729 0.000 15.086) 24.049 18.336 ( -18.590 0.000 -10.514) 21.357 ======================= Grid point 583 (185/219) ======================= q-point: ( 0.25 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.350 ( 2.969 -0.309 4.422) 5.335 3.435 ( 2.817 0.009 -4.352) 5.184 3.707 ( -3.258 0.362 4.447) 5.524 3.810 ( -2.446 0.501 -6.054) 6.549 5.466 ( 12.434 -0.020 0.867) 12.465 5.555 ( 10.831 0.042 -7.485) 13.166 6.001 ( -1.113 3.798 2.287) 4.571 6.065 ( -3.021 5.737 -3.713) 7.472 6.400 ( 4.721 -2.783 1.859) 5.787 6.411 ( 5.652 -4.732 0.525) 7.390 7.727 ( -15.040 4.936 1.414) 15.893 7.752 ( -12.350 4.403 -1.126) 13.160 7.876 ( -2.774 -2.762 4.171) 5.720 7.964 ( -0.959 -4.035 -5.263) 6.700 8.112 ( 7.637 -5.516 10.737) 14.284 8.318 ( 3.209 -2.916 -9.996) 10.896 9.093 ( 15.715 2.971 14.901) 21.860 9.335 ( 17.135 3.511 -10.328) 20.312 9.838 ( -5.110 -2.005 4.153) 6.884 9.922 ( -9.865 -0.815 -4.741) 10.975 10.347 ( 7.001 -0.899 5.963) 9.240 10.501 ( 5.755 -0.088 -10.160) 11.677 10.900 ( 1.037 3.402 0.301) 3.570 10.917 ( -0.335 1.141 -1.381) 1.822 11.198 ( 6.000 -0.182 5.734) 8.301 11.273 ( -0.452 0.010 8.492) 8.504 11.339 ( 8.816 1.489 -7.850) 11.898 11.456 ( 0.881 -2.122 -9.063) 9.350 11.962 ( 11.814 4.006 16.271) 20.503 12.163 ( -7.925 0.260 3.638) 8.724 12.331 ( 0.805 6.002 -6.243) 8.697 12.436 ( -7.051 -6.782 -9.123) 13.377 12.571 ( 0.529 -1.310 8.882) 8.993 12.669 ( -2.680 -1.121 -1.809) 3.422 13.427 ( 5.554 0.071 1.831) 5.849 13.506 ( 3.200 -0.407 -5.549) 6.419 13.962 ( -2.550 -0.541 8.886) 9.261 14.101 ( -4.912 -0.403 -5.398) 7.309 16.208 ( -5.027 0.907 3.477) 6.179 16.338 ( -3.904 0.173 -10.669) 11.362 17.749 ( -14.678 0.499 14.749) 20.814 17.985 ( -15.668 0.704 -10.115) 18.663 ======================= Grid point 584 (186/219) ======================= q-point: ( 0.31 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.393 ( 1.448 0.390 4.248) 4.505 3.477 ( 1.537 1.082 -4.161) 4.566 3.646 ( -2.877 -0.915 5.523) 6.295 3.765 ( -1.837 0.253 -6.459) 6.720 5.608 ( 2.414 0.943 -0.296) 2.608 5.644 ( -0.193 0.803 -2.963) 3.076 5.945 ( -3.717 3.681 0.436) 5.250 5.974 ( -4.065 3.722 -2.253) 5.954 6.434 ( -2.394 -2.186 2.366) 4.013 6.479 ( -1.596 -3.479 -2.937) 4.824 7.514 ( -3.212 0.722 3.140) 4.550 7.574 ( -2.232 0.812 -2.957) 3.793 7.826 ( -4.443 -3.662 5.183) 7.747 7.950 ( -2.555 -3.651 -8.062) 9.212 8.294 ( 6.536 -3.896 7.226) 10.494 8.419 ( 3.390 -3.481 -5.439) 7.293 9.304 ( 7.800 10.308 14.849) 19.688 9.512 ( 0.421 8.876 -7.532) 11.648 9.725 ( -6.408 -8.578 2.037) 10.899 9.783 ( -0.161 -4.893 -3.369) 5.943 10.385 ( -3.910 -1.713 2.027) 4.725 10.482 ( -7.523 -1.614 -8.143) 11.203 10.879 ( -1.056 3.762 2.012) 4.395 10.931 ( 1.419 2.452 -3.120) 4.214 11.187 ( -3.330 4.196 5.029) 7.348 11.271 ( -3.061 4.453 -2.541) 5.971 11.360 ( -1.414 -2.458 7.508) 8.026 11.533 ( -0.016 -7.683 -9.059) 11.878 11.901 ( -7.783 4.507 11.615) 14.690 12.132 ( -4.999 3.902 -11.266) 12.929 12.265 ( 8.112 -1.107 17.845) 19.634 12.554 ( 1.295 -2.270 5.832) 6.391 12.627 ( 9.149 0.537 -13.878) 16.631 12.654 ( 0.723 -1.235 -3.581) 3.856 13.501 ( 1.473 0.506 2.943) 3.330 13.583 ( 3.354 -2.078 -4.530) 6.008 13.936 ( -0.669 -0.202 6.153) 6.192 14.022 ( -3.888 -1.525 -2.918) 5.095 16.145 ( -0.511 1.822 4.050) 4.470 16.284 ( -1.134 0.315 -10.973) 11.036 17.551 ( -4.591 -0.446 12.895) 13.695 17.753 ( -6.880 -0.330 -8.390) 10.855 ======================= Grid point 585 (187/219) ======================= q-point: (-0.62 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( 0.065 1.439 3.268) 3.571 3.475 ( -0.436 3.337 -4.120) 5.320 3.613 ( -1.878 -4.118 6.507) 7.926 3.731 ( -1.859 -0.500 -5.486) 5.813 5.571 ( -4.791 2.669 -1.105) 5.594 5.585 ( -4.569 1.185 -1.968) 5.114 5.773 ( -11.454 2.931 1.878) 11.972 5.817 ( -10.521 2.764 -2.432) 11.146 6.386 ( -3.233 -4.746 1.024) 5.833 6.432 ( -4.148 -4.468 -4.122) 7.360 7.546 ( 2.935 -1.066 3.347) 4.577 7.599 ( 1.478 -0.790 -1.967) 2.584 7.757 ( -3.367 -3.461 7.535) 8.950 7.934 ( 0.146 -2.843 -11.120) 11.479 8.390 ( 0.923 -2.317 4.454) 5.104 8.458 ( -1.763 -2.544 -2.349) 3.886 9.276 ( -2.520 6.640 6.881) 9.889 9.360 ( -7.813 1.754 -3.224) 8.632 9.752 ( 1.015 -7.917 6.933) 10.572 9.842 ( 0.893 2.846 -1.329) 3.265 10.238 ( -10.601 0.558 -2.883) 11.000 10.297 ( -10.653 -2.122 -8.238) 13.633 10.798 ( -5.608 0.819 4.231) 7.072 10.885 ( -5.900 -0.336 -4.564) 7.467 11.091 ( -3.697 2.514 3.981) 5.986 11.140 ( -5.660 4.104 -1.195) 7.093 11.343 ( -2.754 -4.981 9.015) 10.662 11.516 ( -4.982 -6.296 -8.314) 11.558 11.741 ( -7.139 3.413 10.472) 13.126 11.942 ( -13.698 2.342 -8.963) 16.537 12.384 ( 3.192 0.912 16.914) 17.237 12.599 ( 2.524 -2.935 6.855) 7.872 12.726 ( 6.513 5.129 -8.963) 12.209 12.851 ( 13.950 -0.329 -13.719) 19.569 13.463 ( -4.607 1.068 5.140) 6.984 13.605 ( -3.334 1.494 -8.510) 9.261 13.954 ( 4.337 -1.668 7.244) 8.606 14.021 ( 3.819 -4.154 0.062) 5.643 16.166 ( 3.853 2.311 3.996) 6.013 16.307 ( 3.536 -0.624 -11.048) 11.617 17.573 ( 5.462 -1.882 10.702) 12.162 17.735 ( 3.799 -3.263 -6.423) 8.144 ======================= Grid point 586 (188/219) ======================= q-point: (-0.56 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.378 ( -1.790 1.214 1.643) 2.716 3.424 ( -2.261 4.170 -2.991) 5.607 3.615 ( -1.290 -6.023 5.277) 8.111 3.694 ( -2.342 -1.269 -2.910) 3.945 5.359 ( -14.461 6.306 2.827) 16.027 5.440 ( -11.911 2.853 -5.329) 13.357 5.516 ( -11.297 -0.250 1.057) 11.349 5.568 ( -10.820 0.422 -3.966) 11.532 6.362 ( -3.781 -6.446 -0.161) 7.475 6.381 ( -4.777 -5.822 -1.971) 7.785 7.489 ( -9.551 -3.165 3.352) 10.606 7.541 ( -9.328 -1.874 -1.785) 9.681 7.804 ( 5.299 0.445 9.813) 11.162 8.010 ( 4.865 -1.300 -11.697) 12.735 8.366 ( -3.559 -1.733 1.972) 4.423 8.393 ( -4.710 -2.394 -0.906) 5.360 9.189 ( -5.220 -0.726 2.143) 5.690 9.233 ( -4.943 -0.646 -2.337) 5.506 9.730 ( -8.467 2.689 5.409) 10.400 9.783 ( -2.840 -3.238 4.921) 6.540 9.993 ( -12.483 1.971 -2.202) 12.827 10.128 ( -7.066 -0.333 -10.324) 12.515 10.625 ( -14.695 -2.481 3.703) 15.356 10.691 ( -15.718 -4.191 -3.057) 16.552 10.988 ( -6.800 0.020 3.959) 7.869 11.015 ( -6.146 1.272 0.698) 6.315 11.312 ( -3.391 -4.355 6.121) 8.241 11.428 ( -6.195 -2.381 -4.281) 7.898 11.547 ( -14.143 0.146 2.076) 14.295 11.638 ( -8.684 -0.199 -5.705) 10.392 12.409 ( 0.323 1.036 12.950) 12.995 12.632 ( -0.892 1.378 -6.516) 6.720 12.841 ( 8.181 1.789 12.153) 14.758 13.147 ( 13.873 1.062 -14.054) 19.777 13.358 ( -3.318 1.581 2.459) 4.422 13.480 ( -4.494 4.708 -6.765) 9.388 14.172 ( 16.261 -1.092 5.897) 17.331 14.230 ( 14.815 -3.196 0.008) 15.156 16.263 ( 6.848 1.481 4.453) 8.301 16.420 ( 6.733 -1.711 -12.303) 14.129 17.759 ( 11.031 -3.746 10.788) 15.878 17.917 ( 10.769 -6.922 -6.051) 14.160 ======================= Grid point 587 (189/219) ======================= q-point: (-0.50 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( -5.637 2.069 0.580) 6.033 3.339 ( -4.409 2.955 -3.150) 6.172 3.627 ( -1.379 -6.409 3.747) 7.550 3.662 ( -1.701 -2.944 0.083) 3.401 4.979 ( -18.536 7.976 3.186) 20.429 5.067 ( -19.735 6.376 -5.466) 21.447 5.339 ( -10.684 -1.709 -0.745) 10.845 5.379 ( -10.165 -4.677 -4.100) 11.916 6.259 ( -11.074 -6.075 0.842) 12.660 6.287 ( -10.160 -7.728 -1.876) 12.902 7.220 ( -19.854 2.978 3.056) 20.308 7.258 ( -17.541 3.223 -0.789) 17.852 7.852 ( -0.530 1.430 11.714) 11.813 8.068 ( -0.447 -2.613 -10.054) 10.398 8.358 ( -0.736 -7.168 -0.069) 7.206 8.373 ( 1.906 -5.656 -2.096) 6.326 9.009 ( -13.225 5.109 2.979) 14.487 9.091 ( -12.069 4.440 -5.203) 13.872 9.544 ( -9.699 -5.575 5.026) 12.264 9.657 ( -12.496 -4.537 -6.335) 14.726 9.804 ( -5.090 0.857 10.812) 11.980 9.993 ( -8.933 1.482 -7.698) 11.885 10.196 ( -25.670 -5.793 5.466) 26.877 10.318 ( -23.577 -8.615 -6.967) 26.050 10.821 ( -10.470 -0.916 2.407) 10.783 10.845 ( -10.382 0.199 -0.011) 10.384 11.246 ( -4.122 -1.059 6.619) 7.869 11.341 ( -2.208 -3.985 7.325) 8.626 11.387 ( -3.042 -5.857 -5.174) 8.386 11.584 ( 0.028 -1.238 -13.741) 13.796 12.398 ( -0.550 1.068 11.656) 11.718 12.585 ( -1.464 2.602 -6.730) 7.363 12.981 ( 4.566 0.068 19.575) 20.101 13.289 ( 5.670 7.534 0.882) 9.470 13.356 ( 0.084 0.266 -8.289) 8.294 13.472 ( 7.454 2.406 -8.077) 11.251 14.585 ( 23.981 1.729 2.838) 24.210 14.622 ( 24.535 1.665 -1.001) 24.612 16.406 ( 7.662 -0.816 4.488) 8.917 16.575 ( 7.319 -2.465 -13.567) 15.611 18.038 ( 13.990 -6.316 12.315) 19.679 18.214 ( 13.777 -9.647 -6.493) 18.029 ======================= Grid point 588 (190/219) ======================= q-point: (-0.44 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( -11.556 5.357 1.693) 12.850 3.189 ( -9.506 2.776 -5.904) 11.530 3.633 ( -1.665 -5.277 5.133) 7.548 3.675 ( -0.027 -6.032 0.517) 6.054 4.554 ( -19.186 8.810 1.722) 21.182 4.631 ( -19.649 8.331 -5.565) 22.056 5.083 ( -16.245 -3.518 3.712) 17.031 5.205 ( -12.054 -8.035 -8.866) 16.984 5.972 ( -23.932 -9.942 3.009) 26.089 6.031 ( -23.267 -12.656 -2.950) 26.650 6.694 ( -24.837 14.257 7.980) 29.729 6.837 ( -19.253 11.872 -6.875) 23.641 7.805 ( -3.974 1.225 15.287) 15.842 8.041 ( -7.635 -2.630 -8.138) 11.464 8.188 ( -27.594 4.122 2.796) 28.040 8.293 ( -20.742 9.479 -8.734) 24.420 8.733 ( -3.167 -6.319 1.690) 7.268 8.781 ( -7.396 -2.420 -2.802) 8.271 9.350 ( -17.029 -14.211 4.048) 22.546 9.445 ( -13.765 -14.504 -5.643) 20.777 9.648 ( -11.467 -3.658 6.768) 13.808 9.729 ( -7.127 -1.493 0.612) 7.307 9.984 ( -4.681 -3.344 0.953) 5.831 10.069 ( -6.695 -6.485 -7.086) 11.708 10.589 ( -12.930 -1.892 2.682) 13.341 10.636 ( -10.073 -1.550 -2.361) 10.461 11.210 ( -1.187 -2.920 9.835) 10.327 11.382 ( 2.118 -6.156 9.331) 11.378 11.409 ( 0.500 -8.253 -10.950) 13.721 11.616 ( 2.387 0.583 -14.508) 14.715 12.370 ( -1.873 1.541 11.575) 11.827 12.548 ( -1.348 2.238 -6.026) 6.568 13.005 ( 1.032 6.089 16.101) 17.245 13.284 ( -0.397 8.390 -12.230) 14.836 13.457 ( 9.354 1.723 10.103) 13.876 13.614 ( 6.481 -0.190 -4.835) 8.088 15.033 ( 23.318 5.012 5.601) 24.500 15.157 ( 29.922 6.060 -7.344) 31.400 16.573 ( 7.764 -4.305 3.504) 9.544 16.733 ( 7.117 -2.986 -14.059) 16.038 18.382 ( 16.298 -8.370 13.525) 22.773 18.564 ( 15.181 -10.868 -6.015) 19.615 ======================= Grid point 589 (191/219) ======================= q-point: (-0.38 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -17.237 9.672 4.081) 20.182 2.932 ( -14.052 3.783 -10.995) 18.239 3.584 ( -6.923 2.204 11.555) 13.649 3.708 ( -1.772 -6.245 -0.975) 6.564 4.143 ( -16.947 3.949 -2.020) 17.518 4.184 ( -20.979 7.477 -6.297) 23.145 4.770 ( -17.056 -4.178 9.584) 20.005 4.981 ( -16.860 -8.207 -12.322) 22.438 5.436 ( -34.372 -12.394 1.617) 36.575 5.463 ( -40.535 -11.478 -0.514) 42.132 6.223 ( -12.683 13.215 10.263) 20.996 6.427 ( -14.023 13.613 -10.648) 22.256 7.167 ( -51.099 17.751 4.347) 54.269 7.253 ( -49.868 17.869 -4.899) 53.199 7.884 ( -1.503 -5.204 14.665) 15.634 8.129 ( -1.404 -4.542 -11.183) 12.151 8.697 ( -11.820 -9.234 0.917) 15.027 8.760 ( -8.516 -8.182 -5.034) 12.838 9.192 ( -5.625 -14.537 7.707) 17.389 9.329 ( -5.286 -17.803 -5.807) 19.458 9.533 ( -4.865 -4.396 6.614) 9.314 9.656 ( -4.014 -5.213 -5.485) 8.566 9.902 ( -6.385 -4.085 2.377) 7.944 9.960 ( -9.945 -4.213 -4.307) 11.628 10.428 ( -2.305 -2.595 5.622) 6.607 10.531 ( -0.808 -2.461 -5.161) 5.774 11.218 ( -0.491 -3.997 10.455) 11.203 11.452 ( 0.768 -6.276 -7.218) 9.595 11.507 ( 3.345 -9.378 -0.069) 9.957 11.644 ( 0.182 -0.104 -6.538) 6.541 12.314 ( -1.456 2.643 7.837) 8.398 12.488 ( -3.264 3.009 -8.686) 9.755 12.983 ( 1.792 9.828 13.702) 16.957 13.222 ( -0.149 9.905 -10.913) 14.738 13.624 ( 7.941 1.796 9.458) 12.479 13.722 ( 4.317 0.171 -0.188) 4.324 15.424 ( 19.329 6.926 10.966) 23.277 15.670 ( 25.656 9.189 -14.260) 30.757 16.766 ( 7.980 -7.888 1.361) 11.303 16.893 ( 7.265 -3.221 -13.132) 15.349 18.775 ( 18.017 -9.150 13.805) 24.472 18.937 ( 15.931 -10.771 -3.853) 19.613 ======================= Grid point 590 (192/219) ======================= q-point: (-0.31 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -17.493 14.094 8.192) 23.911 2.623 ( -13.936 3.942 -18.429) 23.438 3.201 ( -27.080 14.504 15.097) 34.229 3.481 ( -27.366 6.133 -13.477) 31.115 3.812 ( -9.409 -2.108 7.583) 12.267 3.946 ( -6.352 -6.921 -4.856) 10.575 4.461 ( -18.998 -4.994 8.369) 21.352 4.542 ( -28.741 -7.899 -0.371) 29.809 4.721 ( -31.059 2.252 12.723) 33.640 5.022 ( -12.431 -6.236 -17.615) 22.443 5.914 ( -33.647 3.345 7.507) 34.637 6.015 ( -46.553 6.194 -1.478) 46.986 6.072 ( -16.872 9.153 5.460) 19.956 6.313 ( -17.537 22.338 -18.920) 34.124 7.912 ( -1.308 -6.741 14.201) 15.774 8.079 ( -10.572 -4.187 -5.250) 12.524 8.360 ( -25.710 -8.351 3.384) 27.244 8.504 ( -15.885 -7.469 -9.126) 19.784 9.228 ( -0.246 -6.355 7.381) 9.743 9.341 ( -4.196 -3.126 -1.242) 5.378 9.457 ( -7.752 -6.045 1.166) 9.899 9.574 ( -5.130 -2.873 -9.923) 11.534 9.828 ( -3.842 -13.510 4.471) 14.740 9.885 ( -0.677 -14.058 -1.231) 14.128 10.499 ( 7.469 2.708 6.454) 10.236 10.612 ( 7.121 -0.325 -5.249) 8.853 11.205 ( -3.364 -0.058 11.478) 11.961 11.453 ( -1.938 6.123 -11.542) 13.208 11.597 ( -1.884 -12.911 5.398) 14.120 11.682 ( 1.182 -16.039 -5.613) 17.034 12.327 ( 4.523 2.237 0.060) 5.046 12.409 ( -1.163 4.359 -7.966) 9.154 12.947 ( 0.158 10.137 11.665) 15.455 13.154 ( -0.632 11.182 -9.802) 14.884 13.734 ( 4.364 2.736 7.128) 8.795 13.783 ( 2.420 1.190 2.409) 3.616 15.699 ( 12.645 6.834 15.010) 20.782 16.027 ( 16.250 10.920 -18.314) 26.809 16.969 ( 6.858 -9.086 -0.927) 11.421 17.061 ( 7.583 -3.632 -11.170) 13.981 19.190 ( 17.688 -10.067 13.403) 24.369 19.313 ( 15.340 -10.651 -0.341) 18.678 ======================= Grid point 591 (193/219) ======================= q-point: (-0.25 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -10.252 16.846 14.079) 24.230 2.378 ( -7.914 2.750 -25.996) 27.313 2.449 ( -34.649 17.469 15.615) 41.828 2.775 ( -33.319 9.212 -17.871) 38.915 3.673 ( -6.597 -0.253 13.068) 14.641 3.827 ( -9.670 -5.306 -1.903) 11.193 4.020 ( -18.807 3.211 12.191) 22.641 4.254 ( -5.186 -3.100 -8.606) 10.516 4.372 ( -4.844 6.667 28.592) 29.756 4.858 ( -12.785 -1.508 -16.673) 21.065 5.013 ( -36.919 8.538 2.906) 38.004 5.154 ( -25.940 7.225 -14.081) 30.387 5.987 ( -0.939 -3.401 3.121) 4.710 6.131 ( -1.579 0.488 -13.899) 13.997 7.663 ( -25.862 1.781 -0.047) 25.923 7.680 ( -25.753 3.290 -1.510) 26.006 8.082 ( -3.006 -9.496 20.503) 22.795 8.405 ( -2.026 -10.518 -12.947) 16.803 9.181 ( -4.981 -0.361 3.972) 6.381 9.254 ( -5.834 -0.410 -3.046) 6.594 9.332 ( -3.032 -2.553 7.014) 8.056 9.538 ( -0.095 3.879 -12.948) 13.517 9.926 ( 1.181 -18.523 6.009) 19.509 9.997 ( 1.102 -18.085 -1.085) 18.151 10.626 ( 8.899 14.993 9.949) 20.074 10.787 ( 11.581 5.518 -6.641) 14.445 11.080 ( -7.152 0.730 8.152) 10.869 11.288 ( -9.350 11.718 -12.584) 19.573 11.665 ( -1.126 -22.118 7.663) 23.434 11.839 ( 1.899 -23.332 -10.623) 25.706 12.422 ( 4.801 2.709 -1.615) 5.744 12.438 ( 6.325 1.803 -2.283) 6.962 12.856 ( -3.290 9.631 8.720) 13.402 13.053 ( -2.413 11.912 -11.401) 16.664 13.765 ( 0.936 3.231 6.302) 7.144 13.807 ( 1.191 2.617 2.589) 3.869 15.842 ( 5.913 6.101 16.550) 18.604 16.185 ( 6.854 10.583 -17.832) 21.840 17.124 ( 4.045 -5.427 -1.326) 6.897 17.222 ( 5.207 -5.973 -10.321) 13.012 19.565 ( 12.146 -13.310 12.536) 21.951 19.653 ( 11.512 -12.338 3.188) 17.173 ======================= Grid point 592 (194/219) ======================= q-point: (-0.19 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 0.000 14.879 21.560) 26.195 1.907 ( 0.000 21.579 20.152) 29.526 2.302 ( 0.000 12.577 -20.697) 24.219 2.314 ( -0.000 -1.938 -32.736) 32.793 3.618 ( -0.000 -4.673 8.690) 9.867 3.717 ( 0.000 29.443 37.370) 47.576 3.759 ( -0.000 -6.902 -6.178) 9.263 4.246 ( 0.000 9.677 -11.593) 15.101 4.338 ( -0.000 -6.546 22.256) 23.198 4.557 ( 0.000 2.745 1.702) 3.230 4.588 ( 0.000 2.956 -1.517) 3.322 4.980 ( 0.000 1.718 -36.177) 36.218 6.021 ( -0.000 -7.685 4.044) 8.684 6.159 ( -0.000 -10.533 -11.027) 15.249 7.287 ( 0.000 9.581 1.746) 9.739 7.323 ( 0.000 10.192 -1.889) 10.366 8.128 ( -0.000 -10.442 21.841) 24.209 8.463 ( -0.000 -12.599 -13.064) 18.149 9.129 ( -0.000 -0.727 2.956) 3.044 9.185 ( -0.000 -0.303 -2.789) 2.805 9.317 ( 0.000 1.117 6.519) 6.614 9.500 ( 0.000 8.108 -11.285) 13.896 10.041 ( -0.000 -14.374 6.129) 15.626 10.120 ( -0.000 -17.999 -1.524) 18.064 10.580 ( 0.000 29.271 13.893) 32.401 10.906 ( 0.000 33.483 -20.121) 39.064 11.022 ( -0.000 -8.035 1.642) 8.201 11.055 ( -0.000 -7.809 -1.692) 7.990 11.803 ( -0.000 -25.144 9.287) 26.805 12.012 ( -0.000 -25.520 -11.959) 28.184 12.488 ( 0.000 0.950 1.041) 1.410 12.508 ( 0.000 0.929 -0.997) 1.363 12.743 ( 0.000 9.332 6.727) 11.503 12.947 ( 0.000 11.244 -13.312) 17.425 13.751 ( 0.000 3.012 6.508) 7.171 13.800 ( 0.000 3.306 2.260) 4.004 15.864 ( 0.000 5.615 16.149) 17.098 16.190 ( 0.000 9.802 -15.968) 18.737 17.186 ( -0.000 -2.089 0.781) 2.231 17.316 ( -0.000 -7.159 -10.870) 13.016 19.780 ( -0.000 -15.479 12.195) 19.706 19.871 ( -0.000 -16.464 4.071) 16.960 ======================= Grid point 599 (195/219) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( 1.826 -0.000 4.708) 5.050 3.483 ( 1.926 -0.000 -3.944) 4.389 3.640 ( -3.491 0.000 5.336) 6.376 3.766 ( -2.112 0.000 -7.188) 7.492 5.614 ( 2.759 -0.000 -0.122) 2.761 5.649 ( -0.082 0.000 -2.709) 2.710 5.968 ( -4.290 0.000 0.110) 4.291 5.999 ( -5.143 0.000 -2.581) 5.754 6.421 ( -2.323 0.000 2.335) 3.294 6.456 ( -1.046 0.000 -1.870) 2.143 7.519 ( -4.145 0.000 3.063) 5.154 7.580 ( -3.256 0.000 -3.169) 4.544 7.800 ( -4.317 0.000 5.051) 6.645 7.925 ( -1.998 0.000 -8.325) 8.561 8.272 ( 7.585 -0.000 7.287) 10.518 8.398 ( 4.014 -0.000 -5.633) 6.917 9.381 ( 10.690 -0.000 15.850) 19.118 9.564 ( -3.451 0.000 -3.709) 5.066 9.675 ( -11.565 0.000 -0.039) 11.565 9.738 ( 5.109 -0.000 -5.984) 7.868 10.374 ( -3.451 0.000 2.232) 4.110 10.472 ( -7.590 0.000 -8.112) 11.109 10.903 ( -1.936 0.000 1.635) 2.534 10.945 ( 0.596 -0.000 -2.463) 2.534 11.220 ( -4.194 0.000 6.142) 7.437 11.282 ( 0.696 -0.000 3.995) 4.055 11.368 ( -6.445 0.000 -1.794) 6.690 11.471 ( 2.093 -0.000 -8.298) 8.558 11.930 ( -9.532 0.000 11.484) 14.924 12.156 ( -6.475 0.000 -11.074) 12.828 12.257 ( 10.225 -0.000 18.559) 21.189 12.538 ( 2.138 -0.000 6.353) 6.703 12.632 ( 9.528 -0.000 -16.660) 19.192 12.644 ( 1.260 -0.000 -1.385) 1.872 13.505 ( 1.570 -0.000 2.034) 2.569 13.569 ( 3.507 -0.000 -3.447) 4.917 13.935 ( -0.277 0.000 5.573) 5.580 14.012 ( -4.660 0.000 -2.726) 5.399 16.157 ( -0.443 0.000 3.553) 3.581 16.286 ( -1.318 0.000 -10.491) 10.573 17.548 ( -4.960 0.000 12.938) 13.856 17.751 ( -7.466 0.000 -8.423) 11.255 ======================= Grid point 600 (196/219) ======================= q-point: (-0.69 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( 0.908 1.166 4.352) 4.596 3.506 ( 0.564 1.439 -4.250) 4.522 3.574 ( -3.572 -1.968 7.380) 8.432 3.723 ( -2.538 -0.513 -7.701) 8.125 5.594 ( -4.263 1.107 -1.181) 4.559 5.598 ( -4.153 0.611 -1.527) 4.466 5.800 ( -12.294 1.346 2.234) 12.568 5.841 ( -10.933 1.142 -1.899) 11.155 6.346 ( -4.160 -1.794 1.099) 4.662 6.392 ( -4.499 -1.896 -4.118) 6.387 7.534 ( 1.330 -0.739 2.929) 3.301 7.589 ( 0.632 -0.509 -2.816) 2.931 7.728 ( -1.266 -1.193 7.867) 8.057 7.909 ( 1.383 -1.106 -11.388) 11.525 8.373 ( 1.942 -0.684 4.371) 4.831 8.438 ( -0.782 -0.774 -2.265) 2.518 9.334 ( -9.310 2.638 2.326) 9.952 9.370 ( -10.589 0.384 -2.196) 10.821 9.679 ( 5.990 -3.524 14.602) 16.171 9.874 ( 3.080 1.693 -4.520) 5.725 10.242 ( -9.509 0.094 -3.745) 10.220 10.279 ( -10.396 -0.856 -7.774) 13.009 10.807 ( -7.304 0.463 3.649) 8.179 10.883 ( -7.208 -0.098 -3.950) 8.220 11.117 ( -5.224 1.455 5.053) 7.413 11.182 ( -7.620 2.204 -1.623) 8.096 11.298 ( -2.059 -2.235 7.482) 8.076 11.456 ( -3.748 -3.033 -8.392) 9.678 11.772 ( -7.412 1.458 10.487) 12.924 11.960 ( -14.683 0.771 -8.030) 16.753 12.392 ( 3.133 0.365 17.272) 17.558 12.572 ( 2.838 -1.257 7.671) 8.275 12.785 ( 9.052 4.584 -11.482) 15.322 12.832 ( 12.688 -2.819 -12.408) 17.969 13.474 ( -4.331 0.496 4.980) 6.618 13.620 ( -0.490 0.712 -8.858) 8.900 13.943 ( 2.097 -0.050 5.703) 6.077 13.978 ( 4.311 -2.504 1.965) 5.359 16.189 ( 3.916 1.191 2.516) 4.805 16.299 ( 2.807 -0.458 -9.422) 9.842 17.558 ( 5.175 -0.631 9.941) 11.224 17.707 ( 2.549 -1.229 -5.842) 6.491 ======================= Grid point 601 (197/219) ======================= q-point: (-0.62 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.405 ( -1.578 3.173 3.740) 5.152 3.473 ( -2.170 3.156 -2.688) 4.679 3.545 ( -1.638 -5.029 5.990) 7.991 3.672 ( -3.407 -2.257 -6.322) 7.528 5.431 ( -12.820 5.198 1.270) 13.892 5.463 ( -9.841 1.159 -2.430) 10.203 5.516 ( -13.287 -0.248 1.692) 13.396 5.579 ( -12.834 1.066 -3.988) 13.481 6.295 ( -3.653 -4.217 0.080) 5.580 6.322 ( -4.956 -3.727 -2.664) 6.749 7.455 ( -8.534 -2.210 3.470) 9.474 7.521 ( -8.064 -1.324 -3.220) 8.784 7.811 ( 6.269 0.500 8.616) 10.667 7.998 ( 5.043 -0.681 -11.112) 12.222 8.350 ( -4.202 -0.824 2.030) 4.739 8.374 ( -5.546 -0.923 -0.374) 5.635 9.163 ( -7.565 -2.532 1.311) 8.084 9.208 ( -6.418 -2.533 -3.292) 7.645 9.765 ( 0.450 0.292 10.977) 10.990 9.777 ( -9.442 3.239 5.362) 11.331 10.013 ( -12.648 1.278 -5.462) 13.836 10.124 ( -5.930 -0.358 -10.770) 12.299 10.601 ( -15.691 -1.393 2.607) 15.967 10.650 ( -18.076 -2.499 -2.230) 18.383 10.991 ( -7.468 0.305 4.676) 8.817 11.031 ( -7.090 1.194 0.250) 7.195 11.264 ( -2.911 -3.121 5.397) 6.881 11.385 ( -5.051 -3.404 -6.508) 8.914 11.570 ( -17.210 2.432 3.193) 17.672 11.637 ( -8.052 -0.190 -3.555) 8.804 12.421 ( 0.463 0.818 13.484) 13.517 12.640 ( 1.433 0.065 -2.945) 3.276 12.864 ( 4.247 1.808 6.452) 7.933 13.148 ( 14.849 -0.492 -14.820) 20.985 13.377 ( -3.224 1.444 5.500) 6.537 13.534 ( -3.611 3.728 -7.404) 9.042 14.160 ( 17.765 -0.732 4.257) 18.283 14.191 ( 16.223 -2.955 1.203) 16.534 16.285 ( 6.489 2.006 2.262) 7.159 16.397 ( 5.889 -1.993 -9.698) 11.520 17.728 ( 10.693 -1.443 8.519) 13.747 17.848 ( 9.425 -4.365 -4.234) 11.217 ======================= Grid point 602 (198/219) ======================= q-point: (-0.56 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.321 ( -5.308 1.688 3.150) 6.398 3.388 ( -4.383 4.576 -3.742) 7.359 3.552 ( -1.097 -5.618 4.474) 7.265 3.623 ( -3.072 -3.735 -2.750) 5.563 5.069 ( -18.268 6.434 3.013) 19.601 5.132 ( -18.649 4.489 -3.839) 19.562 5.320 ( -10.207 -1.877 -1.406) 10.473 5.345 ( -12.664 -0.916 -3.449) 13.157 6.193 ( -11.496 -4.630 -0.223) 12.396 6.199 ( -11.241 -6.251 -0.774) 12.885 7.257 ( -12.414 2.835 3.049) 13.093 7.299 ( -13.442 3.406 -1.335) 13.931 7.875 ( -0.056 2.242 8.751) 9.034 8.041 ( -1.814 -1.960 -7.462) 7.925 8.274 ( -4.440 -6.345 0.697) 7.776 8.305 ( -0.751 -5.186 -3.452) 6.274 9.030 ( -9.102 -1.004 2.276) 9.435 9.103 ( -8.186 -1.701 -5.015) 9.749 9.524 ( -12.837 1.794 5.701) 14.160 9.648 ( -15.386 2.468 -6.337) 16.822 9.812 ( -5.364 0.290 11.084) 12.317 10.007 ( -9.048 0.775 -8.019) 12.115 10.129 ( -28.324 -4.952 3.963) 29.025 10.214 ( -26.115 -8.365 -4.888) 27.854 10.816 ( -10.463 -0.086 2.871) 10.850 10.853 ( -10.512 0.877 -0.902) 10.587 11.218 ( -4.247 -3.165 4.309) 6.828 11.313 ( -4.095 -1.000 9.671) 10.550 11.324 ( -3.833 -4.258 -3.937) 6.951 11.580 ( 0.678 0.248 -14.597) 14.615 12.413 ( -0.325 1.247 11.830) 11.900 12.613 ( -1.753 1.938 -8.053) 8.467 12.975 ( 5.915 -0.715 20.691) 21.532 13.353 ( 3.511 0.050 -16.878) 17.240 13.370 ( 5.961 4.964 7.579) 10.845 13.507 ( 3.781 2.994 -5.094) 7.015 14.598 ( 25.285 0.518 2.457) 25.409 14.636 ( 27.171 0.727 -1.864) 27.244 16.408 ( 6.706 1.132 2.676) 7.309 16.538 ( 6.471 -3.473 -11.258) 13.441 17.981 ( 13.517 -3.030 9.514) 16.805 18.109 ( 13.020 -7.571 -4.189) 15.633 ======================= Grid point 603 (199/219) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( -9.928 2.810 1.965) 10.504 3.235 ( -8.583 4.609 -5.274) 11.079 3.562 ( -1.359 -5.736 4.369) 7.337 3.609 ( -0.933 -5.130 -0.463) 5.234 4.656 ( -19.346 7.520 2.620) 20.921 4.722 ( -19.230 6.841 -4.404) 20.880 5.054 ( -17.014 -1.495 0.592) 17.090 5.118 ( -13.065 -6.269 -6.203) 15.763 5.866 ( -25.877 -7.437 1.314) 26.957 5.893 ( -25.504 -9.875 -1.450) 27.387 6.879 ( -18.366 15.861 6.438) 25.107 6.986 ( -13.936 12.254 -4.445) 19.083 7.814 ( -3.447 0.968 11.982) 12.506 7.998 ( -5.012 -3.942 -6.132) 8.846 8.193 ( -15.932 -3.944 4.362) 16.983 8.339 ( -6.681 -2.663 -10.525) 12.748 8.714 ( -18.870 3.542 2.701) 19.389 8.788 ( -18.840 3.497 -4.660) 19.720 9.190 ( -21.586 -11.527 3.714) 24.751 9.278 ( -19.828 -12.284 -5.305) 23.920 9.599 ( -11.679 -4.780 7.657) 14.761 9.702 ( -9.374 -3.328 -0.520) 9.961 9.943 ( -3.152 -3.359 -0.338) 4.618 9.996 ( -4.367 -4.926 -4.244) 7.833 10.575 ( -13.375 -0.567 2.896) 13.696 10.628 ( -10.757 0.044 -2.635) 11.075 11.156 ( -3.844 -5.186 6.438) 9.117 11.307 ( -1.963 -7.385 -8.990) 11.799 11.341 ( 4.232 -1.671 12.290) 13.106 11.632 ( 4.303 1.448 -16.824) 17.426 12.393 ( -0.933 2.109 11.692) 11.918 12.574 ( -1.335 1.997 -6.412) 6.847 13.064 ( 3.969 3.729 18.760) 19.534 13.362 ( 0.029 4.556 -11.839) 12.685 13.497 ( 9.392 4.549 7.671) 12.952 13.612 ( 6.026 -0.222 -3.259) 6.854 15.091 ( 25.262 4.608 4.777) 26.119 15.211 ( 30.699 2.886 -7.696) 31.780 16.536 ( 6.284 -1.632 3.103) 7.196 16.689 ( 6.484 -4.307 -13.503) 15.586 18.299 ( 16.198 -5.235 11.278) 20.420 18.441 ( 15.202 -9.370 -4.034) 18.307 ======================= Grid point 604 (200/219) ======================= q-point: (-0.44 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( -14.701 7.553 2.064) 16.656 2.993 ( -12.481 6.091 -8.247) 16.152 3.562 ( -2.753 -4.512 6.837) 8.642 3.633 ( -0.956 -6.068 -0.704) 6.183 4.209 ( -21.215 6.811 1.401) 22.326 4.280 ( -21.925 7.551 -5.746) 23.891 4.722 ( -17.169 -3.534 6.261) 18.614 4.875 ( -17.895 -8.963 -9.481) 22.146 5.298 ( -33.420 -10.367 0.476) 34.994 5.323 ( -36.711 -11.203 -1.554) 38.414 6.424 ( -15.947 19.066 10.391) 26.941 6.604 ( -17.021 15.182 -8.262) 24.259 7.374 ( -49.294 16.826 5.088) 52.335 7.454 ( -43.243 15.637 -3.307) 46.102 7.833 ( -3.039 -3.205 14.046) 14.724 8.092 ( -3.352 -1.668 -13.040) 13.567 8.590 ( -8.750 -8.958 1.548) 12.617 8.669 ( -5.806 -7.263 -6.298) 11.230 8.974 ( -8.201 -20.315 5.937) 22.698 9.075 ( -8.199 -22.539 -4.098) 24.332 9.497 ( -4.202 -2.503 6.115) 7.830 9.596 ( -4.688 -4.778 -3.339) 7.480 9.862 ( -7.902 -2.661 1.055) 8.405 9.915 ( -9.777 -3.412 -4.640) 11.347 10.397 ( -2.092 -2.315 5.878) 6.655 10.501 ( -1.509 -2.384 -4.929) 5.679 11.131 ( -3.059 -9.009 7.424) 12.068 11.329 ( -1.650 -11.632 -12.798) 17.373 11.451 ( 5.203 -0.737 11.829) 12.944 11.695 ( 3.099 5.392 -12.402) 13.874 12.352 ( -0.789 3.620 9.294) 10.005 12.523 ( -2.511 2.677 -7.295) 8.167 13.096 ( 3.047 8.663 14.797) 17.415 13.323 ( -0.124 6.844 -9.015) 11.319 13.657 ( 8.713 3.661 6.970) 11.743 13.721 ( 4.706 -0.137 0.849) 4.784 15.507 ( 19.775 6.890 10.601) 23.472 15.759 ( 26.064 5.102 -15.032) 30.518 16.683 ( 6.475 -5.476 3.031) 9.006 16.848 ( 7.147 -4.224 -15.271) 17.382 18.679 ( 18.336 -6.731 12.283) 23.073 18.813 ( 16.435 -9.709 -2.435) 19.243 ======================= Grid point 605 (201/219) ======================= q-point: (-0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -14.875 13.130 3.367) 20.124 2.694 ( -12.647 7.874 -13.175) 19.888 3.350 ( -23.200 9.794 10.974) 27.470 3.524 ( -19.555 1.164 -6.026) 20.495 3.808 ( -15.534 1.628 0.571) 15.629 3.868 ( -9.123 -5.349 -3.799) 11.238 4.377 ( -26.573 -8.776 4.003) 28.269 4.415 ( -27.508 -11.172 0.383) 29.693 4.728 ( -21.347 -3.157 8.890) 23.338 4.934 ( -10.438 -7.902 -13.424) 18.751 5.948 ( -35.802 3.147 4.752) 36.253 6.020 ( -38.210 0.878 -2.993) 38.337 6.340 ( -29.004 28.959 12.784) 42.934 6.632 ( -18.265 29.329 -16.320) 38.212 7.842 ( -0.614 -5.028 14.782) 15.626 8.043 ( -6.590 -2.048 -7.338) 10.073 8.290 ( -22.590 -3.380 3.347) 23.085 8.428 ( -16.636 -5.128 -9.353) 19.762 9.074 ( 1.945 -19.243 7.930) 20.903 9.212 ( 2.852 -20.865 -4.526) 21.540 9.389 ( -8.399 -2.913 5.755) 10.590 9.519 ( -7.936 -4.599 -7.680) 11.963 9.718 ( -7.587 -6.955 1.765) 10.443 9.756 ( -3.285 -5.738 -2.240) 6.981 10.498 ( 8.422 -2.142 4.727) 9.892 10.583 ( 6.714 -3.843 -3.955) 8.689 11.137 ( -2.790 -10.636 9.108) 14.278 11.372 ( -2.544 -14.085 -13.287) 19.530 11.521 ( 0.730 -1.942 7.237) 7.528 11.669 ( -0.555 9.777 -5.074) 11.029 12.359 ( 3.950 3.032 2.348) 5.506 12.459 ( -1.031 3.856 -6.966) 8.029 13.075 ( 0.519 10.806 12.838) 16.789 13.276 ( -0.204 8.787 -8.050) 11.919 13.777 ( 5.348 4.416 5.128) 8.626 13.795 ( 3.160 0.834 3.570) 4.840 15.780 ( 12.087 6.564 15.977) 21.082 16.142 ( 16.125 7.703 -20.882) 27.485 16.854 ( 6.168 -9.303 2.862) 11.523 17.021 ( 7.782 -3.222 -15.786) 17.893 19.082 ( 17.440 -7.717 12.367) 22.730 19.191 ( 15.531 -9.519 0.342) 18.220 ======================= Grid point 606 (202/219) ======================= q-point: (-0.31 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -8.661 17.576 5.545) 20.364 2.438 ( -7.629 7.663 -18.875) 21.753 2.660 ( -31.642 17.235 11.127) 37.710 2.890 ( -31.264 9.747 -12.490) 35.049 3.641 ( -8.535 -3.594 6.938) 11.572 3.745 ( -9.956 -7.714 -3.328) 13.027 3.984 ( -13.500 -8.006 9.508) 18.351 4.135 ( -6.414 -12.871 -4.413) 15.042 4.508 ( -2.605 8.360 18.397) 20.374 4.823 ( -8.755 -4.265 -14.862) 17.768 5.101 ( -37.783 4.084 5.327) 38.374 5.207 ( -31.061 2.374 -5.661) 31.662 6.008 ( -2.683 11.328 9.667) 15.132 6.290 ( -3.630 24.004 -19.466) 31.117 7.701 ( -18.043 4.507 2.227) 18.730 7.747 ( -19.129 6.922 -2.761) 20.530 7.978 ( -4.222 -7.648 18.737) 20.673 8.291 ( -2.828 -8.780 -13.493) 16.345 9.164 ( -3.332 -3.877 5.282) 7.351 9.231 ( -3.218 -5.161 2.635) 6.628 9.274 ( -5.934 -5.398 2.860) 8.517 9.496 ( 0.566 -14.643 -14.139) 20.363 9.722 ( 0.185 -11.593 5.979) 13.045 9.797 ( 0.468 -13.300 -2.102) 13.473 10.702 ( 10.701 -0.771 4.770) 11.741 10.777 ( 9.581 -4.804 -3.162) 11.174 11.103 ( -6.048 -1.285 11.724) 13.255 11.353 ( -6.602 -8.661 -8.621) 13.889 11.522 ( -1.500 1.326 -1.660) 2.601 11.618 ( -0.480 -6.892 -5.901) 9.086 12.447 ( 4.973 1.653 -0.758) 5.295 12.467 ( 3.929 2.601 -2.271) 5.231 12.985 ( -2.435 11.646 11.004) 16.206 13.197 ( -1.590 11.567 -10.458) 15.675 13.809 ( 1.177 3.726 5.692) 6.904 13.842 ( 2.263 3.509 2.797) 5.026 15.914 ( 5.464 5.707 18.458) 20.078 16.305 ( 6.217 9.032 -21.003) 23.693 17.023 ( 4.375 -10.384 1.082) 11.320 17.173 ( 5.261 -2.718 -14.939) 16.069 19.426 ( 11.131 -9.868 12.354) 19.336 19.516 ( 10.650 -10.320 2.766) 15.086 ======================= Grid point 607 (203/219) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 0.000 19.289 9.078) 21.318 2.167 ( 0.000 21.349 14.411) 25.758 2.325 ( 0.000 4.288 -24.001) 24.381 2.456 ( 0.000 12.885 -15.406) 20.085 3.558 ( -0.000 -5.137 6.754) 8.486 3.670 ( -0.000 -7.831 -4.952) 9.265 3.897 ( 0.000 1.159 19.989) 20.022 4.189 ( -0.000 -12.222 -7.204) 14.188 4.478 ( 0.000 20.187 25.754) 32.723 4.590 ( 0.000 2.661 1.763) 3.192 4.623 ( 0.000 2.720 -1.614) 3.163 4.987 ( -0.000 -2.130 -23.870) 23.965 5.964 ( -0.000 -0.992 4.223) 4.338 6.150 ( 0.000 12.209 -16.843) 20.803 7.413 ( 0.000 11.077 2.106) 11.276 7.456 ( 0.000 11.712 -2.307) 11.937 8.010 ( -0.000 -9.212 20.116) 22.125 8.328 ( -0.000 -10.091 -13.162) 16.585 9.119 ( -0.000 -0.937 3.268) 3.399 9.181 ( -0.000 -0.410 -3.066) 3.093 9.293 ( -0.000 -5.798 10.109) 11.654 9.554 ( -0.000 -1.534 -16.262) 16.334 9.824 ( -0.000 -18.889 7.212) 20.219 9.899 ( -0.000 -17.575 -0.978) 17.602 10.894 ( 0.000 20.453 16.049) 25.998 10.919 ( -0.000 -8.928 1.813) 9.110 10.955 ( -0.000 -8.627 -1.846) 8.822 11.225 ( 0.000 16.133 -17.372) 23.708 11.536 ( -0.000 -14.826 7.349) 16.548 11.718 ( -0.000 -21.507 -11.302) 24.296 12.499 ( 0.000 0.774 1.027) 1.286 12.518 ( 0.000 0.757 -0.987) 1.244 12.874 ( 0.000 12.253 8.991) 15.198 13.097 ( 0.000 13.180 -13.083) 18.571 13.795 ( 0.000 4.039 6.274) 7.462 13.840 ( 0.000 3.652 2.157) 4.241 15.933 ( 0.000 5.618 18.526) 19.360 16.307 ( 0.000 9.456 -18.678) 20.935 17.126 ( -0.000 -8.303 -0.922) 8.354 17.246 ( -0.000 -3.830 -12.713) 13.277 19.609 ( -0.000 -12.538 12.567) 17.752 19.699 ( -0.000 -12.436 3.624) 12.954 ======================= Grid point 616 (204/219) ======================= q-point: (-0.69 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.441 ( 0.487 -0.000 3.375) 3.410 3.471 ( -5.255 0.000 5.972) 7.954 3.523 ( -0.182 0.000 -0.551) 0.581 3.654 ( -4.266 0.000 -8.237) 9.277 5.469 ( -10.356 0.000 -1.248) 10.431 5.470 ( -10.304 0.000 -1.745) 10.451 5.510 ( -14.736 0.000 4.051) 15.283 5.586 ( -13.571 0.000 -3.608) 14.042 6.269 ( -3.737 0.000 0.163) 3.740 6.298 ( -4.829 0.000 -2.988) 5.678 7.441 ( -7.982 0.000 3.476) 8.706 7.512 ( -7.554 0.000 -3.823) 8.466 7.814 ( 6.592 -0.000 8.165) 10.494 7.994 ( 5.122 -0.000 -10.843) 11.992 8.346 ( -4.524 0.000 2.134) 5.001 8.368 ( -5.837 0.000 -0.237) 5.842 9.146 ( -8.320 0.000 1.054) 8.387 9.191 ( -7.227 0.000 -3.570) 8.061 9.767 ( 2.288 -0.000 13.666) 13.856 9.800 ( -10.357 0.000 4.718) 11.381 10.021 ( -12.563 0.000 -6.552) 14.169 10.121 ( -5.474 0.000 -10.988) 12.276 10.593 ( -16.080 0.000 2.123) 16.220 10.635 ( -19.176 0.000 -1.862) 19.266 10.993 ( -7.763 0.000 4.978) 9.222 11.039 ( -7.528 0.000 0.115) 7.529 11.244 ( -2.824 0.000 5.008) 5.749 11.363 ( -4.606 0.000 -6.625) 8.068 11.588 ( -20.184 0.000 2.575) 20.348 11.634 ( -5.677 0.000 -2.411) 6.168 12.427 ( 0.522 -0.000 13.681) 13.691 12.639 ( 2.486 -0.000 -1.205) 2.763 12.876 ( 2.237 -0.000 3.734) 4.353 13.144 ( 15.411 -0.000 -14.817) 21.378 13.387 ( -2.921 0.000 6.704) 7.312 13.558 ( -3.573 0.000 -7.783) 8.564 14.158 ( 19.270 -0.000 2.814) 19.474 14.169 ( 15.994 -0.000 2.480) 16.185 16.301 ( 6.581 -0.000 0.807) 6.631 16.382 ( 5.315 -0.000 -8.033) 9.632 17.720 ( 10.791 -0.000 7.331) 13.046 17.820 ( 8.763 -0.000 -3.274) 9.355 ======================= Grid point 618 (205/219) ======================= q-point: (-0.62 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.343 ( -6.511 1.603 6.489) 9.331 3.428 ( -3.411 1.008 -1.571) 3.888 3.512 ( -0.619 -0.149 1.056) 1.233 3.576 ( -3.805 -3.574 -4.986) 7.219 5.123 ( -18.995 2.247 2.229) 19.257 5.173 ( -17.575 1.999 -3.575) 18.046 5.303 ( -11.181 -0.746 0.059) 11.206 5.341 ( -12.839 -0.087 -3.411) 13.284 6.145 ( -11.327 -2.421 0.125) 11.584 6.156 ( -11.817 -1.669 -1.046) 11.980 7.281 ( -7.735 1.099 3.237) 8.457 7.331 ( -10.011 1.510 -1.969) 10.314 7.899 ( 1.650 1.436 6.427) 6.789 8.022 ( -3.626 -0.961 -4.975) 6.231 8.217 ( -7.950 -2.652 1.102) 8.453 8.258 ( -3.528 -2.235 -4.527) 6.160 9.010 ( -6.949 -1.292 1.923) 7.326 9.078 ( -6.127 -1.522 -4.832) 7.950 9.556 ( -12.682 2.199 6.022) 14.210 9.685 ( -15.628 2.384 -6.297) 17.017 9.812 ( -5.939 -0.114 11.440) 12.891 10.012 ( -10.253 0.108 -8.334) 13.213 10.090 ( -29.940 -1.104 1.638) 30.006 10.130 ( -28.349 -4.799 -2.592) 28.869 10.817 ( -10.473 0.064 3.227) 10.959 10.862 ( -10.539 0.405 -1.371) 10.636 11.187 ( -3.890 -1.455 4.005) 5.770 11.285 ( -3.562 -1.619 -6.399) 7.501 11.311 ( -5.699 -0.007 12.985) 14.180 11.584 ( 0.621 0.217 -14.846) 14.860 12.425 ( -0.203 0.533 11.800) 11.813 12.630 ( -1.883 0.711 -8.636) 8.867 12.968 ( 6.533 -0.370 21.111) 22.102 13.350 ( 4.373 -0.206 -15.346) 15.959 13.414 ( 7.060 1.974 5.403) 9.107 13.535 ( 1.788 1.278 -3.618) 4.233 14.601 ( 26.628 0.087 2.216) 26.720 14.641 ( 28.223 0.127 -2.320) 28.319 16.429 ( 6.618 1.897 -0.347) 6.893 16.497 ( 5.495 -2.757 -7.806) 9.936 17.964 ( 13.556 -0.207 6.515) 15.041 18.040 ( 12.345 -3.490 -1.692) 12.940 ======================= Grid point 619 (206/219) ======================= q-point: (-0.56 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -8.841 1.387 4.298) 9.927 3.286 ( -8.768 3.291 -5.957) 11.099 3.509 ( -0.981 -2.750 3.256) 4.373 3.553 ( -1.089 -3.970 -1.197) 4.287 4.723 ( -19.756 3.594 2.393) 20.222 4.792 ( -18.954 4.409 -5.163) 20.133 5.041 ( -17.187 -0.871 -0.780) 17.227 5.061 ( -14.679 -2.879 -3.198) 15.296 5.797 ( -26.747 -3.920 0.094) 27.033 5.800 ( -26.350 -5.391 -0.204) 26.896 7.056 ( -12.675 12.464 4.624) 18.368 7.113 ( -9.690 7.966 -1.032) 12.586 7.838 ( -4.556 3.197 7.894) 9.659 7.950 ( -4.338 -4.158 -2.682) 6.580 8.111 ( -8.191 -8.062 4.373) 12.297 8.270 ( -0.073 -6.375 -11.168) 12.860 8.777 ( -22.434 4.845 1.391) 22.993 8.841 ( -22.913 4.048 -4.854) 23.769 9.090 ( -30.514 -4.854 3.286) 31.072 9.167 ( -27.672 -5.768 -4.730) 28.660 9.540 ( -10.302 -4.471 7.917) 13.740 9.654 ( -9.651 -4.056 -1.789) 10.620 9.908 ( -1.154 -2.190 0.111) 2.478 9.957 ( -4.138 -1.870 -2.996) 5.440 10.572 ( -13.609 -0.040 3.344) 14.014 10.632 ( -11.434 0.397 -2.826) 11.785 11.102 ( -5.310 -3.318 4.942) 7.977 11.237 ( -3.247 -4.115 -9.430) 10.789 11.332 ( 5.201 -0.278 14.699) 15.595 11.646 ( 5.388 0.816 -17.783) 18.599 12.416 ( -0.220 1.455 11.337) 11.432 12.593 ( -1.413 1.121 -6.432) 6.680 13.096 ( 6.210 1.580 20.453) 21.433 13.400 ( 1.317 1.970 -10.053) 10.328 13.551 ( 8.556 3.854 3.542) 10.030 13.609 ( 5.360 -0.346 -0.992) 5.462 15.143 ( 27.548 3.810 2.619) 27.933 15.226 ( 30.077 -0.238 -5.965) 30.663 16.536 ( 5.588 1.571 0.024) 5.805 16.633 ( 5.929 -4.850 -10.489) 12.988 18.259 ( 16.130 -1.344 7.982) 18.047 18.344 ( 15.234 -6.488 -1.216) 16.603 ======================= Grid point 620 (207/219) ======================= q-point: (-0.50 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( -12.243 5.156 2.363) 13.493 3.063 ( -11.181 4.652 -7.818) 14.415 3.505 ( -1.667 -4.156 5.159) 6.831 3.567 ( -0.593 -4.642 -1.297) 4.856 4.285 ( -22.404 5.160 2.606) 23.138 4.359 ( -22.480 5.449 -5.343) 23.740 4.690 ( -18.190 -1.684 2.528) 18.441 4.776 ( -19.053 -7.079 -6.523) 21.347 5.191 ( -35.125 -7.217 0.158) 35.859 5.207 ( -34.310 -7.812 -1.331) 35.213 6.648 ( -20.017 16.776 7.984) 27.310 6.771 ( -21.339 11.676 -4.811) 24.796 7.577 ( -41.583 17.180 6.323) 45.435 7.632 ( -27.823 14.234 -0.391) 31.255 7.807 ( -5.669 -1.351 12.909) 14.164 8.089 ( -8.764 1.254 -15.206) 17.595 8.449 ( -4.391 -16.260 3.351) 17.172 8.563 ( -2.302 -12.288 -8.054) 14.872 8.756 ( -14.634 -13.276 3.748) 20.111 8.837 ( -15.427 -14.568 -4.428) 21.676 9.466 ( -2.884 -2.485 6.089) 7.181 9.543 ( -4.635 -3.788 -1.000) 6.070 9.837 ( -8.026 -1.445 -0.267) 8.160 9.877 ( -8.643 -2.835 -4.517) 10.156 10.374 ( -3.210 -1.448 6.107) 7.049 10.478 ( -2.854 -1.406 -4.727) 5.698 11.032 ( -4.744 -6.782 5.652) 10.022 11.208 ( -3.189 -8.018 -13.018) 15.619 11.454 ( 6.255 0.693 14.814) 16.095 11.750 ( 5.397 3.542 -15.667) 16.944 12.395 ( -0.153 3.303 9.661) 10.211 12.549 ( -2.268 1.581 -5.564) 6.213 13.185 ( 4.820 5.857 15.358) 17.130 13.386 ( -0.415 3.686 -6.299) 7.309 13.703 ( 7.988 2.699 3.847) 9.268 13.723 ( 6.163 1.069 2.195) 6.629 15.590 ( 20.328 6.967 7.848) 22.877 15.786 ( 25.341 -0.642 -11.770) 27.948 16.643 ( 5.504 -0.982 1.027) 5.685 16.793 ( 7.490 -4.880 -15.142) 17.584 18.618 ( 18.552 -3.269 9.830) 21.248 18.708 ( 17.075 -7.517 -0.166) 18.657 ======================= Grid point 621 (208/219) ======================= q-point: (-0.44 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( -12.686 10.121 2.182) 16.375 2.800 ( -10.816 8.772 -11.289) 17.927 3.423 ( -13.541 2.207 7.324) 15.552 3.522 ( -11.094 -1.096 -2.892) 11.517 3.823 ( -17.440 0.583 0.155) 17.450 3.856 ( -21.585 3.654 -3.658) 22.195 4.255 ( -32.602 -10.409 2.701) 34.330 4.297 ( -27.866 -8.614 -1.806) 29.223 4.663 ( -16.664 -6.032 6.824) 18.991 4.831 ( -10.251 -9.262 -11.280) 17.836 5.988 ( -42.380 3.277 3.245) 42.630 6.043 ( -45.247 2.390 -2.918) 45.404 6.737 ( -20.677 36.177 15.022) 44.294 6.999 ( -14.045 31.247 -10.696) 35.889 7.790 ( -0.374 -3.584 14.657) 15.093 8.022 ( -3.631 -1.717 -9.554) 10.364 8.269 ( -18.882 -0.774 2.465) 19.058 8.382 ( -17.412 -2.620 -8.061) 19.365 8.781 ( 1.607 -28.351 5.902) 29.003 8.897 ( 3.476 -29.116 -5.327) 29.802 9.369 ( -8.901 -1.240 6.194) 10.915 9.474 ( -7.081 -3.046 -3.604) 8.509 9.647 ( -10.192 -4.273 1.828) 11.202 9.723 ( -3.195 -1.393 -5.217) 6.274 10.463 ( 7.893 -3.322 4.007) 9.455 10.534 ( 5.705 -3.858 -3.357) 7.662 11.000 ( -3.784 -10.560 6.479) 12.954 11.208 ( -3.063 -11.968 -15.171) 19.565 11.534 ( 2.142 2.391 13.976) 14.340 11.784 ( 1.438 8.266 -10.959) 13.802 12.398 ( 3.019 3.281 4.326) 6.212 12.498 ( -1.114 2.441 -5.070) 5.736 13.200 ( 1.284 9.769 12.383) 15.825 13.358 ( 0.198 4.751 -4.252) 6.379 13.802 ( 3.514 0.534 5.720) 6.735 13.838 ( 6.609 5.374 2.033) 8.758 15.857 ( 11.241 6.355 14.616) 19.503 16.199 ( 16.083 1.412 -19.832) 25.573 16.762 ( 4.755 -5.311 4.294) 8.322 16.983 ( 8.759 -3.083 -19.391) 21.500 19.007 ( 17.535 -4.759 10.745) 21.109 19.088 ( 16.180 -7.500 1.830) 17.927 ======================= Grid point 622 (209/219) ======================= q-point: (-0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -7.549 14.152 2.396) 16.218 2.561 ( -6.362 11.966 -14.708) 19.999 2.858 ( -28.585 15.661 6.776) 33.291 3.004 ( -28.913 8.996 -8.002) 31.320 3.599 ( -10.168 -3.331 3.243) 11.181 3.651 ( -10.142 -7.667 -1.754) 12.834 3.861 ( -11.670 -11.403 6.262) 17.476 3.968 ( -8.053 -14.685 -4.061) 17.233 4.533 ( -1.935 -2.940 11.548) 12.072 4.756 ( -4.891 -6.984 -12.228) 14.908 5.118 ( -37.902 0.331 3.675) 38.081 5.204 ( -34.253 -2.596 -5.438) 34.779 6.299 ( -4.677 35.025 17.778) 39.557 6.647 ( -3.793 33.414 -16.917) 37.644 7.756 ( -9.205 3.639 5.891) 11.518 7.833 ( -13.342 6.559 -3.030) 15.173 7.908 ( -9.496 -2.924 13.738) 16.955 8.192 ( -3.801 -7.582 -13.567) 16.000 8.992 ( 2.415 -24.233 8.260) 25.716 9.135 ( 1.841 -20.579 -3.722) 20.994 9.199 ( -6.961 -5.352 2.796) 9.215 9.296 ( -8.954 -6.877 -5.859) 12.719 9.606 ( -0.747 -8.392 5.716) 10.181 9.722 ( 0.860 -1.523 -7.063) 7.276 10.658 ( 8.538 -5.063 2.701) 10.287 10.706 ( 7.763 -6.207 -2.186) 10.177 11.001 ( -3.599 -12.405 7.452) 14.912 11.214 ( -4.428 -12.632 -12.806) 18.525 11.517 ( -0.972 3.205 9.130) 9.725 11.719 ( -1.258 12.259 -9.106) 15.323 12.465 ( 4.240 1.390 0.461) 4.486 12.494 ( 2.147 1.920 -2.082) 3.554 13.128 ( -1.545 11.699 12.227) 16.993 13.319 ( -0.466 8.343 -7.028) 10.919 13.843 ( 1.482 2.064 7.099) 7.540 13.902 ( 3.258 6.203 1.120) 7.096 15.978 ( 4.835 4.961 18.454) 19.711 16.392 ( 5.971 5.038 -23.846) 25.093 16.897 ( 3.916 -9.761 6.125) 12.171 17.147 ( 5.731 -1.817 -20.805) 21.656 19.328 ( 10.738 -6.445 11.440) 16.962 19.407 ( 10.664 -7.779 3.278) 13.601 ======================= Grid point 623 (210/219) ======================= q-point: (-0.31 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 0.000 16.852 2.500) 17.037 2.412 ( 0.000 19.184 9.535) 21.423 2.425 ( 0.000 12.347 -17.654) 21.543 2.605 ( 0.000 11.603 -10.251) 15.482 3.496 ( -0.000 -5.172 4.500) 6.856 3.573 ( -0.000 -8.203 -3.522) 8.927 3.835 ( -0.000 -8.803 11.469) 14.458 4.018 ( -0.000 -15.678 -6.127) 16.833 4.620 ( 0.000 2.229 1.750) 2.834 4.620 ( 0.000 1.082 17.271) 17.305 4.653 ( 0.000 2.194 -1.633) 2.735 4.929 ( -0.000 -7.120 -16.096) 17.600 6.083 ( 0.000 23.139 14.355) 27.231 6.420 ( 0.000 30.108 -19.542) 35.894 7.547 ( 0.000 11.022 2.441) 11.289 7.598 ( 0.000 11.565 -2.709) 11.878 7.907 ( -0.000 -7.896 18.746) 20.341 8.215 ( -0.000 -8.760 -13.602) 16.179 9.107 ( -0.000 -1.070 3.633) 3.788 9.154 ( -0.000 -18.236 10.673) 21.130 9.175 ( -0.000 -0.489 -3.391) 3.426 9.377 ( -0.000 -26.177 -10.081) 28.051 9.661 ( -0.000 -10.542 4.943) 11.643 9.750 ( -0.000 -4.928 -5.255) 7.204 10.813 ( -0.000 -8.586 2.028) 8.822 10.853 ( -0.000 -8.232 -2.037) 8.480 11.002 ( -0.000 -4.763 10.387) 11.427 11.209 ( -0.000 -9.093 -6.558) 11.212 11.505 ( -0.000 -2.591 -1.506) 2.997 11.622 ( 0.000 11.563 -7.619) 13.848 12.506 ( 0.000 0.512 1.016) 1.138 12.526 ( 0.000 0.500 -0.980) 1.101 13.029 ( 0.000 13.073 11.454) 17.381 13.249 ( 0.000 11.459 -10.353) 15.443 13.840 ( 0.000 3.211 6.861) 7.575 13.896 ( 0.000 5.845 1.298) 5.987 15.996 ( 0.000 4.796 19.515) 20.095 16.409 ( 0.000 7.099 -21.994) 23.111 17.004 ( -0.000 -10.997 3.374) 11.503 17.215 ( -0.000 -1.783 -18.970) 19.054 19.483 ( -0.000 -8.477 12.140) 14.807 19.569 ( -0.000 -9.173 3.512) 9.823 ======================= Grid point 634 (211/219) ======================= q-point: (-0.62 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.196 ( -8.480 0.000 5.556) 10.138 3.306 ( -9.297 0.000 -5.922) 11.023 3.496 ( -1.102 0.000 1.738) 2.058 3.524 ( -0.403 0.000 -0.993) 1.072 4.744 ( -19.915 0.000 2.058) 20.021 4.819 ( -18.999 0.000 -6.146) 19.969 5.035 ( -15.582 0.000 -0.908) 15.609 5.045 ( -16.946 0.000 -1.606) 17.022 5.767 ( -26.580 0.000 0.296) 26.582 5.773 ( -26.998 0.000 -0.346) 27.000 7.147 ( -10.576 0.000 2.515) 10.871 7.155 ( -7.352 0.000 2.103) 7.647 7.879 ( -7.323 0.000 3.430) 8.086 7.906 ( -1.619 0.000 1.899) 2.496 8.050 ( -7.032 0.000 4.187) 8.184 8.227 ( 0.343 -0.000 -12.178) 12.182 8.806 ( -19.589 0.000 0.977) 19.614 8.867 ( -21.156 0.000 -4.841) 21.703 9.065 ( -37.394 0.000 2.924) 37.508 9.135 ( -32.931 0.000 -4.338) 33.215 9.510 ( -9.080 0.000 7.963) 12.078 9.625 ( -8.711 0.000 -2.200) 8.985 9.895 ( -0.488 0.000 0.680) 0.836 9.946 ( -4.385 0.000 -2.937) 5.277 10.572 ( -13.689 0.000 3.555) 14.143 10.635 ( -11.674 0.000 -2.884) 12.025 11.082 ( -5.730 0.000 4.573) 7.331 11.212 ( -3.683 0.000 -9.430) 10.124 11.330 ( 5.460 -0.000 15.183) 16.135 11.651 ( 5.727 -0.000 -18.063) 18.949 12.425 ( 0.056 -0.000 11.120) 11.121 12.600 ( -1.466 0.000 -6.383) 6.550 13.105 ( 7.007 -0.000 20.992) 22.131 13.412 ( 1.891 -0.000 -9.702) 9.885 13.577 ( 8.504 -0.000 1.655) 8.664 13.605 ( 4.766 -0.000 0.609) 4.804 15.171 ( 29.545 -0.000 0.706) 29.553 15.218 ( 28.597 -0.000 -4.070) 28.885 16.561 ( 5.742 -0.000 -3.594) 6.774 16.588 ( 5.409 -0.000 -6.972) 8.824 18.258 ( 16.262 -0.000 5.495) 17.165 18.298 ( 15.087 -0.000 1.022) 15.122 ======================= Grid point 636 (212/219) ======================= q-point: (-0.56 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( -9.794 2.700 2.080) 10.370 3.093 ( -11.380 0.563 -6.513) 13.124 3.474 ( -1.554 -1.013 3.957) 4.370 3.526 ( -0.437 -1.947 -1.290) 2.376 4.327 ( -22.297 1.692 2.529) 22.504 4.405 ( -22.807 2.016 -5.832) 23.628 4.684 ( -19.467 0.615 -0.493) 19.483 4.712 ( -19.225 -3.563 -3.624) 19.885 5.132 ( -35.884 -2.439 0.218) 35.968 5.140 ( -34.324 -3.041 -0.785) 34.467 6.796 ( -25.770 6.785 5.468) 27.203 6.868 ( -24.987 4.127 -2.041) 25.407 7.747 ( -20.155 8.310 9.422) 23.750 7.789 ( -7.519 1.009 14.030) 15.949 7.828 ( -13.948 15.396 -2.054) 20.876 8.107 ( -24.229 -3.625 -9.476) 26.267 8.242 ( -4.502 -8.673 -1.464) 9.881 8.370 ( -8.504 -16.509 -9.758) 20.978 8.673 ( -14.914 -2.309 1.616) 15.178 8.741 ( -16.717 -2.901 -4.918) 17.665 9.443 ( -1.766 -1.084 6.231) 6.566 9.510 ( -4.199 -1.584 0.289) 4.498 9.828 ( -7.913 -0.190 -1.280) 8.018 9.850 ( -7.926 -1.396 -4.175) 9.066 10.363 ( -4.166 -0.470 6.296) 7.564 10.467 ( -3.793 -0.420 -4.629) 5.999 10.976 ( -5.500 -2.392 4.880) 7.732 11.143 ( -3.929 -2.800 -13.054) 13.917 11.461 ( 6.736 0.313 15.877) 17.250 11.778 ( 6.513 1.171 -17.161) 18.393 12.425 ( 0.362 1.377 9.355) 9.463 12.561 ( -2.340 0.454 -4.239) 4.863 13.232 ( 6.224 2.004 15.471) 16.796 13.415 ( -0.866 1.226 -4.944) 5.167 13.710 ( 5.526 -0.067 4.557) 7.163 13.749 ( 8.994 1.652 0.980) 9.197 15.673 ( 21.054 6.714 2.540) 22.244 15.749 ( 23.871 -5.006 -4.889) 24.876 16.653 ( 4.715 1.815 -3.568) 6.186 16.738 ( 8.523 -3.578 -12.915) 15.882 18.601 ( 18.572 0.406 6.794) 19.780 18.637 ( 17.573 -4.158 2.697) 18.258 ======================= Grid point 637 (213/219) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 642 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( -10.429 8.443 0.813) 13.443 2.875 ( -9.494 2.759 -9.450) 13.676 3.424 ( -6.425 -0.731 5.374) 8.408 3.501 ( -5.939 -2.071 -2.571) 6.795 3.852 ( -22.366 3.324 2.116) 22.711 3.907 ( -24.563 4.163 -3.666) 25.182 4.146 ( -34.671 -7.233 2.578) 35.511 4.207 ( -32.811 -5.947 -4.043) 33.590 4.612 ( -14.183 -1.744 3.681) 14.756 4.721 ( -11.314 -8.496 -7.990) 16.248 6.020 ( -46.814 1.902 2.518) 46.920 6.068 ( -49.040 1.623 -2.993) 49.158 7.177 ( -13.784 34.755 15.668) 40.539 7.360 ( -10.764 27.282 -1.570) 29.371 7.760 ( -0.290 -0.978 11.749) 11.793 7.997 ( -1.924 -3.376 -11.514) 12.152 8.235 ( -11.879 -7.773 4.221) 14.811 8.352 ( -15.970 -4.612 -5.991) 17.669 8.457 ( -4.858 -19.253 1.375) 19.904 8.558 ( 0.527 -24.566 -8.777) 26.092 9.356 ( -8.737 -0.789 6.557) 10.952 9.445 ( -5.453 -1.793 -0.345) 5.750 9.612 ( -11.861 -1.736 1.281) 12.056 9.710 ( -2.559 -0.727 -6.896) 7.392 10.428 ( 7.243 -2.218 3.968) 8.551 10.496 ( 4.862 -2.205 -3.164) 6.205 10.901 ( -4.458 -5.680 5.261) 8.934 11.097 ( -3.401 -6.319 -15.763) 17.320 11.560 ( 3.356 1.594 16.171) 16.593 11.859 ( 2.820 4.164 -14.654) 15.493 12.433 ( 2.074 2.383 5.276) 6.149 12.518 ( -1.178 0.891 -3.035) 3.375 13.302 ( 2.466 6.821 10.171) 12.492 13.391 ( 0.005 0.800 -0.132) 0.811 13.807 ( 4.102 0.293 8.152) 9.130 13.896 ( 7.171 3.749 -0.331) 8.099 15.932 ( 9.981 5.824 10.797) 15.815 16.178 ( 16.198 -3.985 -12.702) 20.966 16.729 ( 3.392 -0.736 0.892) 3.584 16.950 ( 10.204 -2.192 -21.282) 23.704 18.969 ( 17.460 -1.551 8.644) 19.544 19.013 ( 17.056 -4.809 3.913) 18.148 ======================= Grid point 638 (214/219) ======================= q-point: (-0.44 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -6.265 12.304 1.626) 13.903 2.693 ( -4.957 8.641 -13.261) 16.585 3.029 ( -25.582 12.338 2.885) 28.548 3.099 ( -27.102 6.599 -4.137) 28.199 3.555 ( -12.981 -4.953 1.484) 13.973 3.575 ( -10.415 -3.420 -0.406) 10.970 3.730 ( -10.357 -9.604 3.577) 14.571 3.794 ( -9.553 -13.468 -2.822) 16.751 4.485 ( -1.897 -3.400 7.148) 8.139 4.654 ( -2.593 -9.533 -10.581) 14.476 5.124 ( -38.515 0.710 1.630) 38.556 5.171 ( -37.163 -2.306 -3.461) 37.395 6.778 ( -4.317 41.924 18.338) 45.962 7.055 ( -3.131 32.879 -8.234) 34.038 7.767 ( -0.637 -1.117 11.838) 11.908 7.885 ( -10.523 3.439 1.971) 11.244 7.933 ( -14.176 4.712 -1.017) 14.973 8.109 ( -5.240 -6.396 -12.091) 14.648 8.642 ( 2.067 -31.823 5.626) 32.383 8.785 ( 2.852 -31.385 -8.225) 32.570 9.174 ( -8.144 -1.107 4.874) 9.555 9.267 ( -9.494 -0.892 -4.587) 10.582 9.531 ( -1.036 -4.322 9.316) 10.322 9.714 ( 1.086 -0.369 -9.862) 9.928 10.600 ( 7.123 -4.259 2.326) 8.619 10.639 ( 6.625 -4.582 -1.686) 8.229 10.867 ( -3.608 -8.899 5.599) 11.115 11.080 ( -3.143 -8.895 -16.759) 19.232 11.571 ( -0.029 4.360 15.133) 15.748 11.842 ( -0.335 7.859 -12.343) 14.636 12.480 ( 3.105 1.008 1.463) 3.577 12.512 ( 1.166 1.073 -1.628) 2.272 13.257 ( -1.007 9.274 11.137) 14.528 13.393 ( 0.656 3.963 -2.380) 4.669 13.863 ( 2.002 1.318 10.193) 10.471 13.977 ( 3.757 5.731 -1.164) 6.951 16.033 ( 3.997 4.274 16.065) 17.098 16.418 ( 6.542 -0.814 -22.785) 23.720 16.806 ( 2.794 -5.006 8.620) 10.353 17.129 ( 6.289 -1.126 -25.230) 26.026 19.269 ( 10.572 -3.449 10.280) 15.144 19.330 ( 11.097 -4.951 4.305) 12.892 ======================= Grid point 639 (215/219) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 345 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 0.000 14.261 2.039) 14.406 2.595 ( 0.000 13.955 -16.950) 21.956 2.623 ( 0.000 15.618 5.402) 16.526 2.730 ( 0.000 9.027 -5.554) 10.599 3.434 ( -0.000 -5.161 2.318) 5.658 3.478 ( -0.000 -7.341 -2.121) 7.641 3.719 ( -0.000 -9.836 6.654) 11.875 3.828 ( -0.000 -15.331 -4.185) 15.892 4.563 ( -0.000 -7.008 11.429) 13.406 4.643 ( 0.000 1.583 1.704) 2.326 4.675 ( 0.000 1.518 -1.610) 2.213 4.810 ( -0.000 -12.366 -14.893) 19.358 6.487 ( 0.000 40.778 19.115) 45.036 6.821 ( 0.000 34.853 -13.740) 37.464 7.670 ( 0.000 9.068 2.692) 9.460 7.726 ( 0.000 9.439 -3.028) 9.912 7.824 ( -0.000 -5.628 16.726) 17.647 8.117 ( -0.000 -7.451 -13.624) 15.529 8.856 ( -0.000 -30.271 7.550) 31.198 9.013 ( -0.000 -32.663 -7.695) 33.557 9.094 ( -0.000 -1.019 4.005) 4.132 9.169 ( -0.000 -0.482 -3.725) 3.756 9.557 ( -0.000 -6.373 8.640) 10.736 9.729 ( -0.000 -0.488 -9.720) 9.732 10.718 ( -0.000 -6.880 2.261) 7.241 10.763 ( -0.000 -6.539 -2.240) 6.912 10.876 ( -0.000 -11.461 6.777) 13.315 11.093 ( -0.000 -9.587 -15.074) 17.864 11.534 ( 0.000 5.626 12.205) 13.439 11.776 ( 0.000 11.227 -11.416) 16.012 12.511 ( 0.000 0.274 1.009) 1.045 12.531 ( 0.000 0.268 -0.977) 1.013 13.179 ( 0.000 11.453 12.344) 16.839 13.363 ( 0.000 7.261 -5.853) 9.327 13.871 ( 0.000 2.102 9.658) 9.884 13.975 ( 0.000 6.831 -0.884) 6.888 16.048 ( 0.000 3.932 18.285) 18.703 16.469 ( 0.000 2.640 -24.874) 25.014 16.881 ( -0.000 -8.674 9.121) 12.587 17.199 ( -0.000 -1.068 -24.682) 24.706 19.402 ( -0.000 -5.022 11.320) 12.384 19.477 ( -0.000 -6.077 4.019) 7.286 ======================= Grid point 652 (216/219) ======================= q-point: (-0.56 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( -7.832 0.000 -2.625) 8.260 2.869 ( -10.499 0.000 -5.391) 11.802 3.420 ( -4.730 0.000 4.327) 6.410 3.485 ( -4.672 0.000 -2.259) 5.190 3.877 ( -22.640 0.000 2.515) 22.779 3.938 ( -23.784 0.000 -3.795) 24.085 4.098 ( -36.576 0.000 2.890) 36.690 4.168 ( -35.643 0.000 -4.532) 35.930 4.617 ( -12.373 0.000 -0.590) 12.387 4.652 ( -12.899 0.000 -4.080) 13.529 6.032 ( -48.235 0.000 2.315) 48.290 6.078 ( -50.186 0.000 -3.036) 50.278 7.436 ( -10.191 0.000 20.433) 22.834 7.573 ( -12.081 0.000 5.598) 13.315 7.799 ( 0.152 -0.000 5.591) 5.593 7.878 ( 0.369 -0.000 -4.143) 4.159 8.194 ( -8.573 0.000 -2.367) 8.893 8.224 ( -1.034 0.000 -7.528) 7.599 8.389 ( -16.621 0.000 -3.010) 16.891 8.413 ( -7.456 0.000 -9.284) 11.907 9.351 ( -8.661 0.000 6.715) 10.959 9.434 ( -4.786 0.000 0.877) 4.866 9.602 ( -12.392 0.000 0.889) 12.423 9.706 ( -2.269 0.000 -7.433) 7.772 10.414 ( 6.969 -0.000 4.041) 8.056 10.483 ( 4.535 -0.000 -3.138) 5.515 10.867 ( -4.663 0.000 4.878) 6.748 11.059 ( -3.489 0.000 -15.935) 16.313 11.570 ( 3.782 -0.000 16.749) 17.170 11.884 ( 3.298 -0.000 -15.928) 16.266 12.449 ( 1.663 -0.000 5.410) 5.659 12.522 ( -1.181 0.000 -2.087) 2.398 13.351 ( 4.728 -0.000 8.422) 9.659 13.388 ( -1.883 0.000 2.015) 2.758 13.809 ( 4.337 -0.000 9.302) 10.264 13.920 ( 7.363 -0.000 -1.106) 7.445 15.976 ( 8.560 -0.000 7.598) 11.446 16.142 ( 17.024 -0.000 -7.337) 18.538 16.728 ( 2.705 -0.000 -1.559) 3.123 16.936 ( 11.075 -0.000 -21.775) 24.430 18.965 ( 16.590 -0.000 6.564) 17.841 18.978 ( 18.256 -0.000 5.998) 19.216 ======================= Grid point 654 (217/219) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 640 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -5.165 9.025 -2.270) 10.644 2.743 ( -3.869 -0.761 -9.154) 9.968 3.140 ( -23.252 5.445 0.004) 23.881 3.155 ( -25.791 2.330 -1.399) 25.933 3.505 ( -15.278 -2.192 2.949) 15.713 3.557 ( -14.061 -0.336 -2.169) 14.231 3.646 ( -8.786 -3.634 1.721) 9.662 3.665 ( -8.859 -6.979 -0.129) 11.278 4.476 ( -1.902 2.353 0.577) 3.080 4.544 ( -2.150 -7.930 -6.393) 10.410 5.133 ( -38.298 0.610 0.474) 38.306 5.152 ( -39.085 -0.909 -1.901) 39.142 7.227 ( -3.467 26.963 18.771) 33.036 7.379 ( -3.161 17.357 4.494) 18.206 7.776 ( 0.677 5.234 7.436) 9.118 7.925 ( -8.922 2.086 -0.155) 9.164 7.951 ( -6.936 -6.613 -3.208) 10.106 8.021 ( -10.972 -6.166 -4.320) 13.307 8.328 ( 0.945 -13.227 -1.719) 13.371 8.447 ( 1.344 -21.204 -12.704) 24.755 9.165 ( -8.106 -0.399 5.160) 9.618 9.261 ( -9.290 -0.250 -4.553) 10.349 9.498 ( -1.111 -1.359 11.102) 11.240 9.711 ( 1.188 -0.128 -11.130) 11.194 10.563 ( 6.511 -1.611 2.388) 7.119 10.601 ( 6.001 -1.654 -1.406) 6.381 10.795 ( -3.600 -3.013 4.878) 6.770 11.008 ( -2.609 -3.019 -17.987) 18.425 11.608 ( 0.796 1.619 16.607) 16.704 11.905 ( 0.054 2.600 -14.041) 14.280 12.489 ( 2.236 0.383 2.041) 3.051 12.521 ( 0.827 0.326 -1.267) 1.548 13.340 ( -1.252 4.091 8.112) 9.171 13.418 ( 1.816 0.503 1.882) 2.663 13.874 ( 2.307 0.507 12.765) 12.982 14.027 ( 4.015 2.300 -2.308) 5.170 16.075 ( 3.120 2.191 12.765) 13.322 16.392 ( 7.455 -2.126 -16.977) 18.663 16.774 ( 1.854 -0.949 6.371) 6.703 17.120 ( 6.674 -0.380 -27.496) 28.297 19.243 ( 10.378 -1.014 9.328) 13.991 19.289 ( 11.585 -1.761 5.249) 12.840 ======================= Grid point 655 (218/219) ======================= q-point: (-0.44 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 0.000 12.460 0.184) 12.461 2.721 ( 0.000 5.852 -15.503) 16.571 2.779 ( 0.000 9.893 1.951) 10.084 2.816 ( 0.000 5.129 -1.833) 5.447 3.369 ( -0.000 -5.333 2.087) 5.727 3.411 ( -0.000 -3.491 -2.235) 4.145 3.615 ( -0.000 -6.707 4.341) 7.989 3.670 ( -0.000 -9.943 -1.203) 10.015 4.505 ( -0.000 -1.566 4.863) 5.109 4.657 ( -0.000 -12.014 -11.160) 16.398 4.657 ( 0.000 0.818 1.661) 1.851 4.689 ( 0.000 0.772 -1.581) 1.760 6.989 ( 0.000 39.448 18.610) 43.617 7.214 ( 0.000 27.988 -2.058) 28.063 7.758 ( 0.000 5.187 2.833) 5.910 7.782 ( -0.000 -0.523 12.038) 12.049 7.817 ( 0.000 5.362 -3.225) 6.257 8.034 ( -0.000 -7.475 -12.085) 14.210 8.476 ( -0.000 -29.079 3.744) 29.319 8.626 ( -0.000 -30.180 -10.468) 31.944 9.083 ( -0.000 -0.654 4.298) 4.347 9.164 ( -0.000 -0.317 -3.990) 4.002 9.503 ( -0.000 -2.809 11.626) 11.960 9.726 ( -0.000 -0.195 -11.684) 11.685 10.653 ( -0.000 -3.866 2.453) 4.578 10.700 ( -0.000 -3.647 -2.404) 4.368 10.768 ( -0.000 -6.083 6.332) 8.781 11.002 ( -0.000 -5.274 -18.567) 19.302 11.595 ( 0.000 3.880 15.842) 16.310 11.877 ( 0.000 5.542 -13.033) 14.162 12.513 ( 0.000 0.109 1.005) 1.011 12.533 ( 0.000 0.107 -0.975) 0.981 13.293 ( 0.000 7.028 10.774) 12.864 13.423 ( 0.000 2.944 -1.478) 3.294 13.892 ( 0.000 1.217 13.068) 13.125 14.046 ( 0.000 4.522 -2.451) 5.144 16.090 ( 0.000 2.859 15.207) 15.474 16.472 ( -0.000 -1.617 -23.184) 23.240 16.808 ( -0.000 -3.433 11.036) 11.558 17.189 ( -0.000 -0.493 -28.295) 28.300 19.359 ( -0.000 -2.277 10.558) 10.801 19.423 ( -0.000 -3.055 4.683) 5.591 ======================= Grid point 671 (219/219) ======================= q-point: ( 0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 187 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 0.000 0.000 -3.676) 3.676 2.740 ( 0.000 0.000 -11.708) 11.708 2.843 ( 0.000 0.000 0.231) 0.231 2.848 ( 0.000 0.000 -0.280) 0.280 3.332 ( 0.000 0.000 3.010) 3.010 3.390 ( 0.000 0.000 -3.008) 3.008 3.573 ( 0.000 0.000 3.717) 3.717 3.607 ( -0.000 -0.000 0.142) 0.142 4.524 ( -0.000 -0.000 -1.876) 1.876 4.553 ( 0.000 0.000 -5.762) 5.762 4.662 ( 0.000 0.000 1.644) 1.644 4.694 ( 0.000 0.000 -1.569) 1.569 7.285 ( -0.000 -0.000 20.504) 20.504 7.404 ( 0.000 0.000 7.295) 7.295 7.789 ( 0.000 0.000 2.876) 2.876 7.833 ( -0.000 -0.000 5.365) 5.365 7.850 ( 0.000 0.000 -3.290) 3.290 7.907 ( 0.000 0.000 -3.924) 3.924 8.312 ( 0.000 0.000 -5.426) 5.426 8.380 ( -0.000 -0.000 -13.736) 13.736 9.079 ( 0.000 0.000 4.412) 4.412 9.162 ( 0.000 0.000 -4.094) 4.094 9.486 ( 0.000 0.000 12.547) 12.547 9.724 ( 0.000 0.000 -12.359) 12.359 10.629 ( 0.000 0.000 2.529) 2.529 10.678 ( 0.000 0.000 -2.468) 2.468 10.732 ( 0.000 0.000 6.298) 6.298 10.970 ( 0.000 0.000 -19.372) 19.372 11.619 ( 0.000 0.000 16.507) 16.507 11.910 ( 0.000 0.000 -13.504) 13.504 12.514 ( 0.000 0.000 1.004) 1.004 12.533 ( 0.000 0.000 -0.975) 0.975 13.337 ( 0.000 0.000 9.195) 9.195 13.439 ( 0.000 0.000 0.680) 0.680 13.899 ( 0.000 0.000 14.670) 14.670 14.075 ( 0.000 0.000 -2.904) 2.904 16.109 ( 0.000 0.000 13.241) 13.241 16.456 ( 0.000 0.000 -20.090) 20.090 16.790 ( 0.000 0.000 9.926) 9.926 17.186 ( 0.000 0.000 -29.498) 29.498 19.346 ( 0.000 0.000 10.235) 10.235 19.404 ( 0.000 0.000 4.992) 4.992 =================== 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 3/53760 10.0 2860.032 19255.307 6971.607 0.000 0.000 0.000 3/53760 20.0 1260.585 2606.861 1809.450 0.000 0.000 0.000 3/53760 30.0 523.560 740.323 579.680 0.000 0.000 0.000 3/53760 40.0 280.870 324.007 273.901 0.000 0.000 0.000 3/53760 50.0 176.509 176.302 157.596 0.000 0.000 0.000 3/53760 60.0 121.795 108.948 101.557 0.000 0.000 0.000 3/53760 70.0 89.694 73.589 70.717 0.000 0.000 0.000 3/53760 80.0 69.408 53.195 52.215 0.000 0.000 0.000 3/53760 90.0 55.835 40.556 40.380 0.000 0.000 0.000 3/53760 100.0 46.319 32.250 32.411 0.000 0.000 0.000 3/53760 110.0 39.380 26.521 26.811 0.000 0.000 0.000 3/53760 120.0 34.153 22.402 22.731 0.000 0.000 0.000 3/53760 130.0 30.104 19.335 19.664 0.000 0.000 0.000 3/53760 140.0 26.893 16.984 17.297 0.000 0.000 0.000 3/53760 150.0 24.293 15.135 15.425 0.000 0.000 0.000 3/53760 160.0 22.152 13.647 13.916 0.000 0.000 0.000 3/53760 170.0 20.360 12.429 12.677 0.000 0.000 0.000 3/53760 180.0 18.841 11.414 11.644 0.000 0.000 0.000 3/53760 190.0 17.538 10.556 10.771 0.000 0.000 0.000 3/53760 200.0 16.408 9.823 10.024 0.000 0.000 0.000 3/53760 210.0 15.420 9.188 9.378 0.000 0.000 0.000 3/53760 220.0 14.548 8.634 8.814 0.000 0.000 0.000 3/53760 230.0 13.773 8.146 8.317 0.000 0.000 0.000 3/53760 240.0 13.080 7.712 7.876 0.000 0.000 0.000 3/53760 250.0 12.456 7.325 7.481 0.000 0.000 0.000 3/53760 260.0 11.891 6.976 7.127 0.000 0.000 0.000 3/53760 270.0 11.377 6.661 6.806 0.000 0.000 0.000 3/53760 280.0 10.908 6.374 6.515 0.000 0.000 0.000 3/53760 290.0 10.477 6.112 6.249 0.000 0.000 0.000 3/53760 300.0 10.081 5.872 6.005 0.000 0.000 0.000 3/53760 310.0 9.715 5.651 5.780 0.000 0.000 0.000 3/53760 320.0 9.375 5.446 5.572 0.000 0.000 0.000 3/53760 330.0 9.059 5.257 5.380 0.000 0.000 0.000 3/53760 340.0 8.765 5.081 5.201 0.000 0.000 0.000 3/53760 350.0 8.489 4.917 5.034 0.000 0.000 0.000 3/53760 360.0 8.231 4.763 4.878 0.000 0.000 0.000 3/53760 370.0 7.989 4.619 4.731 0.000 0.000 0.000 3/53760 380.0 7.761 4.484 4.594 0.000 0.000 0.000 3/53760 390.0 7.546 4.357 4.465 0.000 0.000 0.000 3/53760 400.0 7.344 4.237 4.343 0.000 0.000 0.000 3/53760 410.0 7.152 4.124 4.228 0.000 0.000 0.000 3/53760 420.0 6.970 4.017 4.119 0.000 0.000 0.000 3/53760 430.0 6.797 3.916 4.015 0.000 0.000 0.000 3/53760 440.0 6.633 3.819 3.917 0.000 0.000 0.000 3/53760 450.0 6.477 3.728 3.824 0.000 0.000 0.000 3/53760 460.0 6.328 3.641 3.735 0.000 0.000 0.000 3/53760 470.0 6.186 3.558 3.650 0.000 0.000 0.000 3/53760 480.0 6.051 3.478 3.570 0.000 0.000 0.000 3/53760 490.0 5.921 3.403 3.492 0.000 0.000 0.000 3/53760 500.0 5.797 3.330 3.419 0.000 0.000 0.000 3/53760 510.0 5.678 3.261 3.348 0.000 0.000 0.000 3/53760 520.0 5.564 3.195 3.280 0.000 0.000 0.000 3/53760 530.0 5.455 3.131 3.215 0.000 0.000 0.000 3/53760 540.0 5.350 3.070 3.153 0.000 0.000 0.000 3/53760 550.0 5.249 3.011 3.093 0.000 0.000 0.000 3/53760 560.0 5.152 2.955 3.035 0.000 0.000 0.000 3/53760 570.0 5.058 2.900 2.980 0.000 0.000 0.000 3/53760 580.0 4.968 2.848 2.926 0.000 0.000 0.000 3/53760 590.0 4.881 2.798 2.875 0.000 0.000 0.000 3/53760 600.0 4.797 2.749 2.825 0.000 0.000 0.000 3/53760 610.0 4.716 2.702 2.777 0.000 0.000 0.000 3/53760 620.0 4.637 2.657 2.730 0.000 0.000 0.000 3/53760 630.0 4.561 2.613 2.686 0.000 0.000 0.000 3/53760 640.0 4.488 2.571 2.642 0.000 0.000 0.000 3/53760 650.0 4.417 2.530 2.600 0.000 0.000 0.000 3/53760 660.0 4.349 2.490 2.560 0.000 0.000 0.000 3/53760 670.0 4.282 2.451 2.520 0.000 0.000 0.000 3/53760 680.0 4.217 2.414 2.482 0.000 0.000 0.000 3/53760 690.0 4.155 2.378 2.445 0.000 0.000 0.000 3/53760 700.0 4.094 2.343 2.409 0.000 0.000 0.000 3/53760 710.0 4.035 2.309 2.374 0.000 0.000 0.000 3/53760 720.0 3.978 2.276 2.341 0.000 0.000 0.000 3/53760 730.0 3.922 2.244 2.308 0.000 0.000 0.000 3/53760 740.0 3.868 2.213 2.276 0.000 0.000 0.000 3/53760 750.0 3.815 2.182 2.245 0.000 0.000 0.000 3/53760 760.0 3.764 2.153 2.215 0.000 0.000 0.000 3/53760 770.0 3.714 2.124 2.185 0.000 0.000 0.000 3/53760 780.0 3.666 2.096 2.157 0.000 0.000 0.000 3/53760 790.0 3.619 2.069 2.129 0.000 0.000 0.000 3/53760 800.0 3.573 2.043 2.101 0.000 0.000 0.000 3/53760 810.0 3.528 2.017 2.075 0.000 0.000 0.000 3/53760 820.0 3.484 1.992 2.049 0.000 0.000 0.000 3/53760 830.0 3.441 1.967 2.024 0.000 0.000 0.000 3/53760 840.0 3.400 1.943 2.000 0.000 0.000 0.000 3/53760 850.0 3.359 1.920 1.976 0.000 0.000 0.000 3/53760 860.0 3.319 1.897 1.952 0.000 0.000 0.000 3/53760 870.0 3.281 1.875 1.929 0.000 0.000 0.000 3/53760 880.0 3.243 1.853 1.907 0.000 0.000 0.000 3/53760 890.0 3.206 1.832 1.885 0.000 0.000 0.000 3/53760 900.0 3.170 1.811 1.864 0.000 0.000 0.000 3/53760 910.0 3.134 1.791 1.843 0.000 0.000 0.000 3/53760 920.0 3.100 1.771 1.823 0.000 0.000 0.000 3/53760 930.0 3.066 1.752 1.803 0.000 0.000 0.000 3/53760 940.0 3.033 1.733 1.784 0.000 0.000 0.000 3/53760 950.0 3.001 1.714 1.764 0.000 0.000 0.000 3/53760 960.0 2.969 1.696 1.746 0.000 0.000 0.000 3/53760 970.0 2.938 1.678 1.728 0.000 0.000 0.000 3/53760 980.0 2.908 1.661 1.710 0.000 0.000 0.000 3/53760 990.0 2.878 1.644 1.692 0.000 0.000 0.000 3/53760 1000.0 2.849 1.627 1.675 0.000 0.000 0.000 3/53760 Thermal conductivity related properties were written into "kappa-m16165.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:58:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|