----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:59:04]------------------------- 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: [3 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: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.843948615000000 -5.082239080000000 0.000000000000000 b 1.843948615000000 5.082239080000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.587375580000000 Atomic positions (fractional): *1 Ti 0.12943167050865 0.87056832949135 0.43456746060699 47.867 2 Ti 0.12943167050865 0.87056832949135 0.06543253939301 47.867 3 Ti 0.87056832949135 0.12943167050865 0.93456746060699 47.867 4 Ti 0.87056832949135 0.12943167050865 0.56543253939301 47.867 *5 Cd 0.19087995834516 0.80912004165484 0.75000000000000 112.411 6 Cd 0.80912004165484 0.19087995834516 0.25000000000000 112.411 *7 O 0.04450743703234 0.95549256296766 0.89612999268497 15.999 8 O 0.04450743703234 0.95549256296766 0.60387000731503 15.999 *9 O 0.31514784806372 0.68485215193628 0.94803285308493 15.999 10 O 0.31514784806372 0.68485215193628 0.55196714691507 15.999 *11 O 0.81508786293920 0.18491213706080 0.75000000000000 15.999 12 O 0.18491213706080 0.81508786293920 0.25000000000000 15.999 13 O 0.68485215193628 0.31514784806372 0.44803285308493 15.999 14 O 0.95549256296766 0.04450743703234 0.39612999268497 15.999 15 O 0.68485215193628 0.31514784806372 0.05196714691507 15.999 16 O 0.95549256296766 0.04450743703234 0.10387000731503 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.687897229999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.164478160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.587375580000000 Atomic positions (fractional): *1 Ti 0.50000000000000 0.37056832949135 0.43456746060699 47.867 > 1 2 Ti 0.50000000000000 0.37056832949135 0.06543253939301 47.867 > 2 3 Ti 0.00000000000000 0.12943167050865 0.93456746060699 47.867 > 3 4 Ti 0.00000000000000 0.12943167050865 0.56543253939301 47.867 > 4 5 Ti 0.00000000000000 0.87056832949135 0.43456746060699 47.867 > 1 6 Ti 0.00000000000000 0.87056832949135 0.06543253939301 47.867 > 2 7 Ti 0.50000000000000 0.62943167050865 0.93456746060699 47.867 > 3 8 Ti 0.50000000000000 0.62943167050865 0.56543253939301 47.867 > 4 *9 Cd 0.50000000000000 0.30912004165484 0.75000000000000 112.411 > 5 10 Cd 0.00000000000000 0.19087995834516 0.25000000000000 112.411 > 6 11 Cd 0.00000000000000 0.80912004165484 0.75000000000000 112.411 > 5 12 Cd 0.50000000000000 0.69087995834516 0.25000000000000 112.411 > 6 *13 O 0.50000000000000 0.45549256296766 0.89612999268497 15.999 > 7 14 O 0.50000000000000 0.45549256296766 0.60387000731503 15.999 > 8 *15 O 0.50000000000000 0.18485215193628 0.94803285308493 15.999 > 9 16 O 0.50000000000000 0.18485215193628 0.55196714691507 15.999 > 10 *17 O 0.00000000000000 0.18491213706080 0.75000000000000 15.999 > 11 18 O 0.50000000000000 0.31508786293920 0.25000000000000 15.999 > 12 19 O 0.00000000000000 0.31514784806372 0.44803285308493 15.999 > 13 20 O 0.00000000000000 0.04450743703234 0.39612999268497 15.999 > 14 21 O 0.00000000000000 0.31514784806372 0.05196714691507 15.999 > 15 22 O 0.00000000000000 0.04450743703234 0.10387000731503 15.999 > 16 23 O 0.00000000000000 0.95549256296766 0.89612999268497 15.999 > 7 24 O 0.00000000000000 0.95549256296766 0.60387000731503 15.999 > 8 25 O 0.00000000000000 0.68485215193628 0.94803285308493 15.999 > 9 26 O 0.00000000000000 0.68485215193628 0.55196714691507 15.999 > 10 27 O 0.50000000000000 0.68491213706080 0.75000000000000 15.999 > 11 28 O 0.00000000000000 0.81508786293920 0.25000000000000 15.999 > 12 29 O 0.50000000000000 0.81514784806372 0.44803285308493 15.999 > 13 30 O 0.50000000000000 0.54450743703234 0.39612999268497 15.999 > 14 31 O 0.50000000000000 0.81514784806372 0.05196714691507 15.999 > 15 32 O 0.50000000000000 0.54450743703234 0.10387000731503 15.999 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.063691689999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.164478160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.587375580000000 Atomic positions (fractional): *1 Ti 0.16666666666667 0.37056832949135 0.43456746060699 47.867 > 1 2 Ti 0.50000000000000 0.37056832949135 0.43456746060699 47.867 > 1 3 Ti 0.83333333333333 0.37056832949135 0.43456746060699 47.867 > 1 4 Ti 0.16666666666667 0.37056832949135 0.06543253939301 47.867 > 2 5 Ti 0.50000000000000 0.37056832949135 0.06543253939301 47.867 > 2 6 Ti 0.83333333333333 0.37056832949135 0.06543253939301 47.867 > 2 7 Ti 0.00000000000000 0.12943167050865 0.93456746060699 47.867 > 3 8 Ti 0.33333333333333 0.12943167050865 0.93456746060699 47.867 > 3 9 Ti 0.66666666666667 0.12943167050865 0.93456746060699 47.867 > 3 10 Ti 0.00000000000000 0.12943167050865 0.56543253939301 47.867 > 4 11 Ti 0.33333333333333 0.12943167050865 0.56543253939301 47.867 > 4 12 Ti 0.66666666666667 0.12943167050865 0.56543253939301 47.867 > 4 13 Ti 0.00000000000000 0.87056832949135 0.43456746060699 47.867 > 1 14 Ti 0.33333333333333 0.87056832949135 0.43456746060699 47.867 > 1 15 Ti 0.66666666666667 0.87056832949135 0.43456746060699 47.867 > 1 16 Ti 0.00000000000000 0.87056832949135 0.06543253939301 47.867 > 2 17 Ti 0.33333333333333 0.87056832949135 0.06543253939301 47.867 > 2 18 Ti 0.66666666666667 0.87056832949135 0.06543253939301 47.867 > 2 19 Ti 0.16666666666667 0.62943167050865 0.93456746060699 47.867 > 3 20 Ti 0.50000000000000 0.62943167050865 0.93456746060699 47.867 > 3 21 Ti 0.83333333333333 0.62943167050865 0.93456746060699 47.867 > 3 22 Ti 0.16666666666667 0.62943167050865 0.56543253939301 47.867 > 4 23 Ti 0.50000000000000 0.62943167050865 0.56543253939301 47.867 > 4 24 Ti 0.83333333333333 0.62943167050865 0.56543253939301 47.867 > 4 *25 Cd 0.16666666666667 0.30912004165484 0.75000000000000 112.411 > 5 26 Cd 0.50000000000000 0.30912004165484 0.75000000000000 112.411 > 5 27 Cd 0.83333333333333 0.30912004165484 0.75000000000000 112.411 > 5 28 Cd 0.00000000000000 0.19087995834516 0.25000000000000 112.411 > 6 29 Cd 0.33333333333333 0.19087995834516 0.25000000000000 112.411 > 6 30 Cd 0.66666666666667 0.19087995834516 0.25000000000000 112.411 > 6 31 Cd 0.00000000000000 0.80912004165484 0.75000000000000 112.411 > 5 32 Cd 0.33333333333333 0.80912004165484 0.75000000000000 112.411 > 5 33 Cd 0.66666666666667 0.80912004165484 0.75000000000000 112.411 > 5 34 Cd 0.16666666666667 0.69087995834516 0.25000000000000 112.411 > 6 35 Cd 0.50000000000000 0.69087995834516 0.25000000000000 112.411 > 6 36 Cd 0.83333333333333 0.69087995834516 0.25000000000000 112.411 > 6 *37 O 0.16666666666667 0.45549256296766 0.89612999268497 15.999 > 7 38 O 0.50000000000000 0.45549256296766 0.89612999268497 15.999 > 7 39 O 0.83333333333333 0.45549256296766 0.89612999268497 15.999 > 7 40 O 0.16666666666667 0.45549256296766 0.60387000731503 15.999 > 8 41 O 0.50000000000000 0.45549256296766 0.60387000731503 15.999 > 8 42 O 0.83333333333333 0.45549256296766 0.60387000731503 15.999 > 8 *43 O 0.16666666666667 0.18485215193628 0.94803285308493 15.999 > 9 44 O 0.50000000000000 0.18485215193628 0.94803285308493 15.999 > 9 45 O 0.83333333333333 0.18485215193628 0.94803285308493 15.999 > 9 46 O 0.16666666666667 0.18485215193628 0.55196714691507 15.999 > 10 47 O 0.50000000000000 0.18485215193628 0.55196714691507 15.999 > 10 48 O 0.83333333333333 0.18485215193628 0.55196714691507 15.999 > 10 *49 O 0.00000000000000 0.18491213706080 0.75000000000000 15.999 > 11 50 O 0.33333333333333 0.18491213706080 0.75000000000000 15.999 > 11 51 O 0.66666666666667 0.18491213706080 0.75000000000000 15.999 > 11 52 O 0.16666666666667 0.31508786293920 0.25000000000000 15.999 > 12 53 O 0.50000000000000 0.31508786293920 0.25000000000000 15.999 > 12 54 O 0.83333333333333 0.31508786293920 0.25000000000000 15.999 > 12 55 O 0.00000000000000 0.31514784806372 0.44803285308493 15.999 > 13 56 O 0.33333333333333 0.31514784806372 0.44803285308493 15.999 > 13 57 O 0.66666666666667 0.31514784806372 0.44803285308493 15.999 > 13 58 O 0.00000000000000 0.04450743703234 0.39612999268497 15.999 > 14 59 O 0.33333333333333 0.04450743703234 0.39612999268497 15.999 > 14 60 O 0.66666666666667 0.04450743703234 0.39612999268497 15.999 > 14 61 O 0.00000000000000 0.31514784806372 0.05196714691507 15.999 > 15 62 O 0.33333333333333 0.31514784806372 0.05196714691507 15.999 > 15 63 O 0.66666666666667 0.31514784806372 0.05196714691507 15.999 > 15 64 O 0.00000000000000 0.04450743703234 0.10387000731503 15.999 > 16 65 O 0.33333333333333 0.04450743703234 0.10387000731503 15.999 > 16 66 O 0.66666666666667 0.04450743703234 0.10387000731503 15.999 > 16 67 O 0.00000000000000 0.95549256296766 0.89612999268497 15.999 > 7 68 O 0.33333333333333 0.95549256296766 0.89612999268497 15.999 > 7 69 O 0.66666666666667 0.95549256296766 0.89612999268497 15.999 > 7 70 O 0.00000000000000 0.95549256296766 0.60387000731503 15.999 > 8 71 O 0.33333333333333 0.95549256296766 0.60387000731503 15.999 > 8 72 O 0.66666666666667 0.95549256296766 0.60387000731503 15.999 > 8 73 O 0.00000000000000 0.68485215193628 0.94803285308493 15.999 > 9 74 O 0.33333333333333 0.68485215193628 0.94803285308493 15.999 > 9 75 O 0.66666666666667 0.68485215193628 0.94803285308493 15.999 > 9 76 O 0.00000000000000 0.68485215193628 0.55196714691507 15.999 > 10 77 O 0.33333333333333 0.68485215193628 0.55196714691507 15.999 > 10 78 O 0.66666666666667 0.68485215193628 0.55196714691507 15.999 > 10 79 O 0.16666666666667 0.68491213706080 0.75000000000000 15.999 > 11 80 O 0.50000000000000 0.68491213706080 0.75000000000000 15.999 > 11 81 O 0.83333333333333 0.68491213706080 0.75000000000000 15.999 > 11 82 O 0.00000000000000 0.81508786293920 0.25000000000000 15.999 > 12 83 O 0.33333333333333 0.81508786293920 0.25000000000000 15.999 > 12 84 O 0.66666666666667 0.81508786293920 0.25000000000000 15.999 > 12 85 O 0.16666666666667 0.81514784806372 0.44803285308493 15.999 > 13 86 O 0.50000000000000 0.81514784806372 0.44803285308493 15.999 > 13 87 O 0.83333333333333 0.81514784806372 0.44803285308493 15.999 > 13 88 O 0.16666666666667 0.54450743703234 0.39612999268497 15.999 > 14 89 O 0.50000000000000 0.54450743703234 0.39612999268497 15.999 > 14 90 O 0.83333333333333 0.54450743703234 0.39612999268497 15.999 > 14 91 O 0.16666666666667 0.81514784806372 0.05196714691507 15.999 > 15 92 O 0.50000000000000 0.81514784806372 0.05196714691507 15.999 > 15 93 O 0.83333333333333 0.81514784806372 0.05196714691507 15.999 > 15 94 O 0.16666666666667 0.54450743703234 0.10387000731503 15.999 > 16 95 O 0.50000000000000 0.54450743703234 0.10387000731503 15.999 > 16 96 O 0.83333333333333 0.54450743703234 0.10387000731503 15.999 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.8864828 0.0000000 0.0000000 0.0000000 5.8028206 0.0000000 0.0000000 0.0000000 5.5932623 -------------------------- Born effective charges -------------------------- 1 Ti 6.0742726 0.0000000 0.0000000 0.0000000 5.4598954 0.6227692 0.0000000 0.9773303 4.9566880 2 Ti 6.0742726 0.0000000 0.0000000 0.0000000 5.4598954 -0.6227692 0.0000000 -0.9773303 4.9566880 3 Ti 6.0742726 0.0000000 0.0000000 0.0000000 5.4598954 -0.6227692 0.0000000 -0.9773303 4.9566880 4 Ti 6.0742726 0.0000000 0.0000000 0.0000000 5.4598954 0.6227692 0.0000000 0.9773303 4.9566880 5 Cd 2.1262752 0.0000000 0.0000000 0.0000000 2.7152916 0.0000000 0.0000000 0.0000000 2.7909451 6 Cd 2.1262752 0.0000000 0.0000000 0.0000000 2.7152916 0.0000000 0.0000000 0.0000000 2.7909451 7 O -0.9129226 0.0000000 0.0000000 0.0000000 -3.7626515 0.1937545 0.0000000 0.3906657 -2.4233488 8 O -0.9129226 0.0000000 0.0000000 0.0000000 -3.7626515 -0.1937545 0.0000000 -0.3906657 -2.4233488 9 O -5.2005428 0.0000000 0.0000000 0.0000000 -2.2002189 -0.3491186 0.0000000 -0.1949951 -1.6218677 10 O -5.2005428 0.0000000 0.0000000 0.0000000 -2.2002189 0.3491186 0.0000000 0.1949951 -1.6218677 11 O -2.0478897 0.0000000 0.0000000 0.0000000 -1.7093416 0.0000000 0.0000000 0.0000000 -4.6138879 12 O -2.0478897 0.0000000 0.0000000 0.0000000 -1.7093416 0.0000000 0.0000000 0.0000000 -4.6138879 13 O -5.2005428 0.0000000 0.0000000 0.0000000 -2.2002189 0.3491186 0.0000000 0.1949951 -1.6218677 14 O -0.9129226 0.0000000 0.0000000 0.0000000 -3.7626515 -0.1937545 0.0000000 -0.3906657 -2.4233488 15 O -5.2005428 0.0000000 0.0000000 0.0000000 -2.2002189 -0.3491186 0.0000000 -0.1949951 -1.6218677 16 O -0.9129226 0.0000000 0.0000000 0.0000000 -3.7626515 0.1937545 0.0000000 0.3906657 -2.4233488 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 8652/8652 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1000 Number of blocks in projector: 1000 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: 240 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 120 Use standard eigh solver. Tree of FC basis block matrices: - (1000, 979), data: False |-- (120, 120), data: True |-- (136, 136), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (240, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.913 Solver_block: 200 / 240 - Time: 0.903 Solver_block: 240 / 240 - Time: 0.429 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.262 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 8652/8652 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1000 Number of blocks in projector: 1000 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: 240 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 120 Use standard eigh solver. Tree of FC basis block matrices: - (1000, 979), data: False |-- (120, 120), data: True |-- (136, 136), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (240, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:59:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:59:16]------------------------- 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): [3 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 1.843948615000000 -5.082239080000000 0.000000000000000 b 1.843948615000000 5.082239080000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.587375580000000 Atomic positions (fractional): 1 Ti 0.12943167050865 0.87056832949135 0.43456746060699 47.867 2 Ti 0.12943167050865 0.87056832949135 0.06543253939301 47.867 3 Ti 0.87056832949135 0.12943167050865 0.93456746060699 47.867 4 Ti 0.87056832949135 0.12943167050865 0.56543253939301 47.867 5 Cd 0.19087995834516 0.80912004165484 0.75000000000000 112.411 6 Cd 0.80912004165484 0.19087995834516 0.25000000000000 112.411 7 O 0.04450743703234 0.95549256296766 0.89612999268497 15.999 8 O 0.04450743703234 0.95549256296766 0.60387000731503 15.999 9 O 0.31514784806372 0.68485215193628 0.94803285308493 15.999 10 O 0.31514784806372 0.68485215193628 0.55196714691507 15.999 11 O 0.81508786293920 0.18491213706080 0.75000000000000 15.999 12 O 0.18491213706080 0.81508786293920 0.25000000000000 15.999 13 O 0.68485215193628 0.31514784806372 0.44803285308493 15.999 14 O 0.95549256296766 0.04450743703234 0.39612999268497 15.999 15 O 0.68485215193628 0.31514784806372 0.05196714691507 15.999 16 O 0.95549256296766 0.04450743703234 0.10387000731503 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.063691689999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.164478160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.587375580000000 Atomic positions (fractional): 1 Ti 0.16666666666667 0.37056832949135 0.43456746060699 47.867 > 1 2 Ti 0.50000000000000 0.37056832949135 0.43456746060699 47.867 > 1 3 Ti 0.83333333333333 0.37056832949135 0.43456746060699 47.867 > 1 4 Ti 0.16666666666667 0.37056832949135 0.06543253939301 47.867 > 4 5 Ti 0.50000000000000 0.37056832949135 0.06543253939301 47.867 > 4 6 Ti 0.83333333333333 0.37056832949135 0.06543253939301 47.867 > 4 7 Ti 0.00000000000000 0.12943167050865 0.93456746060699 47.867 > 7 8 Ti 0.33333333333333 0.12943167050865 0.93456746060699 47.867 > 7 9 Ti 0.66666666666667 0.12943167050865 0.93456746060699 47.867 > 7 10 Ti 0.00000000000000 0.12943167050865 0.56543253939301 47.867 > 10 11 Ti 0.33333333333333 0.12943167050865 0.56543253939301 47.867 > 10 12 Ti 0.66666666666667 0.12943167050865 0.56543253939301 47.867 > 10 13 Ti 0.00000000000000 0.87056832949135 0.43456746060699 47.867 > 1 14 Ti 0.33333333333333 0.87056832949135 0.43456746060699 47.867 > 1 15 Ti 0.66666666666667 0.87056832949135 0.43456746060699 47.867 > 1 16 Ti 0.00000000000000 0.87056832949135 0.06543253939301 47.867 > 4 17 Ti 0.33333333333333 0.87056832949135 0.06543253939301 47.867 > 4 18 Ti 0.66666666666667 0.87056832949135 0.06543253939301 47.867 > 4 19 Ti 0.16666666666667 0.62943167050865 0.93456746060699 47.867 > 7 20 Ti 0.50000000000000 0.62943167050865 0.93456746060699 47.867 > 7 21 Ti 0.83333333333333 0.62943167050865 0.93456746060699 47.867 > 7 22 Ti 0.16666666666667 0.62943167050865 0.56543253939301 47.867 > 10 23 Ti 0.50000000000000 0.62943167050865 0.56543253939301 47.867 > 10 24 Ti 0.83333333333333 0.62943167050865 0.56543253939301 47.867 > 10 25 Cd 0.16666666666667 0.30912004165484 0.75000000000000 112.411 > 25 26 Cd 0.50000000000000 0.30912004165484 0.75000000000000 112.411 > 25 27 Cd 0.83333333333333 0.30912004165484 0.75000000000000 112.411 > 25 28 Cd 0.00000000000000 0.19087995834516 0.25000000000000 112.411 > 28 29 Cd 0.33333333333333 0.19087995834516 0.25000000000000 112.411 > 28 30 Cd 0.66666666666667 0.19087995834516 0.25000000000000 112.411 > 28 31 Cd 0.00000000000000 0.80912004165484 0.75000000000000 112.411 > 25 32 Cd 0.33333333333333 0.80912004165484 0.75000000000000 112.411 > 25 33 Cd 0.66666666666667 0.80912004165484 0.75000000000000 112.411 > 25 34 Cd 0.16666666666667 0.69087995834516 0.25000000000000 112.411 > 28 35 Cd 0.50000000000000 0.69087995834516 0.25000000000000 112.411 > 28 36 Cd 0.83333333333333 0.69087995834516 0.25000000000000 112.411 > 28 37 O 0.16666666666667 0.45549256296766 0.89612999268497 15.999 > 37 38 O 0.50000000000000 0.45549256296766 0.89612999268497 15.999 > 37 39 O 0.83333333333333 0.45549256296766 0.89612999268497 15.999 > 37 40 O 0.16666666666667 0.45549256296766 0.60387000731503 15.999 > 40 41 O 0.50000000000000 0.45549256296766 0.60387000731503 15.999 > 40 42 O 0.83333333333333 0.45549256296766 0.60387000731503 15.999 > 40 43 O 0.16666666666667 0.18485215193628 0.94803285308493 15.999 > 43 44 O 0.50000000000000 0.18485215193628 0.94803285308493 15.999 > 43 45 O 0.83333333333333 0.18485215193628 0.94803285308493 15.999 > 43 46 O 0.16666666666667 0.18485215193628 0.55196714691507 15.999 > 46 47 O 0.50000000000000 0.18485215193628 0.55196714691507 15.999 > 46 48 O 0.83333333333333 0.18485215193628 0.55196714691507 15.999 > 46 49 O 0.00000000000000 0.18491213706080 0.75000000000000 15.999 > 49 50 O 0.33333333333333 0.18491213706080 0.75000000000000 15.999 > 49 51 O 0.66666666666667 0.18491213706080 0.75000000000000 15.999 > 49 52 O 0.16666666666667 0.31508786293920 0.25000000000000 15.999 > 52 53 O 0.50000000000000 0.31508786293920 0.25000000000000 15.999 > 52 54 O 0.83333333333333 0.31508786293920 0.25000000000000 15.999 > 52 55 O 0.00000000000000 0.31514784806372 0.44803285308493 15.999 > 55 56 O 0.33333333333333 0.31514784806372 0.44803285308493 15.999 > 55 57 O 0.66666666666667 0.31514784806372 0.44803285308493 15.999 > 55 58 O 0.00000000000000 0.04450743703234 0.39612999268497 15.999 > 58 59 O 0.33333333333333 0.04450743703234 0.39612999268497 15.999 > 58 60 O 0.66666666666667 0.04450743703234 0.39612999268497 15.999 > 58 61 O 0.00000000000000 0.31514784806372 0.05196714691507 15.999 > 61 62 O 0.33333333333333 0.31514784806372 0.05196714691507 15.999 > 61 63 O 0.66666666666667 0.31514784806372 0.05196714691507 15.999 > 61 64 O 0.00000000000000 0.04450743703234 0.10387000731503 15.999 > 64 65 O 0.33333333333333 0.04450743703234 0.10387000731503 15.999 > 64 66 O 0.66666666666667 0.04450743703234 0.10387000731503 15.999 > 64 67 O 0.00000000000000 0.95549256296766 0.89612999268497 15.999 > 37 68 O 0.33333333333333 0.95549256296766 0.89612999268497 15.999 > 37 69 O 0.66666666666667 0.95549256296766 0.89612999268497 15.999 > 37 70 O 0.00000000000000 0.95549256296766 0.60387000731503 15.999 > 40 71 O 0.33333333333333 0.95549256296766 0.60387000731503 15.999 > 40 72 O 0.66666666666667 0.95549256296766 0.60387000731503 15.999 > 40 73 O 0.00000000000000 0.68485215193628 0.94803285308493 15.999 > 43 74 O 0.33333333333333 0.68485215193628 0.94803285308493 15.999 > 43 75 O 0.66666666666667 0.68485215193628 0.94803285308493 15.999 > 43 76 O 0.00000000000000 0.68485215193628 0.55196714691507 15.999 > 46 77 O 0.33333333333333 0.68485215193628 0.55196714691507 15.999 > 46 78 O 0.66666666666667 0.68485215193628 0.55196714691507 15.999 > 46 79 O 0.16666666666667 0.68491213706080 0.75000000000000 15.999 > 49 80 O 0.50000000000000 0.68491213706080 0.75000000000000 15.999 > 49 81 O 0.83333333333333 0.68491213706080 0.75000000000000 15.999 > 49 82 O 0.00000000000000 0.81508786293920 0.25000000000000 15.999 > 52 83 O 0.33333333333333 0.81508786293920 0.25000000000000 15.999 > 52 84 O 0.66666666666667 0.81508786293920 0.25000000000000 15.999 > 52 85 O 0.16666666666667 0.81514784806372 0.44803285308493 15.999 > 55 86 O 0.50000000000000 0.81514784806372 0.44803285308493 15.999 > 55 87 O 0.83333333333333 0.81514784806372 0.44803285308493 15.999 > 55 88 O 0.16666666666667 0.54450743703234 0.39612999268497 15.999 > 58 89 O 0.50000000000000 0.54450743703234 0.39612999268497 15.999 > 58 90 O 0.83333333333333 0.54450743703234 0.39612999268497 15.999 > 58 91 O 0.16666666666667 0.81514784806372 0.05196714691507 15.999 > 61 92 O 0.50000000000000 0.81514784806372 0.05196714691507 15.999 > 61 93 O 0.83333333333333 0.81514784806372 0.05196714691507 15.999 > 61 94 O 0.16666666666667 0.54450743703234 0.10387000731503 15.999 > 64 95 O 0.50000000000000 0.54450743703234 0.10387000731503 15.999 > 64 96 O 0.83333333333333 0.54450743703234 0.10387000731503 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.8864828 0.0000000 0.0000000 0.0000000 5.8028206 0.0000000 0.0000000 0.0000000 5.5932623 -------------------------- Born effective charges -------------------------- 1 Ti 6.0742726 0.0000000 0.0000000 0.0000000 5.4598954 0.6227692 0.0000000 0.9773303 4.9566880 2 Ti 6.0742726 0.0000000 0.0000000 0.0000000 5.4598954 -0.6227692 0.0000000 -0.9773303 4.9566880 3 Ti 6.0742726 0.0000000 0.0000000 0.0000000 5.4598954 -0.6227692 0.0000000 -0.9773303 4.9566880 4 Ti 6.0742726 0.0000000 0.0000000 0.0000000 5.4598954 0.6227692 0.0000000 0.9773303 4.9566880 5 Cd 2.1262752 0.0000000 0.0000000 0.0000000 2.7152916 0.0000000 0.0000000 0.0000000 2.7909451 6 Cd 2.1262752 0.0000000 0.0000000 0.0000000 2.7152916 0.0000000 0.0000000 0.0000000 2.7909451 7 O -0.9129226 0.0000000 0.0000000 0.0000000 -3.7626515 0.1937545 0.0000000 0.3906657 -2.4233488 8 O -0.9129226 0.0000000 0.0000000 0.0000000 -3.7626515 -0.1937545 0.0000000 -0.3906657 -2.4233488 9 O -5.2005428 0.0000000 0.0000000 0.0000000 -2.2002189 -0.3491186 0.0000000 -0.1949951 -1.6218677 10 O -5.2005428 0.0000000 0.0000000 0.0000000 -2.2002189 0.3491186 0.0000000 0.1949951 -1.6218677 11 O -2.0478897 0.0000000 0.0000000 0.0000000 -1.7093416 0.0000000 0.0000000 0.0000000 -4.6138879 12 O -2.0478897 0.0000000 0.0000000 0.0000000 -1.7093416 0.0000000 0.0000000 0.0000000 -4.6138879 13 O -5.2005428 0.0000000 0.0000000 0.0000000 -2.2002189 0.3491186 0.0000000 0.1949951 -1.6218677 14 O -0.9129226 0.0000000 0.0000000 0.0000000 -3.7626515 -0.1937545 0.0000000 -0.3906657 -2.4233488 15 O -5.2005428 0.0000000 0.0000000 0.0000000 -2.2002189 -0.3491186 0.0000000 -0.1949951 -1.6218677 16 O -0.9129226 0.0000000 0.0000000 0.0000000 -3.7626515 0.1937545 0.0000000 0.3906657 -2.4233488 ---------------------------------------------------------------------------- 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, 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[ 43, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (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 2026-01-09 03:59:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:59:28]------------------------- 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): [3 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 1.843948615000000 -5.082239080000000 0.000000000000000 b 1.843948615000000 5.082239080000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.587375580000000 Atomic positions (fractional): 1 Ti 0.12943167050865 0.87056832949135 0.43456746060699 47.867 2 Ti 0.12943167050865 0.87056832949135 0.06543253939301 47.867 3 Ti 0.87056832949135 0.12943167050865 0.93456746060699 47.867 4 Ti 0.87056832949135 0.12943167050865 0.56543253939301 47.867 5 Cd 0.19087995834516 0.80912004165484 0.75000000000000 112.411 6 Cd 0.80912004165484 0.19087995834516 0.25000000000000 112.411 7 O 0.04450743703234 0.95549256296766 0.89612999268497 15.999 8 O 0.04450743703234 0.95549256296766 0.60387000731503 15.999 9 O 0.31514784806372 0.68485215193628 0.94803285308493 15.999 10 O 0.31514784806372 0.68485215193628 0.55196714691507 15.999 11 O 0.81508786293920 0.18491213706080 0.75000000000000 15.999 12 O 0.18491213706080 0.81508786293920 0.25000000000000 15.999 13 O 0.68485215193628 0.31514784806372 0.44803285308493 15.999 14 O 0.95549256296766 0.04450743703234 0.39612999268497 15.999 15 O 0.68485215193628 0.31514784806372 0.05196714691507 15.999 16 O 0.95549256296766 0.04450743703234 0.10387000731503 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.063691689999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.164478160000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.587375580000000 Atomic positions (fractional): 1 Ti 0.16666666666667 0.37056832949135 0.43456746060699 47.867 > 1 2 Ti 0.50000000000000 0.37056832949135 0.43456746060699 47.867 > 1 3 Ti 0.83333333333333 0.37056832949135 0.43456746060699 47.867 > 1 4 Ti 0.16666666666667 0.37056832949135 0.06543253939301 47.867 > 4 5 Ti 0.50000000000000 0.37056832949135 0.06543253939301 47.867 > 4 6 Ti 0.83333333333333 0.37056832949135 0.06543253939301 47.867 > 4 7 Ti 0.00000000000000 0.12943167050865 0.93456746060699 47.867 > 7 8 Ti 0.33333333333333 0.12943167050865 0.93456746060699 47.867 > 7 9 Ti 0.66666666666667 0.12943167050865 0.93456746060699 47.867 > 7 10 Ti 0.00000000000000 0.12943167050865 0.56543253939301 47.867 > 10 11 Ti 0.33333333333333 0.12943167050865 0.56543253939301 47.867 > 10 12 Ti 0.66666666666667 0.12943167050865 0.56543253939301 47.867 > 10 13 Ti 0.00000000000000 0.87056832949135 0.43456746060699 47.867 > 1 14 Ti 0.33333333333333 0.87056832949135 0.43456746060699 47.867 > 1 15 Ti 0.66666666666667 0.87056832949135 0.43456746060699 47.867 > 1 16 Ti 0.00000000000000 0.87056832949135 0.06543253939301 47.867 > 4 17 Ti 0.33333333333333 0.87056832949135 0.06543253939301 47.867 > 4 18 Ti 0.66666666666667 0.87056832949135 0.06543253939301 47.867 > 4 19 Ti 0.16666666666667 0.62943167050865 0.93456746060699 47.867 > 7 20 Ti 0.50000000000000 0.62943167050865 0.93456746060699 47.867 > 7 21 Ti 0.83333333333333 0.62943167050865 0.93456746060699 47.867 > 7 22 Ti 0.16666666666667 0.62943167050865 0.56543253939301 47.867 > 10 23 Ti 0.50000000000000 0.62943167050865 0.56543253939301 47.867 > 10 24 Ti 0.83333333333333 0.62943167050865 0.56543253939301 47.867 > 10 25 Cd 0.16666666666667 0.30912004165484 0.75000000000000 112.411 > 25 26 Cd 0.50000000000000 0.30912004165484 0.75000000000000 112.411 > 25 27 Cd 0.83333333333333 0.30912004165484 0.75000000000000 112.411 > 25 28 Cd 0.00000000000000 0.19087995834516 0.25000000000000 112.411 > 28 29 Cd 0.33333333333333 0.19087995834516 0.25000000000000 112.411 > 28 30 Cd 0.66666666666667 0.19087995834516 0.25000000000000 112.411 > 28 31 Cd 0.00000000000000 0.80912004165484 0.75000000000000 112.411 > 25 32 Cd 0.33333333333333 0.80912004165484 0.75000000000000 112.411 > 25 33 Cd 0.66666666666667 0.80912004165484 0.75000000000000 112.411 > 25 34 Cd 0.16666666666667 0.69087995834516 0.25000000000000 112.411 > 28 35 Cd 0.50000000000000 0.69087995834516 0.25000000000000 112.411 > 28 36 Cd 0.83333333333333 0.69087995834516 0.25000000000000 112.411 > 28 37 O 0.16666666666667 0.45549256296766 0.89612999268497 15.999 > 37 38 O 0.50000000000000 0.45549256296766 0.89612999268497 15.999 > 37 39 O 0.83333333333333 0.45549256296766 0.89612999268497 15.999 > 37 40 O 0.16666666666667 0.45549256296766 0.60387000731503 15.999 > 40 41 O 0.50000000000000 0.45549256296766 0.60387000731503 15.999 > 40 42 O 0.83333333333333 0.45549256296766 0.60387000731503 15.999 > 40 43 O 0.16666666666667 0.18485215193628 0.94803285308493 15.999 > 43 44 O 0.50000000000000 0.18485215193628 0.94803285308493 15.999 > 43 45 O 0.83333333333333 0.18485215193628 0.94803285308493 15.999 > 43 46 O 0.16666666666667 0.18485215193628 0.55196714691507 15.999 > 46 47 O 0.50000000000000 0.18485215193628 0.55196714691507 15.999 > 46 48 O 0.83333333333333 0.18485215193628 0.55196714691507 15.999 > 46 49 O 0.00000000000000 0.18491213706080 0.75000000000000 15.999 > 49 50 O 0.33333333333333 0.18491213706080 0.75000000000000 15.999 > 49 51 O 0.66666666666667 0.18491213706080 0.75000000000000 15.999 > 49 52 O 0.16666666666667 0.31508786293920 0.25000000000000 15.999 > 52 53 O 0.50000000000000 0.31508786293920 0.25000000000000 15.999 > 52 54 O 0.83333333333333 0.31508786293920 0.25000000000000 15.999 > 52 55 O 0.00000000000000 0.31514784806372 0.44803285308493 15.999 > 55 56 O 0.33333333333333 0.31514784806372 0.44803285308493 15.999 > 55 57 O 0.66666666666667 0.31514784806372 0.44803285308493 15.999 > 55 58 O 0.00000000000000 0.04450743703234 0.39612999268497 15.999 > 58 59 O 0.33333333333333 0.04450743703234 0.39612999268497 15.999 > 58 60 O 0.66666666666667 0.04450743703234 0.39612999268497 15.999 > 58 61 O 0.00000000000000 0.31514784806372 0.05196714691507 15.999 > 61 62 O 0.33333333333333 0.31514784806372 0.05196714691507 15.999 > 61 63 O 0.66666666666667 0.31514784806372 0.05196714691507 15.999 > 61 64 O 0.00000000000000 0.04450743703234 0.10387000731503 15.999 > 64 65 O 0.33333333333333 0.04450743703234 0.10387000731503 15.999 > 64 66 O 0.66666666666667 0.04450743703234 0.10387000731503 15.999 > 64 67 O 0.00000000000000 0.95549256296766 0.89612999268497 15.999 > 37 68 O 0.33333333333333 0.95549256296766 0.89612999268497 15.999 > 37 69 O 0.66666666666667 0.95549256296766 0.89612999268497 15.999 > 37 70 O 0.00000000000000 0.95549256296766 0.60387000731503 15.999 > 40 71 O 0.33333333333333 0.95549256296766 0.60387000731503 15.999 > 40 72 O 0.66666666666667 0.95549256296766 0.60387000731503 15.999 > 40 73 O 0.00000000000000 0.68485215193628 0.94803285308493 15.999 > 43 74 O 0.33333333333333 0.68485215193628 0.94803285308493 15.999 > 43 75 O 0.66666666666667 0.68485215193628 0.94803285308493 15.999 > 43 76 O 0.00000000000000 0.68485215193628 0.55196714691507 15.999 > 46 77 O 0.33333333333333 0.68485215193628 0.55196714691507 15.999 > 46 78 O 0.66666666666667 0.68485215193628 0.55196714691507 15.999 > 46 79 O 0.16666666666667 0.68491213706080 0.75000000000000 15.999 > 49 80 O 0.50000000000000 0.68491213706080 0.75000000000000 15.999 > 49 81 O 0.83333333333333 0.68491213706080 0.75000000000000 15.999 > 49 82 O 0.00000000000000 0.81508786293920 0.25000000000000 15.999 > 52 83 O 0.33333333333333 0.81508786293920 0.25000000000000 15.999 > 52 84 O 0.66666666666667 0.81508786293920 0.25000000000000 15.999 > 52 85 O 0.16666666666667 0.81514784806372 0.44803285308493 15.999 > 55 86 O 0.50000000000000 0.81514784806372 0.44803285308493 15.999 > 55 87 O 0.83333333333333 0.81514784806372 0.44803285308493 15.999 > 55 88 O 0.16666666666667 0.54450743703234 0.39612999268497 15.999 > 58 89 O 0.50000000000000 0.54450743703234 0.39612999268497 15.999 > 58 90 O 0.83333333333333 0.54450743703234 0.39612999268497 15.999 > 58 91 O 0.16666666666667 0.81514784806372 0.05196714691507 15.999 > 61 92 O 0.50000000000000 0.81514784806372 0.05196714691507 15.999 > 61 93 O 0.83333333333333 0.81514784806372 0.05196714691507 15.999 > 61 94 O 0.16666666666667 0.54450743703234 0.10387000731503 15.999 > 64 95 O 0.50000000000000 0.54450743703234 0.10387000731503 15.999 > 64 96 O 0.83333333333333 0.54450743703234 0.10387000731503 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.8864828 0.0000000 0.0000000 0.0000000 5.8028206 0.0000000 0.0000000 0.0000000 5.5932623 -------------------------- Born effective charges -------------------------- 1 Ti 6.0742726 0.0000000 0.0000000 0.0000000 5.4598954 0.6227692 0.0000000 0.9773303 4.9566880 2 Ti 6.0742726 0.0000000 0.0000000 0.0000000 5.4598954 -0.6227692 0.0000000 -0.9773303 4.9566880 3 Ti 6.0742726 0.0000000 0.0000000 0.0000000 5.4598954 -0.6227692 0.0000000 -0.9773303 4.9566880 4 Ti 6.0742726 0.0000000 0.0000000 0.0000000 5.4598954 0.6227692 0.0000000 0.9773303 4.9566880 5 Cd 2.1262752 0.0000000 0.0000000 0.0000000 2.7152916 0.0000000 0.0000000 0.0000000 2.7909451 6 Cd 2.1262752 0.0000000 0.0000000 0.0000000 2.7152916 0.0000000 0.0000000 0.0000000 2.7909451 7 O -0.9129226 0.0000000 0.0000000 0.0000000 -3.7626515 0.1937545 0.0000000 0.3906657 -2.4233488 8 O -0.9129226 0.0000000 0.0000000 0.0000000 -3.7626515 -0.1937545 0.0000000 -0.3906657 -2.4233488 9 O -5.2005428 0.0000000 0.0000000 0.0000000 -2.2002189 -0.3491186 0.0000000 -0.1949951 -1.6218677 10 O -5.2005428 0.0000000 0.0000000 0.0000000 -2.2002189 0.3491186 0.0000000 0.1949951 -1.6218677 11 O -2.0478897 0.0000000 0.0000000 0.0000000 -1.7093416 0.0000000 0.0000000 0.0000000 -4.6138879 12 O -2.0478897 0.0000000 0.0000000 0.0000000 -1.7093416 0.0000000 0.0000000 0.0000000 -4.6138879 13 O -5.2005428 0.0000000 0.0000000 0.0000000 -2.2002189 0.3491186 0.0000000 0.1949951 -1.6218677 14 O -0.9129226 0.0000000 0.0000000 0.0000000 -3.7626515 -0.1937545 0.0000000 -0.3906657 -2.4233488 15 O -5.2005428 0.0000000 0.0000000 0.0000000 -2.2002189 -0.3491186 0.0000000 -0.1949951 -1.6218677 16 O -0.9129226 0.0000000 0.0000000 0.0000000 -3.7626515 0.1937545 0.0000000 0.3906657 -2.4233488 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 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: 0.71, Number of G-points: 303, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/171) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 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 2.013 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.466 ( 0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 0.000) 0.000 4.279 ( 0.000 0.000 0.000) 0.000 5.088 ( 0.000 0.000 0.000) 0.000 5.142 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 5.956 ( 0.000 0.000 0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.575 ( 0.000 0.000 0.000) 0.000 6.695 ( 0.000 0.000 0.000) 0.000 7.723 ( 0.000 0.000 0.000) 0.000 7.848 ( 0.000 0.000 0.000) 0.000 7.938 ( 0.000 0.000 0.000) 0.000 7.967 ( 0.000 0.000 0.000) 0.000 8.484 ( 0.000 0.000 0.000) 0.000 8.831 ( 0.000 0.000 0.000) 0.000 9.482 ( 0.000 0.000 0.000) 0.000 9.837 ( 0.000 0.000 0.000) 0.000 9.964 ( 0.000 0.000 0.000) 0.000 11.005 ( 0.000 0.000 0.000) 0.000 11.060 ( 0.000 0.000 0.000) 0.000 12.075 ( 0.000 0.000 0.000) 0.000 12.128 ( 0.000 0.000 0.000) 0.000 12.190 ( 0.000 0.000 0.000) 0.000 13.048 ( 0.000 0.000 0.000) 0.000 13.051 ( 0.000 0.000 0.000) 0.000 13.848 ( 0.000 0.000 0.000) 0.000 14.261 ( 0.000 0.000 0.000) 0.000 14.272 ( 0.000 0.000 0.000) 0.000 14.627 ( 0.000 0.000 0.000) 0.000 15.897 ( 0.000 0.000 0.000) 0.000 16.707 ( 0.000 0.000 0.000) 0.000 17.631 ( 0.000 0.000 0.000) 0.000 17.824 ( 0.000 0.000 0.000) 0.000 18.167 ( 0.000 0.000 0.000) 0.000 21.016 ( 0.000 0.000 0.000) 0.000 21.962 ( 0.000 0.000 0.000) 0.000 22.751 ( 0.000 0.000 0.000) 0.000 23.436 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 25.583 -11.182 0.000) 27.920 0.586 ( 25.616 -12.632 0.000) 28.561 1.365 ( 56.677 -17.664 0.000) 59.365 2.055 ( 3.961 -0.321 0.000) 3.974 2.752 ( 10.762 -3.397 0.000) 11.285 3.127 ( 9.879 -2.114 0.000) 10.103 3.372 ( -5.094 1.266 0.000) 5.249 3.466 ( 4.326 4.125 0.000) 5.978 3.535 ( 7.313 4.755 0.000) 8.722 3.837 ( 9.851 0.460 0.000) 9.862 4.347 ( 2.903 -5.838 0.000) 6.520 5.255 ( 16.931 8.781 0.000) 19.073 5.366 ( 22.029 2.078 0.000) 22.127 5.758 ( -1.115 -3.645 0.000) 3.812 6.079 ( 5.430 -4.809 0.000) 7.253 6.125 ( 24.605 -1.596 0.000) 24.657 6.564 ( 28.718 -2.083 0.000) 28.794 6.643 ( 11.236 -2.402 0.000) 11.490 6.738 ( 1.613 -6.098 0.000) 6.307 7.398 ( -14.589 -2.062 0.000) 14.734 7.623 ( -20.362 -2.277 0.000) 20.489 8.271 ( 23.503 5.023 0.000) 24.034 8.409 ( -3.094 2.541 0.000) 4.004 8.547 ( 18.209 23.910 0.000) 30.054 8.959 ( -1.789 -30.324 0.000) 30.377 9.467 ( -4.035 -2.948 0.000) 4.997 9.724 ( -24.790 -11.067 0.000) 27.148 9.830 ( -1.597 -1.384 0.000) 2.113 10.880 ( -12.356 -0.573 0.000) 12.369 11.481 ( -28.934 3.359 0.000) 29.129 12.141 ( -4.267 2.160 0.000) 4.782 12.638 ( 27.789 5.831 0.000) 28.395 12.743 ( -14.069 -0.891 0.000) 14.097 13.190 ( -0.373 -1.240 0.000) 1.295 13.399 ( 7.127 -6.043 0.000) 9.344 13.817 ( -2.585 1.627 0.000) 3.054 14.249 ( -1.202 3.571 0.000) 3.768 14.607 ( -1.671 0.834 0.000) 1.868 15.571 ( -28.434 2.023 0.000) 28.505 16.963 ( -43.552 15.669 0.000) 46.285 17.285 ( 53.747 19.750 0.000) 57.261 17.879 ( 22.874 -9.972 0.000) 24.953 18.924 ( 45.216 6.369 0.000) 45.662 20.968 ( 72.167 197.114 0.000) 209.909 21.169 ( 10.698 -12.418 0.000) 16.390 22.763 ( 1.203 -0.509 0.000) 1.307 23.417 ( -4.432 -7.201 0.000) 8.455 24.020 ( -39.978 -106.913 0.000) 114.143 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 25.332 -9.342 0.000) 27.000 1.151 ( 23.121 -12.090 0.000) 26.091 2.107 ( 8.634 2.963 0.000) 9.128 2.323 ( 23.347 -11.654 0.000) 26.093 3.053 ( 15.522 -4.053 0.000) 16.043 3.311 ( 1.723 2.167 0.000) 2.769 3.322 ( 5.934 3.344 0.000) 6.812 3.672 ( 12.117 11.469 0.000) 16.685 3.779 ( 30.838 -8.586 0.000) 32.011 4.023 ( 8.076 -1.179 0.000) 8.161 4.423 ( 0.021 -7.120 0.000) 7.120 5.386 ( 2.113 14.741 0.000) 14.891 5.769 ( 1.240 0.371 0.000) 1.294 5.943 ( 34.987 -0.815 0.000) 34.996 6.184 ( 4.617 1.443 0.000) 4.838 6.362 ( -3.641 -10.799 0.000) 11.396 6.770 ( -6.720 -9.278 0.000) 11.456 7.235 ( 14.398 7.479 0.000) 16.224 7.287 ( 30.310 3.730 0.000) 30.539 7.481 ( 43.622 -5.502 0.000) 43.968 7.587 ( 39.245 -11.356 0.000) 40.854 8.134 ( -9.774 14.036 0.000) 17.104 8.484 ( -8.483 3.847 0.000) 9.315 8.751 ( 10.495 -4.406 0.000) 11.382 9.371 ( 14.080 1.014 0.000) 14.117 9.386 ( 8.925 -0.899 0.000) 8.970 9.445 ( -2.999 -18.521 0.000) 18.763 9.786 ( -2.810 1.254 0.000) 3.077 10.579 ( -18.124 -1.205 0.000) 18.164 10.978 ( -22.383 -5.807 0.000) 23.124 11.999 ( -8.316 3.160 0.000) 8.897 12.554 ( -6.384 0.990 0.000) 6.460 13.082 ( 22.237 5.568 0.000) 22.923 13.097 ( -9.473 -2.752 0.000) 9.865 13.600 ( 6.221 -1.528 0.000) 6.406 13.748 ( 1.360 4.293 0.000) 4.503 14.174 ( -3.167 5.464 0.000) 6.316 14.554 ( -3.144 0.614 0.000) 3.204 14.923 ( -33.114 5.365 0.000) 33.545 16.083 ( -35.977 13.302 0.000) 38.358 17.869 ( 26.347 31.308 0.000) 40.919 18.828 ( 56.573 -14.884 0.000) 58.498 19.591 ( 28.955 12.957 0.000) 31.722 21.037 ( 40.726 90.805 0.000) 99.519 21.560 ( 16.932 -18.280 0.000) 24.917 22.811 ( 3.260 -1.572 0.000) 3.619 23.372 ( -7.000 -12.226 0.000) 14.088 23.982 ( -20.687 -49.228 0.000) 53.398 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 17.618 -11.156 0.000) 20.853 1.643 ( 19.928 -6.689 0.000) 21.021 2.231 ( 8.861 4.012 0.000) 9.727 2.684 ( 10.991 -3.800 0.000) 11.629 3.260 ( 8.302 9.186 0.000) 12.382 3.391 ( 4.526 1.802 0.000) 4.872 3.511 ( 15.953 -3.434 0.000) 16.318 3.811 ( 10.135 13.448 0.000) 16.840 4.096 ( 1.210 -1.284 0.000) 1.765 4.434 ( -3.741 -4.167 0.000) 5.600 4.539 ( 27.701 -15.293 0.000) 31.643 5.171 ( -10.696 11.968 0.000) 16.051 5.843 ( 8.892 0.970 0.000) 8.945 6.216 ( 0.880 6.170 0.000) 6.233 6.303 ( -6.700 -21.203 0.000) 22.236 6.636 ( -11.430 -14.076 0.000) 18.133 6.676 ( 35.237 1.551 0.000) 35.271 7.449 ( 15.173 -2.444 0.000) 15.369 7.814 ( 12.094 9.655 0.000) 15.475 7.904 ( 17.743 0.192 0.000) 17.745 8.150 ( -6.428 7.156 0.000) 9.619 8.563 ( 9.497 -12.183 0.000) 15.448 8.874 ( 43.295 -7.276 0.000) 43.902 8.878 ( 60.188 -6.142 0.000) 60.500 9.247 ( -4.847 5.529 0.000) 7.353 9.715 ( -2.349 2.513 0.000) 3.440 9.934 ( 24.103 8.639 0.000) 25.605 10.005 ( 42.828 -5.083 0.000) 43.128 10.256 ( -12.499 -1.279 0.000) 12.564 10.763 ( -4.498 -18.150 0.000) 18.699 11.776 ( -12.110 3.508 0.000) 12.608 12.432 ( -5.302 4.574 0.000) 7.002 12.892 ( -13.620 -3.753 0.000) 14.128 13.424 ( 15.663 6.009 0.000) 16.776 13.499 ( -7.649 4.614 0.000) 8.933 13.949 ( 15.642 3.298 0.000) 15.986 14.062 ( -3.967 5.626 0.000) 6.884 14.275 ( -28.117 7.694 0.000) 29.150 14.487 ( -3.601 -0.974 0.000) 3.731 15.395 ( -26.162 11.374 0.000) 28.527 18.053 ( 13.905 23.177 0.000) 27.028 19.856 ( 13.156 23.225 0.000) 26.693 19.915 ( 45.208 -4.860 0.000) 45.468 21.271 ( 31.272 45.669 0.000) 55.350 22.020 ( 16.533 -16.463 0.000) 23.331 22.918 ( 5.793 -3.677 0.000) 6.862 23.328 ( -7.061 -14.621 0.000) 16.237 23.910 ( -15.265 -29.333 0.000) 33.067 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 10.460 -6.943 0.000) 12.555 1.990 ( 12.124 -9.524 0.000) 15.417 2.434 ( 15.014 4.909 0.000) 15.796 2.878 ( 8.339 -0.184 0.000) 8.341 3.322 ( 4.664 11.337 0.000) 12.259 3.477 ( 3.514 -2.821 0.000) 4.507 3.782 ( 12.652 23.774 0.000) 26.931 3.873 ( 4.069 -9.253 0.000) 10.108 4.081 ( -3.082 -2.122 0.000) 3.742 4.353 ( -4.729 -2.419 0.000) 5.312 4.915 ( 4.517 -3.897 0.000) 5.966 4.915 ( -7.899 9.308 0.000) 12.208 6.117 ( 7.689 4.599 0.000) 8.959 6.213 ( 11.548 -8.993 0.000) 14.637 6.454 ( 5.674 -27.213 0.000) 27.798 6.581 ( -2.611 -8.938 0.000) 9.311 7.144 ( 10.230 5.430 0.000) 11.581 7.767 ( 10.175 -3.425 0.000) 10.735 7.943 ( 27.022 7.451 0.000) 28.031 7.986 ( -1.034 4.328 0.000) 4.449 8.474 ( -10.771 -24.578 0.000) 26.834 8.578 ( 29.196 -7.889 0.000) 30.243 9.099 ( -4.228 7.464 0.000) 8.579 9.634 ( -0.780 6.521 0.000) 6.568 9.838 ( 2.632 0.250 0.000) 2.644 10.059 ( 58.499 10.514 0.000) 59.436 10.080 ( 16.746 -6.921 0.000) 18.120 10.289 ( 21.252 2.351 0.000) 21.382 10.936 ( 43.640 -1.695 0.000) 43.673 11.238 ( 36.255 -15.239 0.000) 39.328 11.534 ( -6.177 0.302 0.000) 6.184 12.256 ( -9.354 5.906 0.000) 11.063 12.647 ( -12.237 -2.088 0.000) 12.414 13.226 ( -12.039 7.308 0.000) 14.083 13.707 ( 15.174 6.214 0.000) 16.398 13.737 ( -20.453 8.450 0.000) 22.130 13.972 ( -1.984 4.121 0.000) 4.574 14.229 ( 15.132 3.844 0.000) 15.613 14.436 ( -2.471 -1.373 0.000) 2.827 14.911 ( -16.467 8.000 0.000) 18.307 18.111 ( 7.196 17.086 0.000) 18.540 19.855 ( 5.235 23.044 0.000) 23.631 20.615 ( 25.490 -1.031 0.000) 25.511 21.531 ( 19.427 23.686 0.000) 30.634 22.398 ( 12.497 -10.482 0.000) 16.311 23.068 ( 5.245 -5.819 0.000) 7.834 23.311 ( -5.091 -14.427 0.000) 15.299 23.806 ( -12.733 -18.619 0.000) 22.556 ======================= Grid point 5 (6/171) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 9.378 -10.125 0.000) 13.801 2.240 ( 7.779 -7.096 0.000) 10.529 2.687 ( 13.623 5.341 0.000) 14.633 3.018 ( 6.522 1.606 0.000) 6.717 3.271 ( -1.628 5.969 0.000) 6.187 3.541 ( -0.004 -4.206 0.000) 4.206 3.792 ( 8.548 17.553 0.000) 19.524 4.041 ( 4.738 -0.355 0.000) 4.752 4.047 ( -1.232 -3.245 0.000) 3.471 4.323 ( -1.786 -5.587 0.000) 5.865 4.721 ( -4.502 9.561 0.000) 10.568 4.897 ( -3.927 1.957 0.000) 4.388 6.092 ( -0.791 5.956 0.000) 6.008 6.439 ( -3.533 -7.446 0.000) 8.242 6.800 ( 8.267 -15.585 0.000) 17.642 6.875 ( 28.515 -3.538 0.000) 28.734 7.192 ( 3.576 -3.128 0.000) 4.751 7.766 ( -2.760 2.600 0.000) 3.792 8.124 ( 5.692 -8.364 0.000) 10.117 8.443 ( 3.478 -14.769 0.000) 15.173 8.650 ( 33.114 -7.537 0.000) 33.961 8.972 ( -3.483 7.324 0.000) 8.110 9.203 ( 27.593 -7.388 0.000) 28.565 9.592 ( 1.670 5.553 0.000) 5.799 9.765 ( -4.911 -3.248 0.000) 5.888 10.102 ( -6.489 -11.551 0.000) 13.249 10.580 ( 2.356 21.155 0.000) 21.286 10.937 ( 28.689 11.687 0.000) 30.978 11.285 ( 3.655 4.382 0.000) 5.706 11.898 ( 14.094 -1.781 0.000) 14.206 12.015 ( -3.077 -4.772 0.000) 5.678 12.095 ( 36.333 -14.057 0.000) 38.957 12.640 ( 18.230 1.810 0.000) 18.320 12.980 ( -5.884 8.088 0.000) 10.002 13.376 ( -10.748 5.424 0.000) 12.039 13.943 ( 13.111 4.811 0.000) 13.966 13.945 ( 2.019 4.135 0.000) 4.602 14.320 ( -5.205 2.398 0.000) 5.731 14.520 ( 12.984 5.698 0.000) 14.179 14.689 ( -2.404 -0.458 0.000) 2.448 18.107 ( 3.194 11.603 0.000) 12.035 19.776 ( 1.726 16.907 0.000) 16.994 20.960 ( 11.007 0.015 0.000) 11.007 21.672 ( 8.092 11.535 0.000) 14.090 22.659 ( 9.120 -5.318 0.000) 10.558 23.166 ( 0.125 -5.816 0.000) 5.818 23.332 ( -2.451 -11.947 0.000) 12.196 23.684 ( -10.315 -10.731 0.000) 14.884 ======================= Grid point 6 (7/171) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 3.644 -3.618 0.000) 5.135 2.458 ( 7.172 -8.327 0.000) 10.990 2.870 ( 8.347 3.183 0.000) 8.934 3.097 ( 2.854 2.183 0.000) 3.593 3.252 ( 1.714 -0.390 0.000) 1.757 3.535 ( -2.229 -2.052 0.000) 3.029 3.859 ( 9.874 16.634 0.000) 19.344 4.034 ( -6.520 -6.037 0.000) 8.886 4.095 ( 2.582 -4.648 0.000) 5.317 4.339 ( -0.258 -3.898 0.000) 3.906 4.632 ( 1.063 7.955 0.000) 8.026 4.806 ( -3.363 1.440 0.000) 3.659 5.991 ( -4.001 8.474 0.000) 9.371 6.398 ( -2.581 -3.044 0.000) 3.991 6.883 ( -0.377 1.632 0.000) 1.675 7.388 ( 5.585 -11.749 0.000) 13.009 7.427 ( 25.629 7.251 0.000) 26.635 7.729 ( -2.621 -6.454 0.000) 6.966 8.251 ( 1.548 -11.243 0.000) 11.349 8.706 ( 11.699 -21.493 0.000) 24.470 8.865 ( -2.093 7.409 0.000) 7.699 9.358 ( 32.535 0.139 0.000) 32.536 9.583 ( -1.818 0.325 0.000) 1.847 9.693 ( -4.595 -2.763 0.000) 5.361 9.711 ( 18.060 -0.396 0.000) 18.064 10.117 ( 1.410 -6.629 0.000) 6.777 10.273 ( -11.620 8.745 0.000) 14.543 11.037 ( -19.997 10.957 0.000) 22.802 11.142 ( 3.664 10.401 0.000) 11.028 11.602 ( -18.201 1.106 0.000) 18.235 12.444 ( 18.220 -3.776 0.000) 18.607 12.701 ( 14.477 -11.955 0.000) 18.775 12.928 ( 6.412 8.683 0.000) 10.794 12.976 ( 4.908 3.937 0.000) 6.292 13.390 ( 15.478 -4.167 0.000) 16.029 13.976 ( 3.806 5.151 0.000) 6.404 14.094 ( 2.425 3.609 0.000) 4.348 14.221 ( 0.614 1.165 0.000) 1.317 14.686 ( 7.217 -0.063 0.000) 7.217 14.775 ( 7.185 1.763 0.000) 7.398 18.084 ( 1.109 5.980 0.000) 6.082 19.702 ( 0.325 8.818 0.000) 8.824 21.088 ( 3.323 0.166 0.000) 3.327 21.704 ( 1.674 4.263 0.000) 4.580 22.836 ( 6.697 -1.789 0.000) 6.932 23.156 ( -4.113 -3.915 0.000) 5.678 23.380 ( 0.071 -7.895 0.000) 7.895 23.565 ( -6.992 -3.724 0.000) 7.921 ======================= Grid point 7 (8/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 0.000 -0.000 0.000) 0.000 2.563 ( 0.000 -0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 3.108 ( 0.000 0.000 0.000) 0.000 3.285 ( 0.000 -0.000 0.000) 0.000 3.516 ( 0.000 -0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.954 ( -0.000 -0.000 0.000) 0.000 4.152 ( 0.000 -0.000 0.000) 0.000 4.356 ( 0.000 -0.000 0.000) 0.000 4.617 ( 0.000 -0.000 0.000) 0.000 4.766 ( 0.000 -0.000 0.000) 0.000 5.901 ( 0.000 -0.000 0.000) 0.000 6.387 ( 0.000 -0.000 0.000) 0.000 6.866 ( 0.000 -0.000 0.000) 0.000 7.481 ( 0.000 0.000 0.000) 0.000 7.656 ( 0.000 0.000 0.000) 0.000 7.732 ( -0.000 -0.000 0.000) 0.000 8.333 ( 0.000 0.000 0.000) 0.000 8.807 ( -0.000 -0.000 0.000) 0.000 9.000 ( -0.000 0.000 0.000) 0.000 9.540 ( 0.000 0.000 0.000) 0.000 9.658 ( 0.000 -0.000 0.000) 0.000 9.709 ( 0.000 -0.000 0.000) 0.000 9.735 ( 0.000 0.000 0.000) 0.000 10.175 ( 0.000 -0.000 0.000) 0.000 10.373 ( 0.000 -0.000 0.000) 0.000 10.601 ( -0.000 0.000 0.000) 0.000 11.107 ( 0.000 -0.000 0.000) 0.000 11.384 ( 0.000 -0.000 0.000) 0.000 12.639 ( 0.000 -0.000 0.000) 0.000 12.845 ( 0.000 0.000 0.000) 0.000 12.969 ( 0.000 -0.000 0.000) 0.000 13.007 ( 0.000 -0.000 0.000) 0.000 13.623 ( 0.000 0.000 0.000) 0.000 13.993 ( 0.000 -0.000 0.000) 0.000 14.072 ( 0.000 -0.000 0.000) 0.000 14.254 ( 0.000 -0.000 0.000) 0.000 14.782 ( 0.000 0.000 0.000) 0.000 14.835 ( 0.000 -0.000 0.000) 0.000 18.073 ( 0.000 -0.000 0.000) 0.000 19.673 ( 0.000 0.000 0.000) 0.000 21.115 ( 0.000 -0.000 0.000) 0.000 21.701 ( 0.000 -0.000 0.000) 0.000 22.922 ( 0.000 -0.000 0.000) 0.000 23.111 ( 0.000 -0.000 0.000) 0.000 23.429 ( 0.000 -0.000 0.000) 0.000 23.489 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 16 (9/171) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 25.434 0.000 0.000) 25.434 1.070 ( 28.074 0.000 0.000) 28.074 2.148 ( 5.814 0.000 0.000) 5.814 2.217 ( 32.052 0.000 0.000) 32.052 3.018 ( 17.429 0.000 0.000) 17.429 3.329 ( 0.592 0.000 0.000) 0.592 3.341 ( 7.687 0.000 0.000) 7.687 3.729 ( 26.730 0.000 0.000) 26.730 3.767 ( 14.381 0.000 0.000) 14.381 4.012 ( 6.817 0.000 0.000) 6.817 4.358 ( -0.258 -0.000 0.000) 0.258 5.505 ( 1.909 0.000 0.000) 1.909 5.766 ( 2.057 0.000 0.000) 2.057 5.918 ( 28.058 0.000 0.000) 28.058 6.177 ( 6.099 0.000 0.000) 6.099 6.293 ( 0.721 0.000 0.000) 0.721 6.720 ( -5.613 -0.000 0.000) 5.613 7.316 ( 11.251 0.000 0.000) 11.251 7.317 ( -5.874 -0.000 0.000) 5.874 7.430 ( 62.655 0.000 0.000) 62.655 7.475 ( 60.141 0.000 0.000) 60.141 8.258 ( -9.516 -0.000 0.000) 9.516 8.517 ( -13.539 -0.000 0.000) 13.539 8.709 ( 1.626 0.000 0.000) 1.626 9.306 ( 5.279 0.000 0.000) 5.279 9.358 ( 35.121 0.000 0.000) 35.121 9.396 ( -3.982 -0.000 0.000) 3.982 9.796 ( -1.490 -0.000 0.000) 1.490 10.570 ( -18.168 -0.000 0.000) 18.168 10.937 ( -25.820 -0.000 0.000) 25.820 12.023 ( -8.600 -0.000 0.000) 8.600 12.559 ( -5.444 -0.000 0.000) 5.444 13.076 ( -9.742 -0.000 0.000) 9.742 13.126 ( 21.643 0.000 0.000) 21.643 13.587 ( 8.137 0.000 0.000) 8.137 13.773 ( 0.464 0.000 0.000) 0.464 14.214 ( -3.617 -0.000 0.000) 3.617 14.561 ( -3.288 -0.000 0.000) 3.288 14.961 ( -32.878 -0.000 0.000) 32.878 16.179 ( -38.929 -0.000 0.000) 38.929 18.148 ( 13.256 0.000 0.000) 13.256 18.673 ( 68.922 0.000 0.000) 68.922 19.678 ( 30.205 0.000 0.000) 30.205 21.422 ( 18.847 0.000 0.000) 18.847 22.016 ( 5.330 0.000 0.000) 5.330 22.801 ( 3.064 0.000 0.000) 3.064 23.061 ( -11.238 -0.000 0.000) 11.238 23.563 ( 1.184 0.000 0.000) 1.184 ======================= Grid point 17 (10/171) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 19.857 -4.101 0.000) 20.276 1.581 ( 22.030 -2.144 0.000) 22.134 2.279 ( 9.285 2.240 0.000) 9.551 2.641 ( 14.237 -1.883 0.000) 14.361 3.356 ( 11.901 5.204 0.000) 12.989 3.410 ( 1.907 0.780 0.000) 2.060 3.430 ( 13.357 -5.570 0.000) 14.471 4.037 ( 15.310 13.672 0.000) 20.527 4.082 ( 0.454 -0.548 0.000) 0.712 4.340 ( -3.578 -7.849 0.000) 8.626 4.384 ( 31.395 -5.918 0.000) 31.948 5.292 ( -16.428 4.708 0.000) 17.089 5.844 ( 6.870 -0.242 0.000) 6.874 6.086 ( -7.051 -8.359 0.000) 10.935 6.286 ( 4.734 2.835 0.000) 5.518 6.499 ( -13.999 -4.901 0.000) 14.832 6.688 ( 33.900 0.310 0.000) 33.901 7.427 ( 13.642 -0.754 0.000) 13.663 7.802 ( 32.875 -2.258 0.000) 32.952 8.037 ( -6.598 8.655 0.000) 10.883 8.219 ( -8.912 2.403 0.000) 9.230 8.409 ( -16.868 -7.913 0.000) 18.631 8.812 ( 70.358 -2.080 0.000) 70.389 8.816 ( 67.490 -2.302 0.000) 67.529 9.303 ( -4.746 2.110 0.000) 5.194 9.737 ( -1.429 0.677 0.000) 1.581 9.963 ( 47.269 -1.313 0.000) 47.287 10.055 ( 22.765 6.378 0.000) 23.642 10.254 ( -4.151 1.378 0.000) 4.374 10.545 ( -14.180 -11.179 0.000) 18.056 11.811 ( -12.733 1.354 0.000) 12.805 12.473 ( -4.582 1.372 0.000) 4.783 12.849 ( -13.535 -1.828 0.000) 13.657 13.494 ( 16.264 3.283 0.000) 16.592 13.532 ( -7.598 0.666 0.000) 7.627 13.968 ( 14.615 0.004 0.000) 14.615 14.121 ( -4.715 2.298 0.000) 5.245 14.349 ( -28.691 2.682 0.000) 28.817 14.489 ( -3.592 0.547 0.000) 3.634 15.505 ( -28.889 4.045 0.000) 29.171 18.296 ( 6.946 9.734 0.000) 11.959 19.864 ( 50.098 -2.053 0.000) 50.140 20.065 ( 12.432 7.064 0.000) 14.299 21.842 ( 20.242 -7.272 0.000) 21.509 21.982 ( 14.960 47.343 0.000) 49.651 22.886 ( 5.353 -1.019 0.000) 5.450 22.979 ( -12.919 -33.327 0.000) 35.744 23.600 ( -2.674 -10.660 0.000) 10.990 ======================= Grid point 18 (11/171) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 14.253 -5.326 0.000) 15.216 1.899 ( 9.286 -3.780 0.000) 10.026 2.503 ( 15.703 4.288 0.000) 16.278 2.874 ( 9.844 -0.329 0.000) 9.850 3.442 ( 1.190 -1.963 0.000) 2.296 3.460 ( 4.820 8.545 0.000) 9.811 3.743 ( 7.136 -8.311 0.000) 10.954 4.056 ( -2.912 -1.281 0.000) 3.181 4.065 ( 2.688 12.972 0.000) 13.247 4.357 ( 1.722 4.025 0.000) 4.378 4.856 ( 11.791 -3.746 0.000) 12.372 5.010 ( -8.335 3.760 0.000) 9.143 6.077 ( 15.075 -5.309 0.000) 15.983 6.115 ( 4.109 -18.811 0.000) 19.255 6.206 ( -5.535 3.204 0.000) 6.395 6.483 ( 6.108 -4.843 0.000) 7.795 7.211 ( 14.457 3.618 0.000) 14.903 7.722 ( 12.408 -2.439 0.000) 12.646 8.027 ( 15.621 3.635 0.000) 16.039 8.047 ( -4.927 3.446 0.000) 6.013 8.198 ( -7.885 -13.436 0.000) 15.579 8.491 ( 31.913 -4.283 0.000) 32.199 9.186 ( -4.529 4.592 0.000) 6.450 9.697 ( -1.394 1.658 0.000) 2.166 9.862 ( -4.035 3.630 0.000) 5.428 10.004 ( 15.220 -3.883 0.000) 15.707 10.174 ( 66.434 5.534 0.000) 66.664 10.322 ( 29.025 2.152 0.000) 29.105 10.931 ( 47.080 0.698 0.000) 47.085 11.051 ( 39.311 -10.587 0.000) 40.712 11.531 ( -13.478 -0.554 0.000) 13.489 12.307 ( -12.140 1.695 0.000) 12.258 12.621 ( -9.599 -1.369 0.000) 9.696 13.297 ( -12.359 3.040 0.000) 12.728 13.789 ( 15.167 4.887 0.000) 15.935 13.828 ( -22.117 4.403 0.000) 22.551 14.026 ( -2.483 3.037 0.000) 3.923 14.238 ( 10.720 -1.901 0.000) 10.887 14.446 ( 2.057 2.283 0.000) 3.073 15.002 ( -19.981 4.619 0.000) 20.508 18.309 ( 2.144 10.272 0.000) 10.493 20.108 ( 0.810 12.285 0.000) 12.311 20.614 ( 27.460 0.524 0.000) 27.465 21.955 ( 11.291 35.838 0.000) 37.574 22.258 ( 16.322 -8.219 0.000) 18.275 23.003 ( -7.497 -30.003 0.000) 30.925 23.009 ( 5.277 -2.618 0.000) 5.890 23.598 ( -4.700 -9.569 0.000) 10.661 ======================= Grid point 19 (12/171) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 7.635 -8.184 0.000) 11.193 2.154 ( 10.066 -4.941 0.000) 11.213 2.761 ( 12.731 4.754 0.000) 13.589 3.038 ( 7.327 1.153 0.000) 7.417 3.367 ( -5.849 7.936 0.000) 9.858 3.479 ( 0.025 -4.338 0.000) 4.339 3.804 ( -1.827 -8.622 0.000) 8.813 4.019 ( -1.072 -0.927 0.000) 1.417 4.160 ( 8.119 3.585 0.000) 8.876 4.313 ( -0.540 10.008 0.000) 10.022 4.857 ( -3.163 9.066 0.000) 9.602 4.925 ( -2.393 1.935 0.000) 3.077 6.146 ( 0.217 2.341 0.000) 2.351 6.340 ( 3.193 -6.998 0.000) 7.692 6.506 ( 17.442 -21.221 0.000) 27.469 6.817 ( 27.229 -3.314 0.000) 27.430 7.248 ( 0.359 7.315 0.000) 7.324 7.806 ( -3.551 2.018 0.000) 4.084 8.035 ( 2.245 -3.980 0.000) 4.570 8.152 ( -2.968 -21.286 0.000) 21.492 8.647 ( 38.341 2.357 0.000) 38.413 9.071 ( -3.221 6.343 0.000) 7.114 9.118 ( 28.930 -4.702 0.000) 29.310 9.662 ( -1.211 1.597 0.000) 2.004 9.724 ( -5.054 0.350 0.000) 5.066 9.969 ( -4.714 -7.566 0.000) 8.914 10.870 ( -2.668 19.046 0.000) 19.232 11.119 ( 34.229 13.914 0.000) 36.949 11.347 ( 15.111 4.721 0.000) 15.832 11.799 ( 26.570 -10.197 0.000) 28.459 11.880 ( 34.328 -16.052 0.000) 37.896 11.991 ( -19.154 -0.707 0.000) 19.167 12.644 ( 16.509 -0.558 0.000) 16.519 13.065 ( -6.905 4.136 0.000) 8.049 13.441 ( -14.356 3.722 0.000) 14.830 14.004 ( 2.946 3.912 0.000) 4.897 14.017 ( 12.057 5.511 0.000) 13.257 14.321 ( -2.053 -1.866 0.000) 2.774 14.603 ( 12.801 5.529 0.000) 13.944 14.689 ( -7.792 0.444 0.000) 7.805 18.251 ( -1.023 8.381 0.000) 8.443 19.982 ( -4.019 11.783 0.000) 12.449 20.973 ( 11.883 1.592 0.000) 11.989 21.893 ( 2.543 19.582 0.000) 19.746 22.579 ( 11.884 -5.661 0.000) 13.163 23.097 ( 0.977 -3.771 0.000) 3.896 23.101 ( -1.148 -20.600 0.000) 20.632 23.562 ( -4.503 -6.253 0.000) 7.705 ======================= Grid point 20 (13/171) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 8.942 -10.145 0.000) 13.523 2.342 ( 6.334 -2.945 0.000) 6.985 2.911 ( 5.432 2.372 0.000) 5.928 3.133 ( 3.462 2.479 0.000) 4.258 3.263 ( -0.251 2.202 0.000) 2.216 3.498 ( -0.683 -3.325 0.000) 3.395 3.798 ( -7.886 -13.212 0.000) 15.386 4.045 ( 2.929 -1.959 0.000) 3.524 4.189 ( 2.192 15.676 0.000) 15.828 4.283 ( 1.323 -3.595 0.000) 3.831 4.757 ( -1.668 9.086 0.000) 9.237 4.835 ( -3.771 2.526 0.000) 4.539 6.100 ( -3.644 6.860 0.000) 7.768 6.373 ( 0.301 -1.071 0.000) 1.113 6.848 ( 3.535 -6.392 0.000) 7.305 7.317 ( 12.150 2.133 0.000) 12.336 7.423 ( 26.102 -5.781 0.000) 26.734 7.691 ( -5.495 -0.718 0.000) 5.542 8.091 ( -0.785 -9.653 0.000) 9.684 8.383 ( 11.182 -23.600 0.000) 26.115 8.978 ( -1.338 7.984 0.000) 8.096 9.368 ( 34.420 1.342 0.000) 34.446 9.605 ( -3.183 2.922 0.000) 4.321 9.646 ( -3.446 -4.277 0.000) 5.492 9.667 ( 23.983 -4.550 0.000) 24.411 10.044 ( 6.536 -3.628 0.000) 7.476 10.435 ( -22.479 12.111 0.000) 25.534 11.204 ( -17.879 12.489 0.000) 21.809 11.335 ( 2.543 16.365 0.000) 16.562 11.609 ( -18.728 -0.089 0.000) 18.728 12.380 ( 21.800 -5.160 0.000) 22.403 12.502 ( 16.172 -16.247 0.000) 22.923 13.016 ( 5.617 2.755 0.000) 6.256 13.016 ( 5.419 2.910 0.000) 6.150 13.307 ( 6.040 -6.120 0.000) 8.599 14.067 ( 6.005 6.717 0.000) 9.010 14.142 ( 1.116 3.164 0.000) 3.355 14.249 ( -0.723 2.453 0.000) 2.557 14.659 ( 4.086 -3.199 0.000) 5.189 14.825 ( 9.335 4.537 0.000) 10.379 18.163 ( -2.985 4.927 0.000) 5.760 19.815 ( -5.835 6.996 0.000) 9.109 21.103 ( 3.866 1.794 0.000) 4.262 21.799 ( -1.319 8.974 0.000) 9.071 22.808 ( 9.033 -2.189 0.000) 9.295 23.099 ( -2.971 -3.852 0.000) 4.865 23.239 ( 3.549 -11.766 0.000) 12.290 23.520 ( -2.944 -2.641 0.000) 3.955 ======================= Grid point 21 (14/171) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 2.499 0.162 0.000) 2.504 2.516 ( 3.995 -5.891 0.000) 7.118 2.942 ( -1.882 -0.810 0.000) 2.049 3.133 ( -0.954 2.954 0.000) 3.104 3.283 ( 0.847 -0.576 0.000) 1.025 3.514 ( 1.142 -0.751 0.000) 1.366 3.690 ( -13.237 -17.229 0.000) 21.727 4.136 ( 3.664 -1.770 0.000) 4.069 4.145 ( 3.754 12.259 0.000) 12.821 4.347 ( 3.223 -1.098 0.000) 3.405 4.636 ( -6.262 2.383 0.000) 6.700 4.776 ( -0.573 1.331 0.000) 1.449 5.934 ( -6.446 4.541 0.000) 7.885 6.407 ( 3.456 2.664 0.000) 4.363 6.852 ( -2.450 -1.822 0.000) 3.053 7.495 ( -14.825 -14.415 0.000) 20.678 7.538 ( 11.326 7.936 0.000) 13.829 7.844 ( 9.592 7.599 0.000) 12.237 8.213 ( 5.129 -14.199 0.000) 15.097 8.851 ( 17.090 -18.516 0.000) 25.197 8.882 ( -2.872 8.410 0.000) 8.887 9.575 ( 1.620 2.368 0.000) 2.869 9.646 ( 3.497 0.640 0.000) 3.555 9.720 ( -8.435 2.157 0.000) 8.706 9.831 ( -8.340 10.387 0.000) 13.321 10.178 ( 4.307 0.249 0.000) 4.314 10.294 ( 20.955 -8.252 0.000) 22.522 10.710 ( -19.355 12.196 0.000) 22.877 11.180 ( -4.728 10.041 0.000) 11.099 11.381 ( -1.179 -0.399 0.000) 1.245 12.625 ( 1.265 -1.900 0.000) 2.283 12.743 ( 0.313 -12.292 0.000) 12.296 12.980 ( -2.814 1.650 0.000) 3.262 13.039 ( -1.773 2.794 0.000) 3.309 13.523 ( 0.645 -11.669 0.000) 11.687 14.068 ( -1.569 8.269 0.000) 8.417 14.069 ( -3.418 -0.322 0.000) 3.434 14.270 ( 0.984 2.147 0.000) 2.362 14.750 ( 0.444 -3.304 0.000) 3.333 14.872 ( -1.564 3.811 0.000) 4.120 18.074 ( -4.217 0.073 0.000) 4.218 19.672 ( -6.323 -0.209 0.000) 6.327 21.128 ( 0.475 1.695 0.000) 1.760 21.729 ( -1.344 3.689 0.000) 3.926 22.926 ( 0.593 0.567 0.000) 0.820 23.096 ( 2.946 -1.943 0.000) 3.530 23.404 ( 7.655 -3.279 0.000) 8.328 23.491 ( -0.455 0.204 0.000) 0.499 ======================= Grid point 22 (15/171) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -1.154 3.199 0.000) 3.401 2.532 ( -3.957 1.853 0.000) 4.369 2.836 ( -9.464 -1.214 0.000) 9.541 3.080 ( -3.350 -0.057 0.000) 3.350 3.253 ( -4.910 -2.390 0.000) 5.461 3.556 ( 3.036 0.777 0.000) 3.134 3.562 ( -12.714 -19.280 0.000) 23.095 4.151 ( 3.034 6.836 0.000) 7.479 4.159 ( -0.687 3.902 0.000) 3.962 4.385 ( -0.239 2.368 0.000) 2.380 4.548 ( -0.958 -3.767 0.000) 3.887 4.796 ( 2.852 -0.058 0.000) 2.852 5.878 ( 0.281 -6.719 0.000) 6.725 6.464 ( 5.943 6.266 0.000) 8.636 6.830 ( -1.855 -4.747 0.000) 5.096 7.250 ( -21.825 -16.163 0.000) 27.158 7.602 ( 3.322 17.131 0.000) 17.450 7.838 ( -1.766 7.534 0.000) 7.738 8.347 ( 1.185 0.274 0.000) 1.216 8.807 ( 0.436 0.854 0.000) 0.958 8.966 ( -10.311 14.808 0.000) 18.044 9.345 ( -24.888 -3.283 0.000) 25.104 9.568 ( -2.536 -2.738 0.000) 3.732 9.661 ( -8.075 -5.558 0.000) 9.803 9.758 ( 7.397 7.591 0.000) 10.599 10.216 ( 4.414 6.661 0.000) 7.991 10.249 ( -7.516 5.744 0.000) 9.459 10.899 ( 22.242 -8.684 0.000) 23.877 11.061 ( -6.259 -0.523 0.000) 6.281 11.580 ( 16.862 -1.929 0.000) 16.972 12.478 ( -15.626 0.694 0.000) 15.642 12.765 ( -6.636 -13.839 0.000) 15.348 12.840 ( -15.001 7.245 0.000) 16.659 12.920 ( -7.096 -3.439 0.000) 7.886 13.390 ( -17.655 -4.435 0.000) 18.204 13.949 ( -4.420 1.541 0.000) 4.681 14.039 ( -3.027 -4.173 0.000) 5.156 14.223 ( -3.344 1.402 0.000) 3.626 14.666 ( -10.236 -2.030 0.000) 10.435 14.774 ( -5.188 0.696 0.000) 5.235 18.001 ( -5.447 -5.744 0.000) 7.916 19.577 ( -6.710 -8.654 0.000) 10.950 21.099 ( -2.641 1.665 0.000) 3.122 21.678 ( -3.178 0.364 0.000) 3.198 22.858 ( -5.216 1.318 0.000) 5.380 23.203 ( 6.176 2.727 0.000) 6.751 23.461 ( 0.942 3.979 0.000) 4.089 23.617 ( 12.120 3.297 0.000) 12.561 ======================= Grid point 23 (16/171) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -5.317 6.736 0.000) 8.582 2.352 ( -9.767 8.236 0.000) 12.777 2.626 ( -12.970 -2.624 0.000) 13.233 2.996 ( -5.829 -1.305 0.000) 5.974 3.169 ( -7.995 -11.645 0.000) 14.126 3.485 ( -8.345 -18.042 0.000) 19.878 3.591 ( 0.608 2.654 0.000) 2.723 4.106 ( 0.117 4.895 0.000) 4.897 4.110 ( -3.167 5.528 0.000) 6.371 4.376 ( 1.251 -0.521 0.000) 1.355 4.625 ( 5.471 -1.938 0.000) 5.804 4.874 ( 4.324 -1.290 0.000) 4.512 5.974 ( 1.162 -10.386 0.000) 10.450 6.563 ( 10.056 10.396 0.000) 14.463 6.839 ( -2.176 -6.240 0.000) 6.609 6.869 ( -24.697 -5.430 0.000) 25.286 7.407 ( -7.580 22.439 0.000) 23.685 7.759 ( -0.994 1.953 0.000) 2.192 8.257 ( -6.509 9.922 0.000) 11.866 8.506 ( -31.921 0.767 0.000) 31.930 8.875 ( 3.228 -6.006 0.000) 6.819 8.904 ( -4.871 21.578 0.000) 22.121 9.325 ( -23.152 9.966 0.000) 25.206 9.524 ( -3.332 -4.236 0.000) 5.390 9.802 ( 2.677 2.418 0.000) 3.608 10.283 ( 7.835 12.885 0.000) 15.080 10.299 ( -4.341 -17.857 0.000) 18.377 10.804 ( -25.504 -6.157 0.000) 26.236 11.221 ( 2.290 -4.804 0.000) 5.322 11.861 ( 2.405 -4.987 0.000) 5.536 12.120 ( -16.326 8.457 0.000) 18.387 12.262 ( -35.261 9.020 0.000) 36.397 12.577 ( -18.898 -7.360 0.000) 20.281 12.842 ( 4.454 -10.758 0.000) 11.644 13.291 ( 5.810 -6.542 0.000) 8.750 13.886 ( -14.021 -3.220 0.000) 14.386 13.900 ( -1.182 -1.955 0.000) 2.285 14.255 ( 3.333 -6.352 0.000) 7.173 14.458 ( -11.335 -2.951 0.000) 11.713 14.698 ( -0.998 0.536 0.000) 1.133 17.937 ( -7.901 -12.165 0.000) 14.506 19.527 ( -8.380 -17.849 0.000) 19.718 20.974 ( -9.871 2.033 0.000) 10.078 21.565 ( -10.752 -4.060 0.000) 11.493 22.722 ( -7.077 3.619 0.000) 7.949 23.253 ( 1.655 6.297 0.000) 6.511 23.453 ( 1.991 6.058 0.000) 6.377 23.838 ( 15.308 10.193 0.000) 18.391 ======================= Grid point 24 (17/171) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -11.095 8.568 0.000) 14.018 2.138 ( -9.386 10.800 0.000) 14.308 2.381 ( -13.390 -2.121 0.000) 13.557 2.880 ( -6.412 0.214 0.000) 6.415 3.106 ( -10.481 -20.987 0.000) 23.458 3.479 ( -6.276 -15.881 0.000) 17.076 3.520 ( -5.398 3.267 0.000) 6.310 4.001 ( -2.689 8.025 0.000) 8.464 4.112 ( 2.141 2.243 0.000) 3.101 4.400 ( 2.215 3.403 0.000) 4.061 4.773 ( 5.662 -9.363 0.000) 10.942 4.950 ( 1.686 0.955 0.000) 1.937 6.017 ( -4.951 -8.641 0.000) 9.959 6.365 ( -19.719 9.832 0.000) 22.034 6.735 ( 12.192 13.346 0.000) 18.077 6.766 ( -4.994 9.649 0.000) 10.865 7.118 ( -11.117 6.952 0.000) 13.112 7.784 ( -0.146 -1.767 0.000) 1.773 7.844 ( -31.613 -5.312 0.000) 32.056 7.977 ( -12.517 4.598 0.000) 13.335 8.708 ( -28.194 10.771 0.000) 30.181 8.863 ( 11.127 29.744 0.000) 31.757 8.988 ( 3.330 -7.976 0.000) 8.643 9.548 ( 1.650 -5.040 0.000) 5.303 9.819 ( -8.133 -3.202 0.000) 8.740 9.893 ( -48.992 -12.353 0.000) 50.525 10.183 ( -30.263 4.373 0.000) 30.577 10.275 ( -4.777 3.575 0.000) 5.966 10.978 ( -38.527 3.924 0.000) 38.726 11.467 ( -31.171 17.008 0.000) 35.510 11.519 ( -2.742 -1.992 0.000) 3.389 12.142 ( 7.376 -9.987 0.000) 12.416 12.666 ( 14.308 0.183 0.000) 14.309 13.086 ( 10.796 -12.457 0.000) 16.484 13.595 ( 17.647 -11.626 0.000) 21.133 13.625 ( -15.555 -5.067 0.000) 16.360 13.923 ( 1.895 -2.532 0.000) 3.162 14.149 ( -15.739 -6.640 0.000) 17.082 14.463 ( 5.640 1.370 0.000) 5.804 14.791 ( 10.043 -8.246 0.000) 12.995 17.851 ( -12.873 -19.229 0.000) 23.141 19.491 ( -12.192 -27.531 0.000) 30.110 20.645 ( -23.327 3.187 0.000) 23.543 21.290 ( -23.743 -11.230 0.000) 26.265 22.529 ( -8.907 7.748 0.000) 11.805 23.172 ( -4.286 8.764 0.000) 9.756 23.456 ( 3.322 7.490 0.000) 8.193 24.062 ( 17.507 16.402 0.000) 23.990 ======================= Grid point 25 (18/171) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -16.076 10.605 0.000) 19.259 1.821 ( -14.126 15.227 0.000) 20.771 2.182 ( -8.309 -2.588 0.000) 8.703 2.742 ( -6.527 4.501 0.000) 7.929 3.066 ( -7.969 -19.542 0.000) 21.104 3.370 ( -8.134 -0.698 0.000) 8.164 3.420 ( -9.410 -11.717 0.000) 15.028 3.818 ( -10.479 11.455 0.000) 15.525 4.110 ( -2.291 0.552 0.000) 2.356 4.455 ( 3.982 -0.758 0.000) 4.054 4.775 ( -18.793 16.320 0.000) 24.890 4.972 ( 5.285 -15.604 0.000) 16.475 5.809 ( -13.691 -3.456 0.000) 14.121 6.146 ( -2.939 -3.041 0.000) 4.229 6.589 ( -13.579 5.972 0.000) 14.834 6.683 ( -18.020 13.434 0.000) 22.477 6.870 ( 13.042 18.122 0.000) 22.327 7.501 ( -17.161 5.205 0.000) 17.933 7.592 ( -4.857 -16.604 0.000) 17.300 7.990 ( -36.008 8.332 0.000) 36.960 8.031 ( 4.959 -9.046 0.000) 10.316 8.716 ( -44.407 9.118 0.000) 45.333 8.963 ( -43.796 4.589 0.000) 44.036 9.029 ( -5.580 14.526 0.000) 15.560 9.168 ( -1.296 -4.310 0.000) 4.501 9.674 ( 3.266 -3.053 0.000) 4.470 9.832 ( -25.439 -5.808 0.000) 26.093 10.118 ( -32.925 11.515 0.000) 34.880 10.271 ( 12.562 0.295 0.000) 12.566 11.042 ( 1.558 21.578 0.000) 21.634 11.713 ( 11.466 -5.567 0.000) 12.745 12.341 ( 6.196 -8.377 0.000) 10.419 12.938 ( 13.612 2.393 0.000) 13.821 13.340 ( -15.938 -5.607 0.000) 16.895 13.385 ( 7.791 -12.104 0.000) 14.394 13.880 ( -15.884 -5.629 0.000) 16.852 13.976 ( 3.935 -6.336 0.000) 7.458 14.140 ( 26.142 -10.948 0.000) 28.342 14.523 ( 3.440 3.894 0.000) 5.196 15.197 ( 21.499 -16.301 0.000) 26.980 17.690 ( -21.038 -27.113 0.000) 34.318 19.423 ( -18.670 -36.460 0.000) 40.962 19.994 ( -40.793 6.158 0.000) 41.255 20.789 ( -40.605 -22.931 0.000) 46.633 22.256 ( -11.124 15.664 0.000) 19.211 22.998 ( -6.315 8.018 0.000) 10.206 23.476 ( 4.305 8.157 0.000) 9.223 24.290 ( 20.505 22.825 0.000) 30.683 ======================= Grid point 26 (19/171) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -19.605 16.033 0.000) 25.326 1.379 ( -18.453 19.422 0.000) 26.791 2.073 ( -5.769 -2.101 0.000) 6.140 2.511 ( -13.230 14.568 0.000) 19.679 3.061 ( -4.999 -6.541 0.000) 8.233 3.249 ( -6.444 -6.291 0.000) 9.005 3.292 ( -6.872 -1.028 0.000) 6.948 3.531 ( -12.127 -3.799 0.000) 12.709 3.959 ( -21.524 9.881 0.000) 23.684 4.068 ( -24.091 11.544 0.000) 26.714 4.503 ( 1.046 3.011 0.000) 3.188 5.137 ( -2.947 -19.736 0.000) 19.955 5.724 ( -1.294 -7.051 0.000) 7.169 5.911 ( -40.615 -4.800 0.000) 40.897 6.112 ( -5.433 -7.167 0.000) 8.993 6.599 ( 4.176 21.546 0.000) 21.946 6.975 ( 6.414 13.231 0.000) 14.704 7.166 ( -18.324 2.613 0.000) 18.510 7.212 ( -45.276 -7.204 0.000) 45.846 7.501 ( -20.903 -5.978 0.000) 21.741 7.745 ( -26.635 10.645 0.000) 28.684 7.992 ( -1.873 -1.649 0.000) 2.495 8.438 ( -1.412 -1.943 0.000) 2.402 8.814 ( -18.836 4.677 0.000) 19.408 9.327 ( -0.005 -3.994 0.000) 3.994 9.406 ( -7.983 0.407 0.000) 7.993 9.767 ( 4.831 -1.312 0.000) 5.006 9.786 ( 13.248 28.724 0.000) 31.631 10.595 ( 18.197 0.469 0.000) 18.203 11.101 ( 14.766 11.924 0.000) 18.980 11.944 ( 8.081 -4.553 0.000) 9.275 12.518 ( 8.222 -4.528 0.000) 9.387 12.992 ( -22.874 -6.475 0.000) 23.773 13.141 ( 8.871 2.859 0.000) 9.320 13.616 ( 6.706 -6.207 0.000) 9.138 13.632 ( -12.461 -5.957 0.000) 13.811 14.075 ( 1.910 -7.772 0.000) 8.004 14.560 ( 2.528 1.870 0.000) 3.145 14.814 ( 33.876 -9.961 0.000) 35.310 15.823 ( 28.350 -22.656 0.000) 36.291 17.393 ( -32.686 -34.487 0.000) 47.515 19.015 ( -51.363 11.433 0.000) 52.620 19.246 ( -28.206 -39.478 0.000) 48.520 20.018 ( -65.240 -45.582 0.000) 79.586 21.880 ( -12.323 24.931 0.000) 27.811 22.852 ( -3.864 4.569 0.000) 5.984 23.501 ( 4.010 8.146 0.000) 9.079 24.554 ( 26.688 30.098 0.000) 40.226 ======================= Grid point 27 (20/171) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -18.521 21.286 0.000) 28.216 0.868 ( -16.971 24.799 0.000) 30.050 1.766 ( -31.412 33.393 0.000) 45.845 2.075 ( -7.788 4.661 0.000) 9.076 2.842 ( -11.048 8.785 0.000) 14.115 3.168 ( -6.761 1.400 0.000) 6.905 3.341 ( 6.750 -2.816 0.000) 7.314 3.404 ( -11.122 -0.924 0.000) 11.160 3.425 ( -4.926 -9.883 0.000) 11.043 3.817 ( -11.333 -2.569 0.000) 11.621 4.458 ( -1.393 7.419 0.000) 7.548 5.070 ( -21.472 -15.605 0.000) 26.544 5.288 ( -18.689 -8.745 0.000) 20.634 5.784 ( 3.158 -2.069 0.000) 3.776 6.037 ( -8.647 -10.624 0.000) 13.698 6.144 ( -33.985 -0.156 0.000) 33.985 6.561 ( -25.467 -2.455 0.000) 25.585 6.727 ( -3.814 10.389 0.000) 11.067 7.002 ( 9.510 27.052 0.000) 28.675 7.433 ( 11.248 1.068 0.000) 11.299 7.686 ( 17.061 6.531 0.000) 18.268 8.111 ( -6.505 -15.304 0.000) 16.629 8.313 ( -18.805 -10.419 0.000) 21.499 8.411 ( -11.414 3.202 0.000) 11.855 9.213 ( 3.541 4.101 0.000) 5.418 9.611 ( 22.674 15.841 0.000) 27.659 9.870 ( 6.519 4.653 0.000) 8.009 9.993 ( 21.970 25.367 0.000) 33.558 10.897 ( 12.464 1.796 0.000) 12.593 11.407 ( 16.283 -5.929 0.000) 17.329 12.091 ( 4.030 -4.419 0.000) 5.981 12.534 ( -29.849 -7.181 0.000) 30.701 12.754 ( 15.023 -0.034 0.000) 15.023 13.218 ( 0.011 2.362 0.000) 2.362 13.499 ( 2.456 5.272 0.000) 5.816 13.763 ( 3.185 -6.022 0.000) 6.813 14.155 ( 0.143 -9.231 0.000) 9.232 14.590 ( 0.447 -1.330 0.000) 1.403 15.516 ( 29.784 -5.625 0.000) 30.310 16.517 ( 9.478 -43.987 0.000) 44.996 16.900 ( -39.755 -30.835 0.000) 50.312 18.029 ( -36.687 9.431 0.000) 37.879 18.734 ( -89.506 -35.767 0.000) 96.387 18.879 ( -61.411 -68.119 0.000) 91.714 21.476 ( -8.543 28.661 0.000) 29.907 22.780 ( -1.403 2.131 0.000) 2.552 23.508 ( 2.229 7.544 0.000) 7.867 24.952 ( 39.396 33.287 0.000) 51.576 ======================= Grid point 28 (21/171) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 0.000 27.031 0.000) 27.031 0.459 ( 0.000 32.323 0.000) 32.323 0.903 ( 0.000 63.840 0.000) 63.840 2.012 ( -0.000 -0.155 0.000) 0.155 2.671 ( 0.000 5.658 0.000) 5.658 3.054 ( 0.000 4.263 0.000) 4.263 3.394 ( -0.000 -7.689 0.000) 7.689 3.408 ( -0.000 -6.938 0.000) 6.938 3.467 ( 0.000 1.233 0.000) 1.233 3.707 ( -0.000 -2.694 0.000) 2.694 4.372 ( 0.000 10.448 0.000) 10.448 4.878 ( -0.000 -19.875 0.000) 19.875 5.197 ( -0.000 -0.610 0.000) 0.610 5.804 ( -0.000 -4.495 0.000) 4.495 5.877 ( -0.000 -0.534 0.000) 0.534 5.919 ( -0.000 -5.272 0.000) 5.272 6.468 ( -0.000 -17.316 0.000) 17.316 6.635 ( 0.000 8.606 0.000) 8.606 7.095 ( 0.000 20.423 0.000) 20.423 7.717 ( -0.000 -1.996 0.000) 1.996 7.851 ( 0.000 0.479 0.000) 0.479 7.950 ( 0.000 1.817 0.000) 1.817 7.967 ( -0.000 -0.056 0.000) 0.056 8.415 ( -0.000 -7.729 0.000) 7.729 9.316 ( -0.000 -4.387 0.000) 4.387 9.858 ( 0.000 2.681 0.000) 2.681 10.093 ( 0.000 17.144 0.000) 17.144 10.734 ( -0.000 -5.558 0.000) 5.558 11.028 ( 0.000 2.518 0.000) 2.518 11.073 ( 0.000 1.758 0.000) 1.758 12.128 ( -0.000 -0.119 0.000) 0.119 12.160 ( -0.000 -3.830 0.000) 3.830 13.055 ( 0.000 0.630 0.000) 0.630 13.073 ( 0.000 2.834 0.000) 2.834 13.821 ( -0.000 -4.848 0.000) 4.848 14.215 ( -0.000 -7.825 0.000) 7.825 14.261 ( 0.000 0.108 0.000) 0.108 14.358 ( -0.000 -21.801 0.000) 21.801 15.060 ( 0.000 21.999 0.000) 21.999 15.872 ( -0.000 -3.449 0.000) 3.449 16.584 ( -0.000 -15.771 0.000) 15.771 17.629 ( -0.000 -0.343 0.000) 0.343 17.822 ( -0.000 -0.240 0.000) 0.240 18.423 ( -0.000 -16.306 0.000) 16.306 21.197 ( 0.000 24.002 0.000) 24.002 22.757 ( 0.000 1.024 0.000) 1.024 23.481 ( 0.000 6.032 0.000) 6.032 25.501 ( -0.000 -0.823 0.000) 0.823 ======================= Grid point 31 (22/171) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 15.051 0.000 0.000) 15.051 1.872 ( 8.700 0.000 0.000) 8.700 2.536 ( 15.763 0.000 0.000) 15.763 2.871 ( 10.490 0.000 0.000) 10.490 3.427 ( 0.148 0.000 0.000) 0.148 3.540 ( 7.168 0.000 0.000) 7.168 3.665 ( 5.305 0.000 0.000) 5.305 4.047 ( -2.628 -0.000 0.000) 2.628 4.141 ( -7.837 -0.000 0.000) 7.837 4.414 ( 12.228 0.000 0.000) 12.228 4.827 ( 14.870 0.000 0.000) 14.870 5.030 ( -8.094 -0.000 0.000) 8.094 5.975 ( 2.539 0.000 0.000) 2.539 6.038 ( 12.539 0.000 0.000) 12.539 6.231 ( -8.585 -0.000 0.000) 8.585 6.449 ( 10.686 0.000 0.000) 10.686 7.238 ( 17.331 0.000 0.000) 17.331 7.704 ( 12.521 0.000 0.000) 12.521 8.035 ( -12.562 -0.000 0.000) 12.562 8.072 ( -5.453 -0.000 0.000) 5.453 8.119 ( 16.078 0.000 0.000) 16.078 8.461 ( 32.806 0.000 0.000) 32.806 9.220 ( -4.408 -0.000 0.000) 4.408 9.702 ( -2.597 -0.000 0.000) 2.597 9.899 ( -10.221 -0.000 0.000) 10.221 9.975 ( 18.931 0.000 0.000) 18.931 10.212 ( 69.380 0.000 0.000) 69.380 10.340 ( 31.716 0.000 0.000) 31.716 10.940 ( 49.245 0.000 0.000) 49.245 10.970 ( 40.735 0.000 0.000) 40.735 11.526 ( -17.122 -0.000 0.000) 17.122 12.316 ( -13.606 -0.000 0.000) 13.606 12.611 ( -8.186 -0.000 0.000) 8.186 13.317 ( -12.418 -0.000 0.000) 12.418 13.827 ( 15.380 0.000 0.000) 15.380 13.859 ( -22.660 -0.000 0.000) 22.660 14.048 ( -2.755 -0.000 0.000) 2.755 14.217 ( 8.703 0.000 0.000) 8.703 14.467 ( 3.742 0.000 0.000) 3.742 15.035 ( -21.116 -0.000 0.000) 21.116 18.383 ( 0.035 0.000 0.000) 0.035 20.194 ( -0.454 -0.000 0.000) 0.454 20.620 ( 28.257 0.000 0.000) 28.257 22.196 ( 17.995 0.000 0.000) 17.995 22.454 ( 14.419 0.000 0.000) 14.419 22.545 ( -14.967 -0.000 0.000) 14.967 22.991 ( 5.199 0.000 0.000) 5.199 23.534 ( -1.893 -0.000 0.000) 1.893 ======================= Grid point 32 (23/171) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 6.175 -3.159 0.000) 6.936 2.106 ( 11.352 -1.740 0.000) 11.485 2.810 ( 11.535 1.974 0.000) 11.702 3.049 ( 7.862 0.384 0.000) 7.872 3.431 ( -0.359 -2.021 0.000) 2.053 3.488 ( -9.677 8.345 0.000) 12.778 3.668 ( -2.117 -9.129 0.000) 9.371 4.015 ( -0.236 0.060 0.000) 0.244 4.144 ( 4.248 -1.521 0.000) 4.512 4.473 ( -1.507 7.186 0.000) 7.342 4.947 ( -0.786 0.907 0.000) 1.200 4.958 ( -0.921 4.364 0.000) 4.460 6.174 ( 2.278 1.762 0.000) 2.880 6.252 ( 5.748 -4.621 0.000) 7.376 6.279 ( 23.119 -9.263 0.000) 24.905 6.791 ( 25.161 -0.743 0.000) 25.172 7.347 ( 1.229 5.174 0.000) 5.318 7.816 ( -2.716 -0.111 0.000) 2.718 7.915 ( -3.240 -10.413 0.000) 10.905 8.009 ( -1.081 -0.379 0.000) 1.146 8.674 ( 36.686 1.170 0.000) 36.705 9.072 ( 29.349 -1.657 0.000) 29.396 9.138 ( -2.804 2.787 0.000) 3.954 9.630 ( -4.523 -2.373 0.000) 5.108 9.791 ( -5.204 5.946 0.000) 7.902 9.878 ( -2.175 -5.717 0.000) 6.117 11.075 ( -14.707 8.387 0.000) 16.930 11.311 ( 43.925 11.622 0.000) 45.436 11.429 ( 37.825 6.736 0.000) 38.420 11.646 ( 19.033 -9.992 0.000) 21.497 11.666 ( 26.937 -12.497 0.000) 29.695 11.978 ( -19.792 -0.768 0.000) 19.807 12.636 ( 14.613 -0.348 0.000) 14.617 13.101 ( -7.436 1.198 0.000) 7.532 13.477 ( -16.049 1.330 0.000) 16.104 14.044 ( 3.408 1.556 0.000) 3.746 14.085 ( 11.689 3.293 0.000) 12.144 14.285 ( 0.346 -2.296 0.000) 2.322 14.661 ( 13.347 2.256 0.000) 13.537 14.696 ( -12.280 0.351 0.000) 12.285 18.333 ( -3.561 3.053 0.000) 4.691 20.095 ( -7.182 4.128 0.000) 8.284 20.994 ( 12.220 1.020 0.000) 12.262 22.183 ( -8.927 17.956 0.000) 20.053 22.517 ( 14.022 -2.585 0.000) 14.259 22.800 ( 8.270 -18.438 0.000) 20.208 23.062 ( 1.209 -1.248 0.000) 1.738 23.506 ( -1.802 -1.908 0.000) 2.624 ======================= Grid point 33 (24/171) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 9.919 -6.670 0.000) 11.953 2.309 ( 8.270 -1.597 0.000) 8.423 2.938 ( 3.252 1.509 0.000) 3.585 3.161 ( 4.023 1.392 0.000) 4.257 3.314 ( -2.387 4.780 0.000) 5.343 3.445 ( -0.174 -3.735 0.000) 3.739 3.616 ( -10.748 -11.673 0.000) 15.867 4.038 ( 2.829 0.498 0.000) 2.873 4.231 ( 3.336 -2.432 0.000) 4.129 4.368 ( -2.101 8.331 0.000) 8.592 4.868 ( -5.227 6.121 0.000) 8.049 4.870 ( -4.086 2.217 0.000) 4.648 6.188 ( -1.298 5.913 0.000) 6.054 6.347 ( 3.482 -3.088 0.000) 4.654 6.749 ( 12.315 -6.005 0.000) 13.701 7.346 ( 25.112 -3.677 0.000) 25.380 7.412 ( 14.881 9.646 0.000) 17.734 7.648 ( -11.987 -5.030 0.000) 13.000 8.012 ( -0.221 -2.067 0.000) 2.079 8.069 ( 9.104 -19.858 0.000) 21.845 9.077 ( -0.813 5.575 0.000) 5.634 9.391 ( 35.918 1.778 0.000) 35.962 9.581 ( -3.488 -4.293 0.000) 5.532 9.606 ( 23.488 -3.670 0.000) 23.773 9.652 ( -2.146 3.100 0.000) 3.771 10.010 ( 9.273 -1.450 0.000) 9.386 10.575 ( -26.856 7.154 0.000) 27.792 11.368 ( -18.013 9.659 0.000) 20.439 11.584 ( 1.361 18.169 0.000) 18.220 11.605 ( -18.228 -0.210 0.000) 18.229 12.256 ( 18.117 -17.915 0.000) 25.479 12.306 ( 26.296 -4.906 0.000) 26.750 13.014 ( 13.629 -1.327 0.000) 13.693 13.055 ( 2.246 1.535 0.000) 2.721 13.245 ( -5.508 -2.430 0.000) 6.020 14.146 ( 7.487 4.108 0.000) 8.540 14.179 ( -1.842 1.998 0.000) 2.718 14.283 ( 0.764 2.175 0.000) 2.306 14.611 ( 3.141 -3.041 0.000) 4.372 14.884 ( 9.308 3.306 0.000) 9.877 18.218 ( -5.911 2.764 0.000) 6.525 19.892 ( -10.205 3.779 0.000) 10.882 21.131 ( 4.030 1.803 0.000) 4.415 21.935 ( -6.648 9.153 0.000) 11.313 22.779 ( 11.549 -1.775 0.000) 11.684 23.055 ( -2.774 -2.283 0.000) 3.593 23.073 ( 9.964 -10.529 0.000) 14.496 23.492 ( -0.857 -1.363 0.000) 1.610 ======================= Grid point 34 (25/171) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 7.590 -5.792 0.000) 9.548 2.440 ( 4.451 0.236 0.000) 4.457 2.935 ( -2.506 0.153 0.000) 2.511 3.174 ( -1.308 2.386 0.000) 2.721 3.257 ( -6.364 -3.644 0.000) 7.333 3.483 ( 1.488 -3.593 0.000) 3.889 3.488 ( -7.870 -10.129 0.000) 12.827 4.115 ( 4.692 -0.898 0.000) 4.778 4.282 ( -1.390 7.256 0.000) 7.388 4.330 ( 5.886 -1.096 0.000) 5.988 4.670 ( -11.309 2.056 0.000) 11.495 4.799 ( -1.374 1.761 0.000) 2.234 6.020 ( -9.376 7.169 0.000) 11.803 6.451 ( 6.761 3.019 0.000) 7.404 6.824 ( -2.801 -1.947 0.000) 3.411 7.300 ( -19.811 -12.284 0.000) 23.310 7.696 ( 18.136 14.258 0.000) 23.070 7.892 ( 15.314 -3.782 0.000) 15.774 8.028 ( 0.741 -7.190 0.000) 7.228 8.548 ( 22.250 -23.054 0.000) 32.040 9.000 ( -2.750 7.606 0.000) 8.088 9.543 ( -3.415 -4.457 0.000) 5.615 9.726 ( 13.013 7.771 0.000) 15.157 9.765 ( -2.567 3.871 0.000) 4.644 9.966 ( -20.771 7.807 0.000) 22.190 10.178 ( 6.091 -0.358 0.000) 6.102 10.181 ( 26.084 -7.296 0.000) 27.086 10.890 ( -21.239 12.122 0.000) 24.455 11.367 ( -7.438 15.436 0.000) 17.134 11.375 ( -1.999 -0.527 0.000) 2.067 12.537 ( -0.449 -16.041 0.000) 16.047 12.591 ( 1.337 -2.726 0.000) 3.036 13.015 ( -3.951 3.299 0.000) 5.148 13.067 ( -1.940 1.283 0.000) 2.326 13.347 ( 0.439 -12.287 0.000) 12.295 14.064 ( -6.170 -0.404 0.000) 6.183 14.178 ( -2.181 6.627 0.000) 6.976 14.307 ( 1.532 2.847 0.000) 3.233 14.702 ( 0.880 -3.311 0.000) 3.426 14.926 ( -2.845 3.523 0.000) 4.528 18.075 ( -7.570 0.085 0.000) 7.570 19.668 ( -11.256 -0.242 0.000) 11.259 21.157 ( 0.668 2.163 0.000) 2.263 21.793 ( -3.389 4.872 0.000) 5.935 22.939 ( 0.641 1.276 0.000) 1.428 23.060 ( 5.875 -3.038 0.000) 6.614 23.348 ( 13.281 -4.123 0.000) 13.907 23.493 ( 0.490 -0.001 0.000) 0.490 ======================= Grid point 35 (26/171) ======================= q-point: (-0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -0.727 1.193 0.000) 1.397 2.528 ( -0.270 -1.355 0.000) 1.381 2.836 ( -7.657 1.133 0.000) 7.740 3.092 ( -5.049 1.302 0.000) 5.214 3.098 ( -15.949 -17.019 0.000) 23.325 3.440 ( -2.507 0.183 0.000) 2.514 3.549 ( 3.106 -2.018 0.000) 3.704 4.195 ( 2.253 1.193 0.000) 2.549 4.213 ( -1.535 2.677 0.000) 3.086 4.404 ( -6.216 0.307 0.000) 6.224 4.524 ( 5.111 -0.197 0.000) 5.114 4.799 ( 2.087 0.332 0.000) 2.113 5.826 ( -5.575 -0.052 0.000) 5.576 6.565 ( 9.219 7.601 0.000) 11.948 6.766 ( -4.499 -4.139 0.000) 6.113 7.004 ( -21.311 -17.888 0.000) 27.824 7.841 ( 6.787 16.331 0.000) 17.685 7.922 ( -3.386 4.410 0.000) 5.560 8.259 ( 7.936 -10.727 0.000) 13.344 8.887 ( -1.889 8.728 0.000) 8.930 9.073 ( 12.312 -4.191 0.000) 13.006 9.278 ( -28.328 0.014 0.000) 28.328 9.508 ( -3.969 -5.275 0.000) 6.602 9.628 ( -14.299 0.781 0.000) 14.321 9.899 ( 6.654 11.552 0.000) 13.331 10.280 ( 7.792 1.901 0.000) 8.021 10.393 ( -15.867 12.804 0.000) 20.389 10.792 ( 23.658 -6.580 0.000) 24.556 11.138 ( -7.852 11.113 0.000) 13.607 11.553 ( 15.820 -1.600 0.000) 15.901 12.453 ( -15.893 -4.235 0.000) 16.447 12.534 ( -10.558 -18.365 0.000) 21.184 12.897 ( -9.652 0.629 0.000) 9.673 12.921 ( -11.263 4.279 0.000) 12.049 13.284 ( -14.099 -9.494 0.000) 16.998 13.980 ( -4.659 -4.066 0.000) 6.184 14.001 ( -8.313 4.742 0.000) 9.570 14.256 ( -5.092 3.091 0.000) 5.957 14.639 ( -9.555 -1.816 0.000) 9.726 14.784 ( -6.937 0.721 0.000) 6.974 17.928 ( -9.174 -4.421 0.000) 10.184 19.467 ( -11.990 -6.693 0.000) 13.732 21.130 ( -2.167 2.456 0.000) 3.275 21.703 ( -4.304 2.685 0.000) 5.072 22.874 ( -4.491 0.922 0.000) 4.584 23.231 ( 8.543 1.277 0.000) 8.638 23.501 ( 1.575 1.964 0.000) 2.518 23.651 ( 16.302 1.502 0.000) 16.371 ======================= Grid point 36 (27/171) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -6.795 -1.140 0.000) 6.890 2.438 ( -7.832 3.952 0.000) 8.773 2.627 ( -11.580 2.758 0.000) 11.904 2.915 ( -15.239 -18.678 0.000) 24.106 2.983 ( -5.764 -0.704 0.000) 5.806 3.385 ( -2.046 0.814 0.000) 2.202 3.612 ( 1.856 0.413 0.000) 1.901 4.165 ( -3.891 1.863 0.000) 4.314 4.176 ( -0.895 4.667 0.000) 4.752 4.307 ( -1.571 -6.851 0.000) 7.029 4.670 ( 8.589 6.095 0.000) 10.532 4.861 ( 3.870 -0.601 0.000) 3.917 5.826 ( 0.270 -9.605 0.000) 9.608 6.718 ( -0.633 -1.505 0.000) 1.633 6.721 ( -4.945 -9.208 0.000) 10.452 6.731 ( -3.984 -0.552 0.000) 4.022 7.690 ( -10.460 15.632 0.000) 18.809 7.806 ( -4.360 3.718 0.000) 5.730 8.370 ( -1.045 4.321 0.000) 4.445 8.552 ( -34.942 6.568 0.000) 35.554 8.832 ( 0.333 1.433 0.000) 1.471 9.163 ( -0.617 14.570 0.000) 14.583 9.458 ( -9.145 6.547 0.000) 11.247 9.463 ( -3.526 -4.762 0.000) 5.925 9.847 ( -2.190 4.385 0.000) 4.901 10.123 ( -9.596 -4.987 0.000) 10.814 10.396 ( 0.175 0.964 0.000) 0.980 10.823 ( -17.010 10.719 0.000) 20.105 11.149 ( 4.621 -5.378 0.000) 7.091 11.790 ( 2.496 -4.392 0.000) 5.051 12.228 ( -12.568 5.921 0.000) 13.893 12.309 ( -26.999 -4.201 0.000) 27.324 12.439 ( -25.179 -11.211 0.000) 27.562 12.723 ( -0.938 -3.916 0.000) 4.027 13.194 ( 1.906 -7.154 0.000) 7.404 13.847 ( -13.574 -2.754 0.000) 13.851 13.891 ( -1.289 0.627 0.000) 1.433 14.160 ( -3.377 -6.426 0.000) 7.260 14.435 ( -9.181 -0.475 0.000) 9.193 14.698 ( -2.268 -0.507 0.000) 2.324 17.776 ( -12.155 -10.379 0.000) 15.984 19.292 ( -14.301 -15.061 0.000) 20.770 21.012 ( -8.919 3.091 0.000) 9.439 21.543 ( -12.217 0.331 0.000) 12.222 22.762 ( -5.981 2.159 0.000) 6.358 23.335 ( 3.962 5.130 0.000) 6.481 23.518 ( 2.191 3.453 0.000) 4.089 23.957 ( 17.973 6.607 0.000) 19.149 ======================= Grid point 37 (28/171) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -10.984 7.306 0.000) 13.192 2.243 ( -9.125 0.022 0.000) 9.125 2.382 ( -11.603 2.335 0.000) 11.835 2.781 ( -12.303 -19.416 0.000) 22.985 2.885 ( -4.339 0.460 0.000) 4.363 3.353 ( -2.933 -3.410 0.000) 4.498 3.570 ( -5.069 3.970 0.000) 6.439 4.082 ( -1.359 3.094 0.000) 3.380 4.142 ( -0.040 2.046 0.000) 2.046 4.392 ( 2.775 -6.260 0.000) 6.847 4.727 ( 1.637 4.889 0.000) 5.156 4.947 ( 3.803 -0.973 0.000) 3.926 5.882 ( -3.397 -10.192 0.000) 10.744 6.429 ( -17.271 -1.630 0.000) 17.347 6.698 ( -5.998 -12.974 0.000) 14.293 6.964 ( 19.670 18.503 0.000) 27.005 7.284 ( -21.639 7.704 0.000) 22.970 7.753 ( 0.657 -1.296 0.000) 1.453 7.855 ( -28.074 8.961 0.000) 29.469 8.102 ( -18.493 12.401 0.000) 22.266 8.880 ( -24.130 13.747 0.000) 27.772 8.883 ( 2.466 -6.695 0.000) 7.135 9.282 ( 9.909 28.265 0.000) 29.951 9.492 ( 3.713 -3.401 0.000) 5.036 9.732 ( -40.671 -9.324 0.000) 41.726 9.751 ( -15.519 -5.897 0.000) 16.602 10.152 ( -18.597 -5.715 0.000) 19.456 10.425 ( -16.963 13.944 0.000) 21.958 11.031 ( -26.633 2.767 0.000) 26.777 11.477 ( -17.582 -3.705 0.000) 17.968 11.709 ( -22.093 17.116 0.000) 27.948 11.995 ( 7.007 -9.902 0.000) 12.130 12.643 ( 16.632 -3.617 0.000) 17.021 12.892 ( 8.299 -14.058 0.000) 16.325 13.418 ( 13.625 -13.057 0.000) 18.871 13.568 ( -15.930 -3.098 0.000) 16.229 13.906 ( 2.494 0.149 0.000) 2.498 14.049 ( -14.413 -7.929 0.000) 16.450 14.453 ( 8.595 -2.901 0.000) 9.072 14.701 ( 2.029 -4.087 0.000) 4.563 17.588 ( -17.802 -17.545 0.000) 24.994 19.114 ( -18.914 -25.135 0.000) 31.457 20.700 ( -21.657 4.335 0.000) 22.087 21.192 ( -25.737 -3.502 0.000) 25.974 22.613 ( -6.949 4.356 0.000) 8.201 23.302 ( -2.048 9.299 0.000) 9.522 23.540 ( 3.108 4.682 0.000) 5.620 24.252 ( 18.791 10.568 0.000) 21.558 ======================= Grid point 38 (29/171) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -12.354 10.570 0.000) 16.259 2.025 ( -10.173 11.351 0.000) 15.243 2.166 ( -8.648 0.594 0.000) 8.668 2.737 ( -7.063 -23.775 0.000) 24.802 2.809 ( -1.838 4.676 0.000) 5.024 3.298 ( -5.614 -5.434 0.000) 7.813 3.385 ( -10.249 3.383 0.000) 10.793 4.003 ( -6.070 12.058 0.000) 13.500 4.109 ( -4.010 -0.694 0.000) 4.070 4.431 ( 0.161 -2.036 0.000) 2.042 4.759 ( 0.075 -13.057 0.000) 13.057 4.943 ( -6.913 6.504 0.000) 9.492 5.762 ( -14.993 -3.174 0.000) 15.325 6.135 ( -9.702 1.059 0.000) 9.760 6.523 ( -29.200 -8.762 0.000) 30.486 6.868 ( -8.490 0.345 0.000) 8.497 7.122 ( 7.071 17.551 0.000) 18.922 7.453 ( -10.627 1.072 0.000) 10.681 7.604 ( -14.454 9.552 0.000) 17.325 7.919 ( 6.899 -6.032 0.000) 9.165 8.130 ( -41.655 12.436 0.000) 43.472 8.831 ( -45.874 7.751 0.000) 46.524 8.969 ( -9.659 -3.299 0.000) 10.207 9.154 ( -25.501 1.042 0.000) 25.522 9.250 ( -4.265 15.617 0.000) 16.189 9.626 ( 4.586 -3.899 0.000) 6.019 9.781 ( -29.584 -1.096 0.000) 29.604 10.250 ( 10.412 -3.530 0.000) 10.995 10.339 ( -16.820 19.890 0.000) 26.048 11.374 ( 1.627 25.688 0.000) 25.740 11.607 ( 10.887 -10.321 0.000) 15.002 12.207 ( 6.904 -9.840 0.000) 12.020 12.952 ( 13.402 -0.336 0.000) 13.407 13.163 ( 6.245 -18.438 0.000) 19.467 13.272 ( -17.426 -3.953 0.000) 17.869 13.809 ( -13.392 -4.456 0.000) 14.114 13.857 ( 14.036 -12.653 0.000) 18.897 14.013 ( 14.475 -4.582 0.000) 15.183 14.584 ( 4.010 4.298 0.000) 5.879 14.952 ( 16.030 -17.964 0.000) 24.076 17.318 ( -25.953 -25.169 0.000) 36.153 18.901 ( -25.629 -35.875 0.000) 44.089 20.084 ( -38.219 6.477 0.000) 38.764 20.580 ( -42.253 -8.746 0.000) 43.148 22.433 ( -6.936 9.200 0.000) 11.522 23.144 ( -5.612 12.257 0.000) 13.480 23.573 ( 3.946 5.683 0.000) 6.919 24.543 ( 20.202 13.482 0.000) 24.288 ======================= Grid point 39 (30/171) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -15.345 16.437 0.000) 22.486 1.674 ( -13.625 21.602 0.000) 25.540 2.048 ( -4.293 -1.251 0.000) 4.472 2.722 ( -1.694 14.917 0.000) 15.013 2.854 ( 2.572 -20.526 0.000) 20.687 3.175 ( -9.783 -3.051 0.000) 10.248 3.239 ( -3.733 -4.615 0.000) 5.936 3.641 ( -17.264 16.070 0.000) 23.586 3.974 ( -11.134 -2.343 0.000) 11.378 4.387 ( -35.539 26.444 0.000) 44.298 4.492 ( 1.907 -4.535 0.000) 4.919 4.851 ( -4.010 -20.425 0.000) 20.815 5.579 ( -5.536 -11.647 0.000) 12.896 5.828 ( -42.643 -6.360 0.000) 43.115 6.017 ( -7.265 -6.412 0.000) 9.690 6.854 ( -2.802 4.534 0.000) 5.330 6.972 ( -18.713 -6.155 0.000) 19.699 7.077 ( -41.484 -10.064 0.000) 42.688 7.401 ( -12.444 2.038 0.000) 12.610 7.408 ( 3.305 21.994 0.000) 22.241 7.891 ( -11.804 11.143 0.000) 16.233 8.088 ( -17.082 11.952 0.000) 20.848 8.439 ( -12.494 1.956 0.000) 12.646 8.887 ( -20.880 5.814 0.000) 21.674 9.266 ( -1.132 -4.693 0.000) 4.828 9.392 ( 4.233 -2.268 0.000) 4.802 9.751 ( 6.516 -0.907 0.000) 6.579 10.227 ( 18.448 33.281 0.000) 38.052 10.576 ( 17.714 -3.683 0.000) 18.093 11.318 ( 7.344 18.908 0.000) 20.284 11.869 ( 8.752 -6.507 0.000) 10.906 12.421 ( 9.328 -9.080 0.000) 13.017 12.912 ( -22.717 -4.866 0.000) 23.232 13.163 ( 7.922 -0.012 0.000) 7.922 13.365 ( -2.025 -21.893 0.000) 21.986 13.649 ( -2.042 1.765 0.000) 2.699 13.981 ( 0.849 -5.010 0.000) 5.082 14.603 ( 1.312 3.655 0.000) 3.883 14.652 ( 35.317 -12.751 0.000) 37.549 15.484 ( 21.545 -24.363 0.000) 32.523 16.931 ( -34.032 -30.661 0.000) 45.807 18.603 ( -35.576 -44.970 0.000) 57.340 19.156 ( -50.257 8.879 0.000) 51.035 19.669 ( -59.255 -12.239 0.000) 60.505 22.200 ( -7.140 18.964 0.000) 20.264 22.955 ( -4.587 10.609 0.000) 11.558 23.607 ( 3.865 6.664 0.000) 7.704 24.856 ( 22.599 14.479 0.000) 26.840 ======================= Grid point 40 (31/171) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -15.887 20.782 0.000) 26.159 1.241 ( -11.498 27.644 0.000) 29.940 1.995 ( -1.374 1.999 0.000) 2.426 2.407 ( -14.324 37.468 0.000) 40.113 2.960 ( -6.502 4.693 0.000) 8.019 3.110 ( -0.696 -7.885 0.000) 7.916 3.270 ( 3.819 -8.880 0.000) 9.667 3.327 ( -0.410 0.816 0.000) 0.913 3.530 ( -25.671 17.764 0.000) 31.218 3.766 ( -13.264 -4.495 0.000) 14.005 4.499 ( -5.291 -2.262 0.000) 5.754 4.857 ( -13.044 -14.102 0.000) 19.209 5.140 ( -23.621 -11.638 0.000) 26.333 5.648 ( 0.930 -16.403 0.000) 16.430 5.890 ( -11.459 -9.199 0.000) 14.695 6.099 ( -41.342 -6.423 0.000) 41.838 6.529 ( -22.055 -1.629 0.000) 22.115 6.949 ( 2.197 20.544 0.000) 20.661 7.352 ( 4.752 -14.450 0.000) 15.211 7.357 ( 7.831 21.465 0.000) 22.849 7.809 ( 12.011 11.099 0.000) 16.354 7.946 ( -3.247 -5.338 0.000) 6.248 8.221 ( -14.764 -3.409 0.000) 15.152 8.490 ( -12.696 7.984 0.000) 14.998 9.193 ( -1.076 -4.292 0.000) 4.425 9.762 ( 18.899 4.618 0.000) 19.455 9.965 ( 23.410 7.609 0.000) 24.615 10.395 ( 18.881 30.711 0.000) 36.051 10.914 ( 13.665 -0.584 0.000) 13.677 11.357 ( 1.597 0.175 0.000) 1.606 12.027 ( 3.941 -4.553 0.000) 6.022 12.455 ( -26.929 -4.026 0.000) 27.228 12.721 ( 16.415 -5.360 0.000) 17.268 13.237 ( -1.300 -0.341 0.000) 1.344 13.443 ( 1.693 -14.960 0.000) 15.055 13.720 ( 8.928 2.159 0.000) 9.185 14.020 ( -1.466 -8.649 0.000) 8.773 14.575 ( -4.173 -0.911 0.000) 4.271 15.419 ( 32.513 -7.768 0.000) 33.428 15.950 ( -6.537 -31.515 0.000) 32.185 16.479 ( -30.629 -28.049 0.000) 41.532 18.056 ( -50.460 -34.461 0.000) 61.105 18.139 ( -44.211 6.495 0.000) 44.685 18.600 ( -48.995 -11.398 0.000) 50.303 21.900 ( -5.508 29.232 0.000) 29.747 22.834 ( -1.832 6.237 0.000) 6.500 23.619 ( 2.382 7.683 0.000) 8.043 25.217 ( 22.820 9.525 0.000) 24.728 ======================= Grid point 41 (32/171) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 0.000 24.452 0.000) 24.452 0.906 ( 0.000 31.314 0.000) 31.314 1.785 ( 0.000 61.037 0.000) 61.037 2.008 ( -0.000 -0.329 0.000) 0.329 2.782 ( 0.000 9.683 0.000) 9.683 3.145 ( 0.000 8.812 0.000) 8.812 3.257 ( -0.000 -10.711 0.000) 10.711 3.300 ( -0.000 -8.245 0.000) 8.245 3.496 ( 0.000 3.114 0.000) 3.114 3.653 ( -0.000 -4.935 0.000) 4.935 4.405 ( -0.000 -13.408 0.000) 13.408 4.680 ( -0.000 -1.518 0.000) 1.518 5.116 ( -0.000 -10.147 0.000) 10.147 5.711 ( -0.000 -8.667 0.000) 8.667 5.783 ( -0.000 -13.766 0.000) 13.766 5.810 ( -0.000 -10.233 0.000) 10.233 6.327 ( -0.000 -1.969 0.000) 1.969 6.819 ( 0.000 17.768 0.000) 17.768 7.365 ( 0.000 17.498 0.000) 17.498 7.604 ( -0.000 -16.191 0.000) 16.191 7.861 ( 0.000 0.814 0.000) 0.814 7.965 ( -0.000 -0.097 0.000) 0.097 7.992 ( 0.000 4.458 0.000) 4.458 8.352 ( 0.000 1.169 0.000) 1.169 9.240 ( -0.000 -6.114 0.000) 6.114 9.898 ( 0.000 2.455 0.000) 2.455 10.406 ( 0.000 26.034 0.000) 26.034 10.642 ( -0.000 -6.963 0.000) 6.963 11.059 ( 0.000 1.451 0.000) 1.451 11.108 ( 0.000 3.162 0.000) 3.162 12.097 ( -0.000 -4.681 0.000) 4.681 12.125 ( -0.000 -0.250 0.000) 0.250 13.068 ( 0.000 1.135 0.000) 1.135 13.090 ( -0.000 -2.082 0.000) 2.082 13.665 ( -0.000 -18.163 0.000) 18.163 14.070 ( -0.000 -11.534 0.000) 11.534 14.134 ( -0.000 -8.645 0.000) 8.645 14.264 ( 0.000 0.194 0.000) 0.194 15.348 ( 0.000 18.712 0.000) 18.712 15.800 ( -0.000 -6.827 0.000) 6.827 16.333 ( -0.000 -17.672 0.000) 17.672 17.622 ( -0.000 -0.621 0.000) 0.621 17.818 ( -0.000 -0.433 0.000) 0.433 18.114 ( -0.000 -26.231 0.000) 26.231 21.617 ( 0.000 33.008 0.000) 33.008 22.786 ( 0.000 3.399 0.000) 3.399 23.586 ( 0.000 8.218 0.000) 8.218 25.484 ( -0.000 -1.499 0.000) 1.499 ======================= Grid point 46 (33/171) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 10.294 0.000 0.000) 10.294 2.298 ( 8.965 0.000 0.000) 8.965 2.949 ( 2.622 0.000 0.000) 2.622 3.170 ( 4.203 0.000 0.000) 4.203 3.368 ( -2.382 -0.000 0.000) 2.382 3.414 ( -0.336 -0.000 0.000) 0.336 3.512 ( -12.423 -0.000 0.000) 12.423 4.044 ( 2.774 0.000 0.000) 2.774 4.213 ( 3.722 0.000 0.000) 3.722 4.427 ( -3.397 -0.000 0.000) 3.397 4.887 ( -4.241 -0.000 0.000) 4.241 4.913 ( -7.165 -0.000 0.000) 7.165 6.253 ( -3.161 -0.000 0.000) 3.161 6.301 ( 8.295 0.000 0.000) 8.295 6.704 ( 16.040 0.000 0.000) 16.040 7.324 ( 27.193 0.000 0.000) 27.193 7.512 ( 18.970 0.000 0.000) 18.970 7.601 ( -18.409 -0.000 0.000) 18.409 7.898 ( 5.289 0.000 0.000) 5.289 8.002 ( 0.734 0.000 0.000) 0.734 9.119 ( -0.673 -0.000 0.000) 0.673 9.407 ( 37.351 0.000 0.000) 37.351 9.546 ( -3.323 -0.000 0.000) 3.323 9.577 ( 22.042 0.000 0.000) 22.042 9.676 ( -1.708 -0.000 0.000) 1.708 10.000 ( 10.042 0.000 0.000) 10.042 10.626 ( -28.210 -0.000 0.000) 28.210 11.441 ( -19.346 -0.000 0.000) 19.346 11.605 ( -17.866 -0.000 0.000) 17.866 11.765 ( -4.427 -0.000 0.000) 4.427 12.077 ( 24.258 0.000 0.000) 24.258 12.265 ( 29.288 0.000 0.000) 29.288 13.001 ( 15.862 0.000 0.000) 15.862 13.065 ( 1.774 0.000 0.000) 1.774 13.231 ( -9.685 -0.000 0.000) 9.685 14.175 ( 7.943 0.000 0.000) 7.943 14.194 ( -3.576 -0.000 0.000) 3.576 14.301 ( 2.164 0.000 0.000) 2.164 14.587 ( 2.741 0.000 0.000) 2.741 14.908 ( 9.172 0.000 0.000) 9.172 18.237 ( -6.970 -0.000 0.000) 6.970 19.919 ( -11.760 -0.000 0.000) 11.760 21.145 ( 4.008 0.000 0.000) 4.008 22.010 ( -10.521 -0.000 0.000) 10.521 22.765 ( 12.675 0.000 0.000) 12.675 22.989 ( 14.305 0.000 0.000) 14.305 23.038 ( -2.839 -0.000 0.000) 2.839 23.482 ( -0.219 -0.000 0.000) 0.219 ======================= Grid point 47 (34/171) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 10.066 -2.205 0.000) 10.304 2.443 ( 5.462 0.115 0.000) 5.463 2.944 ( -2.205 0.688 0.000) 2.310 3.195 ( -12.748 -1.970 0.000) 12.899 3.195 ( -7.410 -0.692 0.000) 7.442 3.412 ( 3.115 -1.881 0.000) 3.639 3.432 ( 1.499 -2.571 0.000) 2.976 4.110 ( 4.092 -0.021 0.000) 4.092 4.311 ( 6.518 -0.513 0.000) 6.538 4.359 ( -2.847 2.690 0.000) 3.917 4.688 ( -14.492 0.487 0.000) 14.500 4.818 ( -2.150 0.822 0.000) 2.302 6.110 ( -9.456 4.321 0.000) 10.396 6.477 ( 9.407 0.615 0.000) 9.427 6.804 ( -2.382 -0.780 0.000) 2.506 7.177 ( -24.511 -4.610 0.000) 24.941 7.780 ( 17.195 -6.193 0.000) 18.276 7.931 ( 19.467 18.663 0.000) 26.968 8.014 ( -0.203 0.748 0.000) 0.775 8.228 ( 25.275 -21.845 0.000) 33.407 9.080 ( -2.296 3.300 0.000) 4.021 9.489 ( -3.655 -2.426 0.000) 4.387 9.813 ( 16.302 3.665 0.000) 16.709 9.816 ( 0.497 2.639 0.000) 2.685 10.033 ( -31.149 1.363 0.000) 31.178 10.107 ( 33.030 -2.371 0.000) 33.115 10.170 ( 5.880 -0.484 0.000) 5.900 11.019 ( -21.312 5.195 0.000) 21.936 11.369 ( -2.431 -0.242 0.000) 2.443 11.565 ( -8.698 9.850 0.000) 13.140 12.337 ( -0.612 -9.868 0.000) 9.887 12.559 ( 0.858 -1.421 0.000) 1.660 13.074 ( -3.916 4.873 0.000) 6.251 13.078 ( -1.824 0.323 0.000) 1.852 13.197 ( 0.219 -8.365 0.000) 8.368 14.059 ( -7.715 -0.182 0.000) 7.718 14.243 ( -2.436 2.394 0.000) 3.416 14.340 ( 1.669 1.421 0.000) 2.192 14.665 ( 1.288 -1.563 0.000) 2.025 14.962 ( -3.653 1.427 0.000) 3.922 18.076 ( -9.410 0.036 0.000) 9.410 19.666 ( -13.906 -0.102 0.000) 13.906 21.181 ( 0.636 0.981 0.000) 1.169 21.847 ( -5.350 2.289 0.000) 5.819 22.961 ( -1.837 1.560 0.000) 2.410 23.019 ( 10.111 -2.362 0.000) 10.383 23.302 ( 16.992 -1.930 0.000) 17.101 23.492 ( 1.140 -0.032 0.000) 1.141 ======================= Grid point 48 (35/171) ======================= q-point: (-0.64 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -5.355 -1.819 0.000) 5.656 2.512 ( 2.607 -0.776 0.000) 2.720 2.866 ( -4.732 2.915 0.000) 5.558 2.899 ( -14.587 -9.480 0.000) 17.397 3.103 ( -7.091 -0.125 0.000) 7.092 3.464 ( 1.178 1.788 0.000) 2.142 3.506 ( 3.685 -3.405 0.000) 5.017 4.199 ( 4.170 -0.248 0.000) 4.178 4.250 ( -5.327 2.944 0.000) 6.086 4.391 ( -10.363 -2.036 0.000) 10.561 4.526 ( 9.819 0.212 0.000) 9.822 4.801 ( 0.754 -0.094 0.000) 0.760 5.871 ( -9.657 5.314 0.000) 11.023 6.646 ( 7.284 1.262 0.000) 7.393 6.720 ( -6.426 -2.289 0.000) 6.822 6.791 ( -17.592 -9.185 0.000) 19.845 7.961 ( -4.400 0.968 0.000) 4.505 8.046 ( 3.481 12.183 0.000) 12.671 8.108 ( 11.690 -8.738 0.000) 14.595 8.905 ( 26.861 -13.524 0.000) 30.073 9.007 ( -0.944 7.201 0.000) 7.263 9.355 ( -32.002 6.547 0.000) 32.665 9.435 ( -4.476 -4.527 0.000) 6.366 9.647 ( -14.914 1.024 0.000) 14.949 10.060 ( 5.375 10.757 0.000) 12.025 10.268 ( 7.742 -3.365 0.000) 8.441 10.562 ( -17.071 9.885 0.000) 19.726 10.716 ( 24.073 -4.063 0.000) 24.413 11.340 ( -6.256 15.650 0.000) 16.854 11.539 ( 16.048 -0.485 0.000) 16.055 12.271 ( -13.112 -17.676 0.000) 22.008 12.378 ( -19.601 -5.400 0.000) 20.332 12.937 ( -10.098 4.816 0.000) 11.188 12.964 ( -9.226 1.987 0.000) 9.438 13.147 ( -10.739 -9.502 0.000) 14.339 13.932 ( -6.594 -2.590 0.000) 7.085 14.060 ( -11.027 3.237 0.000) 11.492 14.299 ( -5.901 2.624 0.000) 6.458 14.615 ( -7.659 -1.547 0.000) 7.814 14.794 ( -9.607 0.594 0.000) 9.625 17.880 ( -11.663 -2.384 0.000) 11.904 19.394 ( -15.400 -3.596 0.000) 15.814 21.161 ( -1.989 1.757 0.000) 2.654 21.741 ( -5.282 2.262 0.000) 5.746 22.884 ( -4.256 0.505 0.000) 4.286 23.242 ( 10.463 0.341 0.000) 10.469 23.520 ( 2.036 0.850 0.000) 2.206 23.662 ( 19.094 0.274 0.000) 19.096 ======================= Grid point 49 (36/171) ======================= q-point: (-0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -19.304 -15.570 0.000) 24.800 2.474 ( -5.930 1.512 0.000) 6.120 2.696 ( -9.446 6.876 0.000) 11.684 2.777 ( -4.128 -1.727 0.000) 4.475 2.967 ( -6.512 -2.042 0.000) 6.825 3.430 ( -1.835 4.226 0.000) 4.607 3.605 ( 4.004 -1.290 0.000) 4.207 4.157 ( -4.143 -2.236 0.000) 4.708 4.230 ( -0.434 2.935 0.000) 2.967 4.232 ( -5.560 -3.571 0.000) 6.608 4.755 ( 12.824 5.300 0.000) 13.876 4.849 ( 3.395 -1.293 0.000) 3.633 5.735 ( -2.888 -2.647 0.000) 3.918 6.505 ( -15.881 -15.696 0.000) 22.329 6.601 ( -9.078 -7.253 0.000) 11.620 6.890 ( 17.396 10.708 0.000) 20.427 7.833 ( -19.297 5.491 0.000) 20.063 7.846 ( -5.579 1.801 0.000) 5.862 8.355 ( 7.630 -5.111 0.000) 9.184 8.677 ( -31.250 9.628 0.000) 32.700 8.929 ( -2.071 10.775 0.000) 10.972 9.315 ( 5.911 6.609 0.000) 8.867 9.387 ( -3.410 -5.876 0.000) 6.793 9.470 ( 1.324 -2.330 0.000) 2.680 9.928 ( -7.574 6.947 0.000) 10.277 10.181 ( -13.778 10.584 0.000) 17.374 10.339 ( -11.091 -6.944 0.000) 13.086 11.057 ( -9.594 19.562 0.000) 21.788 11.071 ( 3.578 -5.484 0.000) 6.548 11.757 ( 0.765 0.339 0.000) 0.837 12.152 ( -13.016 -15.641 0.000) 20.348 12.178 ( 4.494 -13.609 0.000) 14.332 12.380 ( -42.506 3.715 0.000) 42.668 12.737 ( -8.154 3.972 0.000) 9.070 13.098 ( 0.589 -6.221 0.000) 6.249 13.800 ( -11.533 -3.943 0.000) 12.189 13.909 ( -2.057 1.512 0.000) 2.553 14.091 ( -12.146 -3.240 0.000) 12.571 14.439 ( -7.874 0.842 0.000) 7.918 14.684 ( -2.681 -1.371 0.000) 3.011 17.653 ( -15.350 -6.911 0.000) 16.834 19.114 ( -18.635 -9.888 0.000) 21.096 21.054 ( -8.347 2.669 0.000) 8.763 21.560 ( -13.174 1.641 0.000) 13.276 22.785 ( -5.494 1.139 0.000) 5.610 23.394 ( 6.033 3.162 0.000) 6.811 23.554 ( 2.470 1.848 0.000) 3.085 24.025 ( 19.425 3.311 0.000) 19.705 ======================= Grid point 50 (37/171) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -17.174 -25.349 0.000) 30.619 2.283 ( -10.698 4.068 0.000) 11.445 2.442 ( -11.112 5.828 0.000) 12.548 2.701 ( -3.278 4.831 0.000) 5.838 2.889 ( -2.631 -0.158 0.000) 2.636 3.354 ( -3.432 2.806 0.000) 4.433 3.631 ( -1.492 4.444 0.000) 4.688 4.085 ( -3.247 -2.583 0.000) 4.149 4.171 ( -2.836 2.026 0.000) 3.485 4.269 ( 2.498 -8.888 0.000) 9.232 4.870 ( 3.856 13.098 0.000) 13.654 4.932 ( 3.776 -1.028 0.000) 3.914 5.746 ( -2.246 -8.606 0.000) 8.894 6.336 ( -11.839 -10.209 0.000) 15.633 6.486 ( -10.615 -15.903 0.000) 19.120 7.218 ( 25.602 16.534 0.000) 30.477 7.290 ( -33.775 -3.915 0.000) 34.001 7.754 ( -2.164 0.885 0.000) 2.338 8.049 ( -23.595 14.740 0.000) 27.820 8.306 ( -16.203 15.236 0.000) 22.241 8.810 ( -1.123 -2.787 0.000) 3.005 9.093 ( -18.929 16.222 0.000) 24.929 9.431 ( 3.065 -6.178 0.000) 6.897 9.495 ( -11.218 -2.657 0.000) 11.528 9.678 ( -21.155 -3.672 0.000) 21.471 9.780 ( -14.091 20.398 0.000) 24.792 10.052 ( -12.433 -8.060 0.000) 14.817 10.620 ( -27.871 12.898 0.000) 30.711 11.018 ( -8.271 -5.972 0.000) 10.201 11.438 ( -38.272 -0.485 0.000) 38.275 11.891 ( 8.863 -4.276 0.000) 9.841 11.926 ( -7.656 12.514 0.000) 14.670 12.562 ( 19.559 -7.865 0.000) 21.081 12.734 ( 5.042 -6.693 0.000) 8.380 13.242 ( 8.670 -11.335 0.000) 14.271 13.533 ( -16.296 -2.311 0.000) 16.459 13.917 ( -12.989 -10.763 0.000) 16.869 13.921 ( 3.420 1.671 0.000) 3.807 14.404 ( 5.158 -3.070 0.000) 6.003 14.668 ( -0.519 -1.374 0.000) 1.469 17.370 ( -21.566 -13.236 0.000) 25.304 18.803 ( -24.018 -18.666 0.000) 30.419 20.760 ( -20.618 3.996 0.000) 21.001 21.172 ( -26.894 0.010 0.000) 26.894 22.657 ( -6.222 2.182 0.000) 6.593 23.421 ( 0.520 7.249 0.000) 7.268 23.592 ( 3.116 2.767 0.000) 4.167 24.364 ( 18.927 5.729 0.000) 19.775 ======================= Grid point 51 (38/171) ======================= q-point: (-0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -6.299 -20.808 0.000) 21.740 2.042 ( -10.372 6.256 0.000) 12.112 2.200 ( -9.885 3.887 0.000) 10.621 2.581 ( -4.426 5.284 0.000) 6.893 2.862 ( 0.642 2.426 0.000) 2.510 3.260 ( -4.841 -0.076 0.000) 4.842 3.477 ( -8.327 9.657 0.000) 12.751 4.083 ( -0.188 -1.622 0.000) 1.633 4.093 ( -5.888 -1.437 0.000) 6.060 4.372 ( -0.178 -8.390 0.000) 8.392 4.709 ( -9.530 9.271 0.000) 13.296 4.971 ( -2.363 -0.946 0.000) 2.545 5.704 ( -8.872 -5.706 0.000) 10.549 6.148 ( -12.207 -0.381 0.000) 12.213 6.355 ( -22.090 -15.666 0.000) 27.081 6.716 ( -24.335 -15.520 0.000) 28.863 7.381 ( -11.788 20.044 0.000) 23.253 7.553 ( -21.656 7.535 0.000) 22.930 7.734 ( -6.402 6.147 0.000) 8.875 7.896 ( 12.585 4.542 0.000) 13.380 8.360 ( -38.433 19.845 0.000) 43.254 8.906 ( 2.665 -5.149 0.000) 5.798 8.941 ( -33.286 8.089 0.000) 34.255 9.140 ( -28.218 -4.106 0.000) 28.515 9.447 ( -18.851 12.351 0.000) 22.537 9.582 ( 3.524 -1.301 0.000) 3.757 9.795 ( -32.714 2.331 0.000) 32.797 10.172 ( 6.423 -7.464 0.000) 9.847 10.663 ( -0.437 25.131 0.000) 25.135 11.406 ( 9.566 -18.161 0.000) 20.527 11.757 ( 3.652 28.089 0.000) 28.326 12.096 ( 7.947 -5.129 0.000) 9.458 12.905 ( 2.236 -16.598 0.000) 16.748 12.935 ( 14.264 -1.890 0.000) 14.389 13.227 ( -17.397 -2.636 0.000) 17.595 13.629 ( 19.327 -18.465 0.000) 26.730 13.742 ( -9.547 -5.718 0.000) 11.128 14.005 ( 7.826 1.914 0.000) 8.057 14.633 ( 8.341 1.641 0.000) 8.501 14.710 ( 7.284 -14.964 0.000) 16.643 16.996 ( -29.123 -20.231 0.000) 35.461 18.446 ( -29.784 -28.238 0.000) 41.042 20.171 ( -36.913 5.754 0.000) 37.359 20.507 ( -42.646 -2.461 0.000) 42.717 22.523 ( -5.219 4.174 0.000) 6.683 23.321 ( -3.304 12.174 0.000) 12.615 23.637 ( 3.818 3.550 0.000) 5.214 24.683 ( 18.775 7.039 0.000) 20.051 ======================= Grid point 52 (39/171) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -13.241 11.542 0.000) 17.565 1.933 ( -6.242 11.209 0.000) 12.830 2.042 ( -4.479 0.500 0.000) 4.507 2.580 ( 4.889 -13.194 0.000) 14.071 2.882 ( 4.449 5.501 0.000) 7.076 3.193 ( -2.101 -1.741 0.000) 2.729 3.217 ( -10.118 10.937 0.000) 14.899 3.898 ( -15.993 18.203 0.000) 24.231 3.932 ( -12.561 -3.168 0.000) 12.954 4.390 ( -0.246 -8.895 0.000) 8.899 4.579 ( -5.984 -17.262 0.000) 18.270 4.696 ( -26.833 14.226 0.000) 30.371 5.468 ( -12.325 -2.129 0.000) 12.507 5.743 ( -42.201 -5.566 0.000) 42.567 5.925 ( -11.314 -6.068 0.000) 12.838 6.613 ( -16.704 -28.388 0.000) 32.937 6.889 ( -23.881 -4.795 0.000) 24.357 6.960 ( -34.768 -9.817 0.000) 36.127 7.651 ( 0.263 11.394 0.000) 11.397 7.669 ( -11.334 29.027 0.000) 31.161 8.094 ( 4.201 18.306 0.000) 18.782 8.267 ( -23.565 12.444 0.000) 26.649 8.478 ( -21.106 2.890 0.000) 21.302 8.981 ( -18.855 7.689 0.000) 20.362 9.195 ( -4.082 -5.428 0.000) 6.792 9.348 ( 12.033 -3.853 0.000) 12.635 9.744 ( 8.003 0.201 0.000) 8.005 10.489 ( 16.563 -8.503 0.000) 18.618 10.698 ( 19.175 32.715 0.000) 37.921 11.622 ( 0.445 23.710 0.000) 23.715 11.736 ( 10.699 -13.321 0.000) 17.086 12.290 ( 8.754 -7.904 0.000) 11.794 12.854 ( -21.635 -3.776 0.000) 21.962 13.046 ( -3.481 -21.979 0.000) 22.253 13.148 ( 6.884 -1.412 0.000) 7.027 13.675 ( 1.744 1.995 0.000) 2.650 13.930 ( 2.378 -3.188 0.000) 3.977 14.473 ( 36.640 -11.769 0.000) 38.484 14.645 ( -1.221 1.543 0.000) 1.968 15.166 ( 20.497 -19.994 0.000) 28.633 16.540 ( -33.580 -24.955 0.000) 41.837 18.049 ( -33.675 -33.805 0.000) 47.716 19.268 ( -50.342 7.149 0.000) 50.847 19.565 ( -56.111 -3.946 0.000) 56.249 22.392 ( -3.886 8.782 0.000) 9.604 23.146 ( -3.969 15.595 0.000) 16.093 23.685 ( 3.804 4.387 0.000) 5.806 24.996 ( 18.424 6.450 0.000) 19.520 ======================= Grid point 53 (40/171) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -14.611 16.375 0.000) 21.946 1.629 ( -7.949 26.849 0.000) 28.001 1.999 ( -0.578 -0.339 0.000) 0.670 2.878 ( 10.227 -13.660 0.000) 17.065 2.909 ( 2.001 32.239 0.000) 32.301 3.001 ( -0.817 -6.701 0.000) 6.751 3.206 ( -0.963 -1.321 0.000) 1.635 3.442 ( -7.679 14.891 0.000) 16.755 3.684 ( -14.053 -4.622 0.000) 14.794 3.863 ( -34.728 25.275 0.000) 42.952 4.415 ( -9.203 -8.548 0.000) 12.560 4.662 ( 0.229 -14.682 0.000) 14.684 4.980 ( -32.123 -10.057 0.000) 33.661 5.411 ( -1.469 -14.816 0.000) 14.889 5.744 ( -14.725 -11.913 0.000) 18.940 5.967 ( -42.619 -12.247 0.000) 44.344 6.510 ( -15.937 -1.652 0.000) 16.023 6.971 ( 4.664 -27.949 0.000) 28.335 7.360 ( -3.045 27.235 0.000) 27.405 7.590 ( 3.731 12.165 0.000) 12.724 7.944 ( -6.393 2.913 0.000) 7.025 7.989 ( 2.825 12.801 0.000) 13.109 8.213 ( -9.540 3.135 0.000) 10.042 8.632 ( -9.788 11.950 0.000) 15.447 9.120 ( -2.119 -5.670 0.000) 6.053 9.776 ( 13.725 -1.699 0.000) 13.829 10.049 ( 29.671 4.261 0.000) 29.975 10.827 ( 15.071 29.755 0.000) 33.354 10.860 ( 14.705 -6.815 0.000) 16.208 11.423 ( -9.855 8.250 0.000) 12.852 11.955 ( 4.689 -6.403 0.000) 7.936 12.414 ( -24.190 -2.168 0.000) 24.287 12.595 ( 15.747 -11.861 0.000) 19.714 13.167 ( 0.925 -21.412 0.000) 21.432 13.210 ( -2.847 -2.773 0.000) 3.974 13.780 ( 12.185 5.377 0.000) 13.319 13.943 ( -1.559 -2.076 0.000) 2.596 14.555 ( -9.795 -2.339 0.000) 10.070 15.308 ( 36.301 -7.672 0.000) 37.103 15.642 ( 9.630 -13.983 0.000) 16.979 16.122 ( -22.727 -22.821 0.000) 32.207 17.646 ( -25.971 -26.165 0.000) 36.866 18.219 ( -49.287 5.006 0.000) 49.540 18.488 ( -52.906 -4.750 0.000) 53.119 22.237 ( -2.738 17.448 0.000) 17.662 22.976 ( -2.186 14.235 0.000) 14.402 23.713 ( 2.461 5.507 0.000) 6.032 25.293 ( 14.651 2.558 0.000) 14.873 ======================= Grid point 54 (41/171) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.000 20.427 0.000) 20.427 1.339 ( 0.000 30.172 0.000) 30.172 2.002 ( -0.000 -0.529 0.000) 0.529 2.586 ( 0.000 50.194 0.000) 50.194 2.929 ( 0.000 10.525 0.000) 10.525 3.129 ( -0.000 -5.119 0.000) 5.119 3.166 ( -0.000 -11.414 0.000) 11.414 3.302 ( 0.000 13.518 0.000) 13.518 3.562 ( 0.000 6.584 0.000) 6.584 3.573 ( -0.000 -6.219 0.000) 6.219 4.157 ( -0.000 -15.210 0.000) 15.210 4.674 ( -0.000 -5.433 0.000) 5.433 4.943 ( -0.000 -13.047 0.000) 13.047 5.547 ( -0.000 -17.125 0.000) 17.125 5.563 ( -0.000 -12.256 0.000) 12.256 5.634 ( -0.000 -14.640 0.000) 14.640 6.352 ( 0.000 3.048 0.000) 3.048 7.132 ( 0.000 25.247 0.000) 25.247 7.266 ( -0.000 -29.398 0.000) 29.398 7.579 ( 0.000 12.820 0.000) 12.820 7.873 ( 0.000 0.936 0.000) 0.936 7.964 ( -0.000 -0.115 0.000) 0.115 8.085 ( 0.000 9.017 0.000) 9.017 8.451 ( 0.000 11.621 0.000) 11.621 9.152 ( -0.000 -6.211 0.000) 6.211 9.914 ( -0.000 -0.541 0.000) 0.541 10.552 ( -0.000 -5.395 0.000) 5.395 10.791 ( 0.000 27.670 0.000) 27.670 11.059 ( -0.000 -1.641 0.000) 1.641 11.159 ( 0.000 3.944 0.000) 3.944 12.034 ( -0.000 -4.556 0.000) 4.556 12.121 ( -0.000 -0.384 0.000) 0.384 12.972 ( -0.000 -15.133 0.000) 15.133 13.086 ( 0.000 1.416 0.000) 1.416 13.358 ( -0.000 -23.176 0.000) 23.176 13.942 ( -0.000 -5.203 0.000) 5.203 14.081 ( -0.000 -0.637 0.000) 0.637 14.267 ( 0.000 0.239 0.000) 0.239 15.583 ( 0.000 14.605 0.000) 14.605 15.679 ( -0.000 -10.290 0.000) 10.290 16.130 ( -0.000 -10.632 0.000) 10.632 17.612 ( -0.000 -0.779 0.000) 0.779 17.721 ( -0.000 -28.540 0.000) 28.540 17.811 ( -0.000 -0.540 0.000) 0.540 22.051 ( 0.000 26.327 0.000) 26.327 22.871 ( 0.000 9.674 0.000) 9.674 23.695 ( 0.000 6.814 0.000) 6.814 25.460 ( -0.000 -1.895 0.000) 1.895 ======================= Grid point 61 (42/171) ======================= q-point: (-0.71 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -9.752 -0.000 0.000) 9.752 2.506 ( 3.613 0.000 0.000) 3.613 2.836 ( -10.969 -0.000 0.000) 10.969 2.895 ( -2.683 -0.000 0.000) 2.683 3.097 ( -8.641 -0.000 0.000) 8.641 3.477 ( 2.113 0.000 0.000) 2.113 3.477 ( 4.191 0.000 0.000) 4.191 4.196 ( 4.630 0.000 0.000) 4.630 4.281 ( -6.006 -0.000 0.000) 6.006 4.366 ( -12.049 -0.000 0.000) 12.049 4.527 ( 11.062 0.000 0.000) 11.062 4.799 ( -0.041 -0.000 0.000) 0.041 5.922 ( -10.637 -0.000 0.000) 10.637 6.610 ( -10.030 -0.000 0.000) 10.030 6.703 ( -7.127 -0.000 0.000) 7.127 6.764 ( 0.027 0.000 0.000) 0.027 7.958 ( -2.613 -0.000 0.000) 2.613 8.049 ( 10.669 0.000 0.000) 10.669 8.144 ( -1.405 -0.000 0.000) 1.405 8.793 ( 32.516 0.000 0.000) 32.516 9.063 ( 0.025 0.000 0.000) 0.025 9.399 ( -4.888 -0.000 0.000) 4.888 9.407 ( -32.175 -0.000 0.000) 32.175 9.653 ( -13.428 -0.000 0.000) 13.428 10.185 ( -3.942 -0.000 0.000) 3.942 10.196 ( 16.143 0.000 0.000) 16.143 10.639 ( -18.968 -0.000 0.000) 18.968 10.684 ( 26.013 0.000 0.000) 26.013 11.481 ( -3.892 -0.000 0.000) 3.892 11.536 ( 16.671 0.000 0.000) 16.671 12.118 ( -15.400 -0.000 0.000) 15.400 12.334 ( -21.980 -0.000 0.000) 21.980 12.978 ( -8.438 -0.000 0.000) 8.438 13.021 ( -17.293 -0.000 0.000) 17.293 13.030 ( -2.158 -0.000 0.000) 2.158 13.913 ( -7.455 -0.000 0.000) 7.455 14.084 ( -11.891 -0.000 0.000) 11.891 14.320 ( -6.195 -0.000 0.000) 6.195 14.602 ( -6.694 -0.000 0.000) 6.694 14.798 ( -10.794 -0.000 0.000) 10.794 17.863 ( -12.536 -0.000 0.000) 12.536 19.369 ( -16.574 -0.000 0.000) 16.574 21.174 ( -1.965 -0.000 0.000) 1.965 21.758 ( -5.704 -0.000 0.000) 5.704 22.888 ( -4.228 -0.000 0.000) 4.228 23.244 ( 11.215 0.000 0.000) 11.215 23.526 ( 2.190 0.000 0.000) 2.190 23.663 ( 20.120 0.000 0.000) 20.120 ======================= Grid point 63 (43/171) ======================= q-point: (-0.64 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -25.681 -7.915 0.000) 26.873 2.486 ( -5.413 0.308 0.000) 5.421 2.785 ( 1.220 1.034 0.000) 1.599 2.808 ( -7.304 8.411 0.000) 11.140 2.913 ( -7.691 -5.810 0.000) 9.639 3.477 ( -1.190 1.907 0.000) 2.248 3.586 ( 6.136 -0.916 0.000) 6.204 4.139 ( -7.022 0.140 0.000) 7.024 4.189 ( -6.033 -2.516 0.000) 6.537 4.257 ( 0.770 0.939 0.000) 1.214 4.808 ( 16.093 1.993 0.000) 16.216 4.829 ( 3.024 -1.113 0.000) 3.222 5.740 ( -6.378 1.799 0.000) 6.627 6.325 ( -14.021 -8.024 0.000) 16.155 6.529 ( -12.086 -2.744 0.000) 12.393 7.004 ( 18.697 4.672 0.000) 19.272 7.858 ( -5.834 0.182 0.000) 5.837 7.874 ( -25.720 1.154 0.000) 25.746 8.284 ( 11.006 -3.413 0.000) 11.523 8.779 ( -29.145 3.989 0.000) 29.417 9.074 ( 2.026 7.802 0.000) 8.061 9.306 ( -5.522 -4.899 0.000) 7.382 9.329 ( 17.461 -1.907 0.000) 17.565 9.482 ( -2.783 2.459 0.000) 3.714 10.028 ( -9.323 5.983 0.000) 11.078 10.238 ( -17.403 -6.088 0.000) 18.437 10.319 ( -11.155 6.314 0.000) 12.818 11.008 ( 0.817 -2.773 0.000) 2.891 11.304 ( -12.181 12.555 0.000) 17.494 11.812 ( -1.378 7.717 0.000) 7.839 11.941 ( -4.061 -11.251 0.000) 11.961 11.971 ( 2.035 -13.951 0.000) 14.098 12.431 ( -39.513 2.327 0.000) 39.581 12.789 ( -7.824 2.342 0.000) 8.167 13.032 ( 1.103 -2.647 0.000) 2.867 13.750 ( -11.056 -2.295 0.000) 11.292 13.926 ( -2.646 0.710 0.000) 2.740 14.065 ( -17.671 -0.667 0.000) 17.684 14.451 ( -7.123 0.623 0.000) 7.150 14.667 ( -2.870 -0.822 0.000) 2.985 17.587 ( -17.071 -2.421 0.000) 17.242 19.020 ( -20.929 -3.432 0.000) 21.208 21.081 ( -8.110 1.042 0.000) 8.176 21.579 ( -13.699 0.804 0.000) 13.722 22.795 ( -5.322 0.357 0.000) 5.334 23.423 ( 7.242 1.047 0.000) 7.317 23.571 ( 2.618 0.584 0.000) 2.682 24.054 ( 20.117 0.961 0.000) 20.140 ======================= Grid point 64 (44/171) ======================= q-point: (-0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -21.897 -20.192 0.000) 29.786 2.320 ( -10.134 1.458 0.000) 10.239 2.529 ( -13.146 5.699 0.000) 14.329 2.788 ( 0.946 5.471 0.000) 5.552 2.877 ( -1.057 -1.415 0.000) 1.766 3.412 ( -3.268 4.460 0.000) 5.529 3.687 ( 3.570 3.146 0.000) 4.758 4.023 ( -6.161 -4.994 0.000) 7.931 4.175 ( 1.134 -4.410 0.000) 4.554 4.197 ( -5.260 1.608 0.000) 5.500 4.919 ( 4.541 -0.749 0.000) 4.602 5.048 ( 10.585 10.733 0.000) 15.074 5.658 ( -3.698 -3.579 0.000) 5.146 6.185 ( -7.844 -9.696 0.000) 12.472 6.283 ( -17.449 -11.854 0.000) 21.095 7.231 ( -38.612 -3.558 0.000) 38.775 7.409 ( 28.624 10.057 0.000) 30.339 7.765 ( -3.057 0.428 0.000) 3.087 8.210 ( -25.579 7.605 0.000) 26.685 8.457 ( 0.518 4.183 0.000) 4.215 8.865 ( -15.262 12.161 0.000) 19.514 9.302 ( -15.938 11.242 0.000) 19.504 9.305 ( -5.682 -11.878 0.000) 13.167 9.427 ( -13.004 -3.210 0.000) 13.395 9.651 ( -20.107 -0.612 0.000) 20.116 9.943 ( -8.930 -6.528 0.000) 11.062 10.077 ( -7.202 18.233 0.000) 19.604 10.769 ( -36.714 7.667 0.000) 37.506 10.872 ( -6.087 -12.682 0.000) 14.067 11.469 ( -40.407 3.523 0.000) 40.560 11.875 ( 10.552 1.519 0.000) 10.661 12.030 ( 7.438 2.475 0.000) 7.839 12.433 ( 20.989 -9.430 0.000) 23.010 12.734 ( 4.418 5.698 0.000) 7.210 13.116 ( 4.810 -6.215 0.000) 7.859 13.491 ( -17.193 -3.939 0.000) 17.639 13.770 ( -15.058 -8.715 0.000) 17.399 13.945 ( 4.172 1.397 0.000) 4.400 14.377 ( 0.489 -0.877 0.000) 1.004 14.652 ( 0.072 -0.842 0.000) 0.845 17.225 ( -23.987 -7.130 0.000) 25.025 18.600 ( -27.220 -9.915 0.000) 28.969 20.806 ( -20.090 2.365 0.000) 20.229 21.179 ( -27.589 0.715 0.000) 27.598 22.678 ( -6.014 0.904 0.000) 6.081 23.500 ( 2.403 3.855 0.000) 4.542 23.620 ( 3.095 1.266 0.000) 3.344 24.420 ( 18.833 2.405 0.000) 18.986 ======================= Grid point 65 (45/171) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -3.209 -27.418 0.000) 27.605 2.104 ( -9.974 2.975 0.000) 10.408 2.259 ( -11.009 4.049 0.000) 11.730 2.735 ( -0.383 11.893 0.000) 11.899 2.874 ( 0.218 -0.366 0.000) 0.426 3.295 ( -4.861 4.823 0.000) 6.848 3.636 ( -3.365 11.795 0.000) 12.266 3.992 ( -2.404 -9.637 0.000) 9.933 4.069 ( -7.905 -2.003 0.000) 8.155 4.239 ( -0.338 -8.457 0.000) 8.464 4.950 ( -9.907 21.736 0.000) 23.888 4.959 ( -2.037 0.338 0.000) 2.065 5.603 ( -7.099 -8.160 0.000) 10.816 6.079 ( -17.169 -22.804 0.000) 28.544 6.112 ( -6.584 -4.238 0.000) 7.830 6.531 ( -35.440 -9.911 0.000) 36.800 7.615 ( -35.402 1.836 0.000) 35.449 7.662 ( -23.393 15.193 0.000) 27.893 7.791 ( -8.401 7.663 0.000) 11.371 8.023 ( 20.426 10.474 0.000) 22.955 8.634 ( -32.033 16.615 0.000) 36.086 8.827 ( 5.159 -5.980 0.000) 7.897 9.038 ( -21.744 -9.591 0.000) 23.765 9.060 ( -23.518 8.763 0.000) 25.098 9.601 ( 1.095 3.815 0.000) 3.969 9.606 ( -29.238 10.526 0.000) 31.075 9.822 ( -28.439 0.451 0.000) 28.442 10.057 ( -3.905 -7.852 0.000) 8.769 10.967 ( 7.906 8.305 0.000) 11.466 11.158 ( 9.396 -7.555 0.000) 12.057 12.069 ( 9.420 1.126 0.000) 9.487 12.121 ( 8.217 21.012 0.000) 22.562 12.749 ( -3.612 -2.981 0.000) 4.683 12.903 ( 18.973 -2.658 0.000) 19.158 13.189 ( -16.975 -3.455 0.000) 17.323 13.367 ( 15.624 -17.658 0.000) 23.578 13.634 ( -4.473 -9.801 0.000) 10.773 14.042 ( 7.658 2.857 0.000) 8.173 14.503 ( 7.602 -10.985 0.000) 13.359 14.675 ( 3.265 1.477 0.000) 3.584 16.759 ( -31.221 -13.285 0.000) 33.930 18.118 ( -32.005 -18.053 0.000) 36.746 20.241 ( -36.312 3.979 0.000) 36.529 20.492 ( -42.979 -0.114 0.000) 42.979 22.562 ( -4.776 1.718 0.000) 5.075 23.468 ( -0.953 8.340 0.000) 8.395 23.674 ( 3.641 1.826 0.000) 4.073 24.753 ( 17.611 3.191 0.000) 17.898 ======================= Grid point 66 (46/171) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 10.558 -15.603 0.000) 18.839 1.878 ( -11.413 5.861 0.000) 12.830 2.064 ( -5.949 2.414 0.000) 6.420 2.618 ( 0.378 15.465 0.000) 15.470 2.896 ( 1.369 -1.477 0.000) 2.014 3.193 ( -2.152 1.811 0.000) 2.812 3.439 ( -4.602 17.451 0.000) 18.047 3.892 ( -12.714 -2.523 0.000) 12.961 4.023 ( -4.221 -5.398 0.000) 6.852 4.266 ( -3.156 -10.486 0.000) 10.951 4.477 ( -19.653 10.046 0.000) 22.072 4.780 ( -18.109 1.184 0.000) 18.147 5.461 ( -13.057 -4.361 0.000) 13.766 5.671 ( -37.085 -5.303 0.000) 37.462 5.898 ( -15.529 3.974 0.000) 16.029 6.188 ( -17.742 -30.013 0.000) 34.865 6.809 ( -44.978 -10.902 0.000) 46.280 6.856 ( -30.987 0.565 0.000) 30.992 7.753 ( 0.368 4.552 0.000) 4.567 8.077 ( -10.332 26.589 0.000) 28.526 8.377 ( 9.291 20.403 0.000) 22.419 8.420 ( -28.810 9.010 0.000) 30.187 8.505 ( -23.090 0.646 0.000) 23.099 9.108 ( -14.667 10.517 0.000) 18.048 9.114 ( -5.528 -6.106 0.000) 8.237 9.285 ( 13.658 -4.983 0.000) 14.538 9.762 ( 8.594 2.412 0.000) 8.926 10.345 ( 15.975 -11.546 0.000) 19.711 11.094 ( 13.825 19.270 0.000) 23.716 11.515 ( 14.647 -13.733 0.000) 20.078 11.962 ( -8.513 23.553 0.000) 25.044 12.231 ( 8.310 -0.464 0.000) 8.323 12.728 ( -5.495 -15.476 0.000) 16.423 12.849 ( -18.544 -3.983 0.000) 18.967 13.139 ( 6.466 0.428 0.000) 6.480 13.706 ( 7.320 2.334 0.000) 7.683 13.848 ( 11.472 -9.631 0.000) 14.979 14.353 ( 32.837 -4.471 0.000) 33.140 14.614 ( -4.115 -7.023 0.000) 8.140 14.954 ( 22.890 -8.924 0.000) 24.569 16.233 ( -33.120 -18.404 0.000) 37.890 17.648 ( -30.653 -23.352 0.000) 38.535 19.356 ( -50.737 5.235 0.000) 51.006 19.536 ( -55.072 -0.719 0.000) 55.077 22.471 ( -2.912 3.286 0.000) 4.391 23.358 ( -2.075 13.598 0.000) 13.755 23.731 ( 3.587 2.311 0.000) 4.267 25.057 ( 15.725 2.614 0.000) 15.940 ======================= Grid point 67 (47/171) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -12.852 11.167 0.000) 17.026 1.961 ( -1.992 18.236 0.000) 18.345 1.995 ( -1.052 -0.095 0.000) 1.056 2.715 ( 13.454 -5.118 0.000) 14.394 2.932 ( -0.223 -3.134 0.000) 3.142 3.199 ( 1.253 0.264 0.000) 1.281 3.294 ( 6.180 21.443 0.000) 22.316 3.630 ( -14.019 -1.493 0.000) 14.098 3.687 ( -12.988 17.766 0.000) 22.007 4.180 ( -33.819 16.611 0.000) 37.678 4.284 ( -2.768 -8.999 0.000) 9.415 4.426 ( 2.771 -18.729 0.000) 18.933 4.891 ( -38.562 -1.811 0.000) 38.604 5.274 ( -5.007 -5.714 0.000) 7.597 5.587 ( -16.998 -7.141 0.000) 18.437 5.761 ( -40.064 -16.790 0.000) 43.440 6.473 ( -12.508 -3.634 0.000) 13.025 6.513 ( -4.186 -34.807 0.000) 35.058 7.722 ( 2.251 7.301 0.000) 7.640 7.777 ( -2.121 29.371 0.000) 29.447 7.992 ( -10.911 3.508 0.000) 11.461 8.092 ( -10.787 2.099 0.000) 10.990 8.355 ( -0.934 15.698 0.000) 15.725 8.819 ( -6.708 14.396 0.000) 15.882 9.038 ( -2.012 -5.809 0.000) 6.148 9.725 ( 12.211 -5.252 0.000) 13.292 10.096 ( 29.227 2.764 0.000) 29.358 10.738 ( 15.654 -9.967 0.000) 18.557 11.190 ( 9.489 19.487 0.000) 21.675 11.552 ( -19.566 8.973 0.000) 21.526 11.828 ( 7.385 -11.053 0.000) 13.293 12.389 ( -22.758 -1.464 0.000) 22.805 12.443 ( 11.702 -7.425 0.000) 13.859 12.891 ( 2.772 -16.705 0.000) 16.934 13.180 ( -2.479 -1.141 0.000) 2.728 13.863 ( 12.651 6.289 0.000) 14.128 13.942 ( 0.095 0.879 0.000) 0.884 14.504 ( -11.821 -4.824 0.000) 12.767 15.215 ( 40.248 -5.152 0.000) 40.577 15.515 ( 25.224 -5.244 0.000) 25.763 15.832 ( -16.140 -18.679 0.000) 24.686 17.308 ( -18.537 -21.608 0.000) 28.470 18.281 ( -53.059 3.909 0.000) 53.202 18.452 ( -53.263 -0.971 0.000) 53.272 22.397 ( -1.469 6.474 0.000) 6.639 23.211 ( -1.554 17.467 0.000) 17.536 23.773 ( 2.354 2.990 0.000) 3.805 25.310 ( 10.794 0.249 0.000) 10.797 ======================= Grid point 68 (48/171) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 0.000 15.572 0.000) 15.572 1.748 ( 0.000 27.485 0.000) 27.485 1.994 ( -0.000 -0.741 0.000) 0.741 2.928 ( 0.000 0.481 0.000) 0.481 2.987 ( -0.000 -12.360 0.000) 12.360 3.060 ( 0.000 7.783 0.000) 7.783 3.353 ( 0.000 33.179 0.000) 33.179 3.468 ( -0.000 -3.223 0.000) 3.223 3.540 ( 0.000 14.826 0.000) 14.826 3.690 ( 0.000 11.804 0.000) 11.804 4.047 ( -0.000 -0.131 0.000) 0.131 4.491 ( -0.000 -18.943 0.000) 18.943 4.772 ( -0.000 -11.861 0.000) 11.861 5.366 ( -0.000 -6.470 0.000) 6.470 5.370 ( -0.000 -15.017 0.000) 15.017 5.401 ( -0.000 -18.334 0.000) 18.334 6.374 ( -0.000 -0.404 0.000) 0.404 6.768 ( -0.000 -38.653 0.000) 38.653 7.547 ( 0.000 30.589 0.000) 30.589 7.724 ( 0.000 8.018 0.000) 8.018 7.886 ( 0.000 0.859 0.000) 0.859 7.962 ( -0.000 -0.109 0.000) 0.109 8.248 ( 0.000 13.813 0.000) 13.813 8.646 ( 0.000 15.370 0.000) 15.370 9.067 ( -0.000 -5.868 0.000) 5.868 9.876 ( -0.000 -4.885 0.000) 4.885 10.498 ( -0.000 -2.159 0.000) 2.159 11.007 ( -0.000 -5.822 0.000) 5.822 11.150 ( 0.000 21.952 0.000) 21.952 11.215 ( 0.000 3.965 0.000) 3.965 11.955 ( -0.000 -7.241 0.000) 7.241 12.114 ( -0.000 -0.479 0.000) 0.479 12.714 ( -0.000 -18.286 0.000) 18.286 13.055 ( -0.000 -19.113 0.000) 19.113 13.106 ( 0.000 1.417 0.000) 1.417 13.923 ( 0.000 1.448 0.000) 1.448 14.087 ( 0.000 1.077 0.000) 1.077 14.270 ( 0.000 0.237 0.000) 0.237 15.520 ( -0.000 -11.963 0.000) 11.963 15.759 ( 0.000 10.545 0.000) 10.545 16.029 ( -0.000 -4.256 0.000) 4.256 17.338 ( -0.000 -25.231 0.000) 25.231 17.601 ( -0.000 -0.784 0.000) 0.784 17.803 ( -0.000 -0.541 0.000) 0.541 22.318 ( 0.000 11.875 0.000) 11.875 23.068 ( 0.000 17.571 0.000) 17.571 23.772 ( 0.000 4.114 0.000) 4.114 25.433 ( -0.000 -1.920 0.000) 1.920 ======================= Grid point 77 (49/171) ======================= q-point: (-0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -23.968 -0.000 0.000) 23.968 2.330 ( -9.840 -0.000 0.000) 9.840 2.575 ( -15.217 -0.000 0.000) 15.217 2.829 ( 2.058 0.000 0.000) 2.058 2.862 ( 0.318 0.000 0.000) 0.318 3.449 ( -2.461 -0.000 0.000) 2.461 3.710 ( 5.946 0.000 0.000) 5.946 3.982 ( -7.958 -0.000 0.000) 7.958 4.143 ( 0.580 0.000 0.000) 0.580 4.210 ( -6.251 -0.000 0.000) 6.251 4.913 ( 5.546 0.000 0.000) 5.546 5.131 ( 15.004 0.000 0.000) 15.004 5.637 ( -5.591 -0.000 0.000) 5.591 6.108 ( -5.979 -0.000 0.000) 5.979 6.192 ( -21.786 -0.000 0.000) 21.786 7.204 ( -39.965 -0.000 0.000) 39.965 7.483 ( 29.328 0.000 0.000) 29.328 7.766 ( -3.143 -0.000 0.000) 3.143 8.262 ( -26.892 -0.000 0.000) 26.892 8.470 ( 7.714 0.000 0.000) 7.714 9.068 ( -21.485 -0.000 0.000) 21.485 9.122 ( -10.161 -0.000 0.000) 10.161 9.356 ( -18.862 -0.000 0.000) 18.862 9.437 ( -6.419 -0.000 0.000) 6.419 9.648 ( -18.683 -0.000 0.000) 18.683 9.893 ( -7.291 -0.000 0.000) 7.291 10.226 ( -6.907 -0.000 0.000) 6.907 10.755 ( -10.098 -0.000 0.000) 10.098 10.824 ( -40.434 -0.000 0.000) 40.434 11.499 ( -36.535 -0.000 0.000) 36.535 11.898 ( 11.138 0.000 0.000) 11.138 12.038 ( 12.611 0.000 0.000) 12.611 12.352 ( 20.662 0.000 0.000) 20.662 12.799 ( 8.399 0.000 0.000) 8.399 13.072 ( 3.630 0.000 0.000) 3.630 13.448 ( -19.574 -0.000 0.000) 19.574 13.707 ( -17.152 -0.000 0.000) 17.152 13.955 ( 4.455 0.000 0.000) 4.455 14.372 ( -1.184 -0.000 0.000) 1.184 14.646 ( 0.538 0.000 0.000) 0.538 17.174 ( -24.836 -0.000 0.000) 24.836 18.530 ( -28.322 -0.000 0.000) 28.322 20.823 ( -19.933 -0.000 0.000) 19.933 21.185 ( -27.829 -0.000 0.000) 27.829 22.685 ( -5.976 -0.000 0.000) 5.976 23.527 ( 3.080 0.000 0.000) 3.080 23.628 ( 3.077 0.000 0.000) 3.077 24.436 ( 18.785 0.000 0.000) 18.785 ======================= Grid point 79 (50/171) ======================= q-point: (-0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -0.702 -12.399 0.000) 12.419 2.131 ( -9.934 0.915 0.000) 9.976 2.302 ( -11.820 1.716 0.000) 11.944 2.856 ( 2.371 4.552 0.000) 5.133 2.864 ( -0.377 -0.629 0.000) 0.734 3.375 ( -3.726 4.773 0.000) 6.055 3.770 ( 1.157 5.852 0.000) 5.966 3.863 ( -6.087 -6.489 0.000) 8.897 4.040 ( -10.785 -1.756 0.000) 10.927 4.156 ( -1.395 -3.106 0.000) 3.405 4.982 ( 0.162 1.930 0.000) 1.937 5.258 ( -1.820 19.070 0.000) 19.157 5.501 ( -10.385 -4.912 0.000) 11.488 5.760 ( -24.286 -19.597 0.000) 31.207 6.058 ( -1.569 -2.437 0.000) 2.898 6.439 ( -37.903 -3.217 0.000) 38.039 7.625 ( -42.195 0.070 0.000) 42.195 7.731 ( -4.528 0.633 0.000) 4.572 7.989 ( -44.846 11.627 0.000) 46.329 8.137 ( 33.647 4.592 0.000) 33.959 8.754 ( 5.454 -3.347 0.000) 6.399 8.786 ( -27.543 5.014 0.000) 27.995 8.909 ( -15.727 -6.598 0.000) 17.055 9.166 ( -22.399 4.754 0.000) 22.898 9.680 ( -2.344 6.892 0.000) 7.280 9.736 ( -32.777 6.548 0.000) 33.424 9.781 ( -6.068 -6.167 0.000) 8.652 9.985 ( -27.198 -2.029 0.000) 27.273 10.819 ( 7.658 -10.943 0.000) 13.356 11.283 ( 12.910 8.388 0.000) 15.396 12.107 ( 10.370 2.875 0.000) 10.761 12.279 ( 11.979 2.919 0.000) 12.330 12.862 ( 29.412 -2.574 0.000) 29.524 12.871 ( -10.825 17.291 0.000) 20.399 13.097 ( -13.143 -11.311 0.000) 17.340 13.178 ( 6.298 -7.573 0.000) 9.850 13.498 ( -0.881 -6.897 0.000) 6.953 14.073 ( 8.112 1.242 0.000) 8.206 14.399 ( 2.393 -3.632 0.000) 4.349 14.689 ( 4.648 0.453 0.000) 4.670 16.631 ( -32.370 -4.671 0.000) 32.705 17.946 ( -33.049 -6.239 0.000) 33.633 20.279 ( -36.085 1.422 0.000) 36.113 20.494 ( -43.197 0.182 0.000) 43.197 22.577 ( -4.696 0.467 0.000) 4.719 23.548 ( 0.390 2.912 0.000) 2.938 23.691 ( 3.502 0.546 0.000) 3.545 24.780 ( 17.022 0.895 0.000) 17.046 ======================= Grid point 80 (51/171) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 22.425 -12.685 0.000) 25.764 1.932 ( -10.066 2.182 0.000) 10.300 2.100 ( -7.319 2.320 0.000) 7.678 2.854 ( 3.903 14.397 0.000) 14.917 2.871 ( 0.668 -1.596 0.000) 1.731 3.249 ( -3.837 6.276 0.000) 7.356 3.651 ( -5.902 11.982 0.000) 13.357 3.843 ( -4.489 -15.511 0.000) 16.147 3.854 ( -10.358 -3.415 0.000) 10.906 4.127 ( -4.515 -7.599 0.000) 8.839 4.759 ( -24.993 24.765 0.000) 35.184 4.825 ( -14.344 6.633 0.000) 15.804 5.315 ( -15.453 -13.940 0.000) 20.812 5.528 ( -24.116 -18.778 0.000) 30.564 5.857 ( -25.349 -12.899 0.000) 28.442 5.985 ( -8.211 5.376 0.000) 9.815 6.674 ( -53.065 -7.518 0.000) 53.595 6.901 ( -41.190 4.713 0.000) 41.459 7.800 ( 2.209 2.434 0.000) 3.286 8.372 ( -10.194 14.520 0.000) 17.741 8.489 ( -25.371 -1.764 0.000) 25.433 8.514 ( -32.558 4.194 0.000) 32.827 8.652 ( 13.310 17.701 0.000) 22.146 9.018 ( -0.578 -8.062 0.000) 8.083 9.216 ( 7.249 -4.221 0.000) 8.388 9.268 ( -11.408 11.134 0.000) 15.941 9.812 ( 7.287 4.455 0.000) 8.541 10.183 ( 17.043 -10.607 0.000) 20.074 11.070 ( 7.336 -14.350 0.000) 16.116 11.544 ( 17.250 10.912 0.000) 20.411 12.249 ( -21.258 15.838 0.000) 26.509 12.261 ( 8.450 3.747 0.000) 9.244 12.550 ( 0.516 -8.595 0.000) 8.610 12.814 ( -20.537 -1.951 0.000) 20.629 13.167 ( 5.149 3.513 0.000) 6.233 13.674 ( 25.499 -13.180 0.000) 28.704 13.739 ( 15.385 2.237 0.000) 15.547 14.335 ( 26.595 0.603 0.000) 26.602 14.477 ( -1.666 -9.859 0.000) 9.999 14.898 ( 20.003 -1.028 0.000) 20.029 16.030 ( -33.274 -10.155 0.000) 34.789 17.396 ( -28.863 -12.244 0.000) 31.353 19.413 ( -51.082 2.803 0.000) 51.159 19.534 ( -54.728 0.181 0.000) 54.729 22.500 ( -2.730 1.098 0.000) 2.943 23.509 ( -0.518 7.460 0.000) 7.478 23.753 ( 3.352 0.904 0.000) 3.471 25.080 ( 14.312 0.869 0.000) 14.338 ======================= Grid point 81 (52/171) ======================= q-point: (-0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -10.762 6.310 0.000) 12.476 1.998 ( -2.407 0.396 0.000) 2.439 2.093 ( 12.409 1.990 0.000) 12.567 2.811 ( 6.388 17.484 0.000) 18.614 2.909 ( 1.772 -0.452 0.000) 1.829 3.212 ( 1.564 1.358 0.000) 2.071 3.455 ( -7.063 2.572 0.000) 7.517 3.689 ( -3.327 7.845 0.000) 8.522 3.820 ( -7.710 -5.484 0.000) 9.462 4.177 ( 2.730 -14.082 0.000) 14.344 4.252 ( -6.452 9.752 0.000) 11.693 4.342 ( -27.065 10.241 0.000) 28.938 4.919 ( -37.540 4.055 0.000) 37.758 5.121 ( -13.630 -17.230 0.000) 21.969 5.509 ( -33.570 -17.767 0.000) 37.982 5.659 ( -13.051 15.288 0.000) 20.101 6.032 ( -17.186 -32.358 0.000) 36.639 6.409 ( -12.921 -5.261 0.000) 13.951 7.809 ( 1.958 5.263 0.000) 5.615 8.022 ( -13.090 2.679 0.000) 13.362 8.095 ( -12.977 -0.905 0.000) 13.009 8.152 ( -3.197 20.499 0.000) 20.746 8.575 ( -3.124 13.716 0.000) 14.068 8.968 ( -0.537 -3.477 0.000) 3.518 9.028 ( -4.779 14.813 0.000) 15.565 9.638 ( 11.027 -6.661 0.000) 12.882 10.131 ( 27.856 2.356 0.000) 27.955 10.595 ( 17.211 -9.739 0.000) 19.775 11.269 ( 4.106 -9.310 0.000) 10.175 11.655 ( -27.498 5.370 0.000) 28.018 11.754 ( 9.392 3.383 0.000) 9.982 12.373 ( -21.898 -0.780 0.000) 21.912 12.405 ( 8.426 0.999 0.000) 8.485 12.711 ( 4.397 -8.899 0.000) 9.926 13.177 ( -2.195 0.435 0.000) 2.238 13.949 ( 3.452 -0.024 0.000) 3.453 13.955 ( 11.318 6.607 0.000) 13.105 14.424 ( -9.275 -6.239 0.000) 11.178 15.173 ( 44.039 -0.676 0.000) 44.044 15.472 ( 33.657 -1.455 0.000) 33.689 15.596 ( -12.602 -14.749 0.000) 19.399 17.051 ( -15.568 -14.581 0.000) 21.330 18.327 ( -55.674 2.579 0.000) 55.733 18.449 ( -53.377 0.248 0.000) 53.378 22.452 ( -1.201 2.133 0.000) 2.448 23.428 ( -0.541 12.535 0.000) 12.547 23.801 ( 2.167 1.215 0.000) 2.485 25.308 ( 8.963 -0.337 0.000) 8.970 ======================= Grid point 82 (53/171) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 0.000 10.555 0.000) 10.555 1.982 ( -0.000 -0.891 0.000) 0.891 2.085 ( 0.000 19.245 0.000) 19.245 2.885 ( 0.000 0.070 0.000) 0.070 2.922 ( 0.000 0.712 0.000) 0.712 3.143 ( 0.000 4.136 0.000) 4.136 3.389 ( -0.000 -5.457 0.000) 5.457 3.691 ( 0.000 12.525 0.000) 12.525 3.814 ( 0.000 21.621 0.000) 21.621 3.888 ( 0.000 15.794 0.000) 15.794 4.105 ( -0.000 -2.854 0.000) 2.854 4.222 ( -0.000 -7.826 0.000) 7.826 4.602 ( -0.000 -11.763 0.000) 11.763 5.123 ( -0.000 -21.200 0.000) 21.200 5.147 ( -0.000 -16.442 0.000) 16.442 5.411 ( 0.000 12.801 0.000) 12.801 6.196 ( -0.000 -41.904 0.000) 41.904 6.337 ( -0.000 -4.824 0.000) 4.824 7.815 ( 0.000 5.274 0.000) 5.274 7.897 ( 0.000 0.639 0.000) 0.639 7.958 ( 0.000 26.386 0.000) 26.386 7.961 ( -0.000 -0.083 0.000) 0.083 8.450 ( 0.000 13.703 0.000) 13.703 8.870 ( 0.000 16.235 0.000) 16.235 8.993 ( -0.000 -4.149 0.000) 4.149 9.784 ( -0.000 -7.766 0.000) 7.766 10.487 ( 0.000 0.231 0.000) 0.231 10.901 ( -0.000 -8.764 0.000) 8.764 11.266 ( 0.000 3.212 0.000) 3.212 11.341 ( 0.000 1.944 0.000) 1.944 11.850 ( -0.000 -4.485 0.000) 4.485 12.108 ( -0.000 -0.465 0.000) 0.465 12.534 ( -0.000 -6.453 0.000) 6.453 12.834 ( -0.000 -12.112 0.000) 12.112 13.124 ( 0.000 1.137 0.000) 1.137 13.958 ( 0.000 2.850 0.000) 2.850 14.104 ( 0.000 1.177 0.000) 1.177 14.273 ( 0.000 0.188 0.000) 0.188 15.358 ( -0.000 -10.617 0.000) 10.617 15.881 ( 0.000 6.814 0.000) 6.814 15.994 ( -0.000 -1.238 0.000) 1.238 17.028 ( -0.000 -18.497 0.000) 18.497 17.591 ( -0.000 -0.632 0.000) 0.632 17.796 ( -0.000 -0.434 0.000) 0.434 22.420 ( 0.000 3.905 0.000) 3.905 23.318 ( 0.000 16.398 0.000) 16.398 23.813 ( 0.000 1.842 0.000) 1.842 25.408 ( -0.000 -1.555 0.000) 1.555 ======================= Grid point 93 (54/171) ======================= q-point: (-0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 27.394 0.000 0.000) 27.394 1.947 ( -9.713 -0.000 0.000) 9.713 2.118 ( -7.733 -0.000 0.000) 7.733 2.859 ( 0.783 0.000 0.000) 0.783 2.961 ( 7.511 0.000 0.000) 7.511 3.325 ( -3.959 -0.000 0.000) 3.959 3.698 ( -8.403 -0.000 0.000) 8.403 3.769 ( -15.430 -0.000 0.000) 15.430 3.794 ( -1.501 -0.000 0.000) 1.501 4.071 ( -5.110 -0.000 0.000) 5.110 4.915 ( -8.726 -0.000 0.000) 8.726 5.055 ( -31.224 -0.000 0.000) 31.224 5.171 ( -21.240 -0.000 0.000) 21.240 5.252 ( -13.716 -0.000 0.000) 13.716 5.790 ( -27.310 -0.000 0.000) 27.310 6.022 ( -3.562 -0.000 0.000) 3.562 6.618 ( -56.720 -0.000 0.000) 56.720 6.943 ( -45.696 -0.000 0.000) 45.696 7.819 ( 2.931 0.000 0.000) 2.931 8.471 ( -23.612 -0.000 0.000) 23.612 8.477 ( -8.969 -0.000 0.000) 8.969 8.540 ( -34.878 -0.000 0.000) 34.878 8.871 ( 11.691 0.000 0.000) 11.691 8.871 ( 6.118 0.000 0.000) 6.118 9.184 ( 0.661 0.000 0.000) 0.661 9.361 ( -10.691 -0.000 0.000) 10.691 9.857 ( 4.451 0.000 0.000) 4.451 10.092 ( 19.685 0.000 0.000) 19.685 10.945 ( 7.982 0.000 0.000) 7.982 11.629 ( 14.811 0.000 0.000) 14.811 12.296 ( 8.130 0.000 0.000) 8.130 12.364 ( -32.460 -0.000 0.000) 32.460 12.495 ( 6.747 0.000 0.000) 6.747 12.797 ( -20.059 -0.000 0.000) 20.059 13.207 ( 1.237 0.000 0.000) 1.237 13.558 ( 34.749 0.000 0.000) 34.749 13.758 ( 20.576 0.000 0.000) 20.576 14.342 ( 24.790 0.000 0.000) 24.790 14.398 ( -1.313 -0.000 0.000) 1.313 14.893 ( 18.647 0.000 0.000) 18.647 15.957 ( -33.509 -0.000 0.000) 33.509 17.309 ( -28.309 -0.000 0.000) 28.309 19.433 ( -51.214 -0.000 0.000) 51.214 19.536 ( -54.654 -0.000 0.000) 54.654 22.507 ( -2.710 -0.000 0.000) 2.710 23.562 ( 0.043 0.000 0.000) 0.043 23.759 ( 3.252 0.000 0.000) 3.252 25.085 ( 13.879 0.000 0.000) 13.879 ======================= Grid point 95 (55/171) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -9.193 1.996 0.000) 9.407 2.004 ( -3.808 0.298 0.000) 3.820 2.094 ( 21.005 -0.371 0.000) 21.008 2.909 ( 3.952 0.199 0.000) 3.957 3.102 ( 6.241 19.282 0.000) 20.267 3.231 ( -0.586 1.097 0.000) 1.244 3.464 ( -13.698 0.123 0.000) 13.698 3.596 ( -4.604 -18.490 0.000) 19.054 3.750 ( -1.924 0.976 0.000) 2.157 4.051 ( 3.935 -4.298 0.000) 5.827 4.508 ( -12.485 20.225 0.000) 23.768 4.546 ( -20.497 18.848 0.000) 27.846 4.840 ( -17.648 -21.448 0.000) 27.775 4.897 ( -28.828 -10.511 0.000) 30.684 5.367 ( -23.065 1.627 0.000) 23.122 5.643 ( -38.348 -20.801 0.000) 43.626 5.868 ( -8.160 10.198 0.000) 13.061 6.338 ( -17.024 -3.849 0.000) 17.454 7.866 ( 2.271 2.542 0.000) 3.408 8.044 ( -15.208 0.713 0.000) 15.225 8.078 ( -13.049 -1.070 0.000) 13.093 8.351 ( -2.564 7.230 0.000) 7.671 8.699 ( -7.797 3.552 0.000) 8.568 8.957 ( 2.725 1.252 0.000) 2.999 9.200 ( -4.119 7.666 0.000) 8.703 9.558 ( 10.335 -3.755 0.000) 10.996 10.159 ( 26.535 1.258 0.000) 26.565 10.488 ( 18.690 -4.496 0.000) 19.223 11.099 ( 4.200 -8.932 0.000) 9.870 11.702 ( -31.208 1.526 0.000) 31.246 11.824 ( 7.065 3.441 0.000) 7.858 12.367 ( -21.948 -0.069 0.000) 21.948 12.433 ( 6.740 1.757 0.000) 6.965 12.633 ( 4.934 -2.591 0.000) 5.573 13.185 ( -2.820 0.505 0.000) 2.864 13.943 ( 7.214 -0.482 0.000) 7.230 14.035 ( 9.020 3.828 0.000) 9.798 14.346 ( -5.354 -3.800 0.000) 6.566 15.190 ( 52.341 2.203 0.000) 52.387 15.431 ( -17.654 -7.527 0.000) 19.192 15.462 ( 36.916 -0.189 0.000) 36.916 16.909 ( -14.264 -5.194 0.000) 15.180 18.352 ( -57.027 0.908 0.000) 57.034 18.453 ( -53.541 0.205 0.000) 53.541 22.469 ( -1.166 0.509 0.000) 1.273 23.549 ( 0.064 4.411 0.000) 4.411 23.811 ( 2.033 0.289 0.000) 2.054 25.304 ( 8.218 -0.184 0.000) 8.220 ======================= Grid point 96 (56/171) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.000 5.480 0.000) 5.480 1.970 ( -0.000 -0.737 0.000) 0.737 2.267 ( 0.000 7.128 0.000) 7.128 2.949 ( 0.000 2.572 0.000) 2.572 3.008 ( 0.000 15.518 0.000) 15.518 3.183 ( 0.000 1.667 0.000) 1.667 3.327 ( -0.000 -3.159 0.000) 3.159 3.747 ( -0.000 -1.334 0.000) 1.334 3.823 ( -0.000 -23.134 0.000) 23.134 4.110 ( 0.000 14.576 0.000) 14.576 4.133 ( 0.000 23.499 0.000) 23.499 4.389 ( 0.000 9.523 0.000) 9.523 4.493 ( 0.000 4.782 0.000) 4.782 4.810 ( -0.000 -23.034 0.000) 23.034 4.923 ( -0.000 -14.369 0.000) 14.369 5.621 ( -0.000 -38.077 0.000) 38.077 5.660 ( 0.000 19.133 0.000) 19.133 6.244 ( -0.000 -7.968 0.000) 7.968 7.876 ( 0.000 3.254 0.000) 3.254 7.904 ( 0.000 0.338 0.000) 0.338 7.960 ( -0.000 -0.045 0.000) 0.045 8.252 ( 0.000 14.535 0.000) 14.535 8.594 ( 0.000 5.801 0.000) 5.801 8.971 ( 0.000 1.361 0.000) 1.361 9.085 ( 0.000 13.133 0.000) 13.133 9.675 ( -0.000 -7.015 0.000) 7.015 10.497 ( 0.000 0.913 0.000) 0.913 10.783 ( -0.000 -7.084 0.000) 7.084 11.220 ( -0.000 -13.303 0.000) 13.303 11.302 ( 0.000 1.801 0.000) 1.801 11.867 ( 0.000 3.964 0.000) 3.964 12.102 ( -0.000 -0.295 0.000) 0.295 12.505 ( 0.000 0.585 0.000) 0.585 12.713 ( -0.000 -5.450 0.000) 5.450 13.137 ( 0.000 0.631 0.000) 0.631 13.992 ( 0.000 1.862 0.000) 1.862 14.118 ( 0.000 0.703 0.000) 0.703 14.275 ( 0.000 0.103 0.000) 0.103 15.235 ( -0.000 -6.392 0.000) 6.392 15.952 ( 0.000 3.378 0.000) 3.378 15.985 ( -0.000 -0.212 0.000) 0.212 16.828 ( -0.000 -9.775 0.000) 9.775 17.584 ( -0.000 -0.352 0.000) 0.352 17.791 ( -0.000 -0.241 0.000) 0.241 22.452 ( 0.000 1.176 0.000) 1.176 23.501 ( 0.000 9.090 0.000) 9.090 23.828 ( 0.000 0.567 0.000) 0.567 25.390 ( -0.000 -0.868 0.000) 0.868 ======================= Grid point 110 (57/171) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 2.313 ( 0.000 0.000 0.000) 0.000 2.972 ( 0.000 0.000 0.000) 0.000 3.181 ( -0.000 -0.000 0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 3.304 ( 0.000 0.000 0.000) 0.000 3.602 ( 0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 0.000) 0.000 4.234 ( 0.000 0.000 0.000) 0.000 4.381 ( 0.000 0.000 0.000) 0.000 4.431 ( -0.000 -0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.680 ( -0.000 -0.000 0.000) 0.000 4.802 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.831 ( 0.000 0.000 0.000) 0.000 6.161 ( 0.000 0.000 0.000) 0.000 7.900 ( 0.000 0.000 0.000) 0.000 7.906 ( 0.000 0.000 0.000) 0.000 7.960 ( 0.000 0.000 0.000) 0.000 8.355 ( 0.000 0.000 0.000) 0.000 8.626 ( 0.000 0.000 0.000) 0.000 8.995 ( 0.000 0.000 0.000) 0.000 9.189 ( 0.000 0.000 0.000) 0.000 9.618 ( 0.000 0.000 0.000) 0.000 10.505 ( 0.000 0.000 0.000) 0.000 10.728 ( 0.000 0.000 0.000) 0.000 11.108 ( 0.000 0.000 0.000) 0.000 11.315 ( 0.000 0.000 0.000) 0.000 11.900 ( 0.000 0.000 0.000) 0.000 12.100 ( 0.000 0.000 0.000) 0.000 12.514 ( 0.000 0.000 0.000) 0.000 12.675 ( 0.000 0.000 0.000) 0.000 13.142 ( 0.000 0.000 0.000) 0.000 14.006 ( 0.000 0.000 0.000) 0.000 14.123 ( 0.000 0.000 0.000) 0.000 14.276 ( 0.000 0.000 0.000) 0.000 15.188 ( 0.000 0.000 0.000) 0.000 15.976 ( 0.000 0.000 0.000) 0.000 15.984 ( 0.000 0.000 0.000) 0.000 16.758 ( 0.000 0.000 0.000) 0.000 17.581 ( 0.000 0.000 0.000) 0.000 17.789 ( 0.000 0.000 0.000) 0.000 22.460 ( 0.000 0.000 0.000) 0.000 23.566 ( 0.000 0.000 0.000) 0.000 23.832 ( 0.000 0.000 0.000) 0.000 25.384 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 205 (58/171) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 0.000 0.000 28.358) 28.358 0.697 ( 0.000 0.000 37.041) 37.041 1.276 ( 0.000 0.000 65.190) 65.190 1.860 ( 0.000 0.000 -14.582) 14.582 2.708 ( 0.000 0.000 6.640) 6.640 2.843 ( 0.000 0.000 -32.842) 32.842 3.003 ( 0.000 0.000 -2.251) 2.251 3.487 ( 0.000 0.000 2.899) 2.899 3.704 ( 0.000 0.000 -2.351) 2.351 4.018 ( 0.000 0.000 27.178) 27.178 4.216 ( 0.000 0.000 -12.572) 12.572 4.875 ( 0.000 0.000 -18.113) 18.113 5.726 ( 0.000 0.000 -3.140) 3.140 5.847 ( 0.000 0.000 1.142) 1.142 5.944 ( 0.000 0.000 -1.218) 1.218 6.119 ( 0.000 0.000 -12.941) 12.941 6.396 ( 0.000 0.000 10.360) 10.360 6.716 ( 0.000 0.000 1.087) 1.087 7.754 ( 0.000 0.000 2.627) 2.627 7.861 ( 0.000 0.000 1.276) 1.276 7.892 ( 0.000 0.000 -3.735) 3.735 7.957 ( 0.000 0.000 -1.050) 1.050 8.553 ( 0.000 0.000 6.598) 6.598 8.810 ( 0.000 0.000 -1.869) 1.869 9.489 ( 0.000 0.000 0.998) 0.998 9.773 ( 0.000 0.000 -6.081) 6.081 10.044 ( 0.000 0.000 7.807) 7.807 10.586 ( 0.000 0.000 -7.558) 7.558 11.124 ( 0.000 0.000 6.779) 6.779 11.158 ( 0.000 0.000 13.490) 13.490 11.936 ( 0.000 0.000 -16.652) 16.652 11.983 ( 0.000 0.000 -9.226) 9.226 13.131 ( 0.000 0.000 8.244) 8.244 13.253 ( 0.000 0.000 17.744) 17.744 13.772 ( 0.000 0.000 -7.812) 7.812 14.179 ( 0.000 0.000 -8.482) 8.482 14.300 ( 0.000 0.000 2.873) 2.873 14.577 ( 0.000 0.000 -4.624) 4.624 15.625 ( 0.000 0.000 12.829) 12.829 16.592 ( 0.000 0.000 -11.663) 11.663 17.652 ( 0.000 0.000 2.082) 2.082 17.808 ( 0.000 0.000 -1.707) 1.707 18.069 ( 0.000 0.000 2.092) 2.092 18.169 ( 0.000 0.000 -0.043) 0.043 21.822 ( 0.000 0.000 -0.201) 0.201 21.919 ( 0.000 0.000 -3.715) 3.715 22.846 ( 0.000 0.000 9.087) 9.087 23.387 ( 0.000 0.000 -5.105) 5.105 ======================= Grid point 206 (59/171) ======================= q-point: ( 0.07 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 16.054 1.346 27.801) 32.131 0.919 ( 21.395 -7.064 21.011) 30.807 1.746 ( 32.386 -14.624 34.982) 49.865 1.941 ( 7.438 -1.667 -10.483) 12.962 2.801 ( 8.284 -2.815 3.597) 9.460 2.871 ( 5.733 3.240 -27.993) 28.757 3.153 ( 15.424 -3.228 -1.415) 15.822 3.569 ( 2.705 1.922 9.020) 9.611 3.786 ( 7.877 1.133 -4.915) 9.354 4.031 ( 4.148 5.224 24.665) 25.551 4.356 ( 6.787 -7.893 -2.329) 10.667 5.000 ( 13.689 1.130 -21.761) 25.733 5.701 ( -0.004 6.551 -4.129) 7.744 5.818 ( -2.107 12.450 4.578) 13.432 6.100 ( 14.208 -3.093 1.958) 14.672 6.315 ( 26.793 -3.609 -4.574) 27.419 6.645 ( 23.144 -5.795 6.516) 24.732 6.788 ( 7.860 -0.400 5.489) 9.595 7.211 ( -44.307 9.978 48.457) 66.414 7.435 ( -15.976 -3.427 3.936) 16.807 7.702 ( -28.314 -0.982 18.143) 33.642 8.286 ( 23.904 2.962 1.010) 24.108 8.424 ( -6.430 7.722 2.516) 10.359 8.589 ( 6.384 20.131 3.600) 21.424 9.030 ( -8.722 -27.928 9.317) 30.706 9.464 ( -7.346 -4.397 -0.223) 8.564 9.730 ( -17.022 -0.289 -0.553) 17.034 9.829 ( -10.463 -10.700 0.922) 14.993 10.896 ( -12.292 0.026 1.642) 12.401 11.366 ( -27.587 1.991 -11.105) 29.805 12.049 ( 10.276 2.290 -5.458) 11.859 12.417 ( 14.931 3.216 -12.948) 20.023 12.990 ( -1.582 0.896 15.075) 15.184 13.277 ( -2.815 -0.286 8.869) 9.310 13.503 ( -7.093 -2.989 5.706) 9.581 13.763 ( -3.521 1.129 -5.201) 6.382 14.278 ( -1.349 3.062 2.881) 4.415 14.554 ( -2.070 1.074 -4.860) 5.390 15.738 ( -25.672 2.866 15.843) 30.303 16.795 ( -23.725 16.697 -14.681) 32.514 17.372 ( 35.524 15.147 6.620) 39.182 17.821 ( 26.577 -7.400 -6.169) 28.269 18.937 ( 47.657 8.253 1.617) 48.393 20.060 ( 97.996 92.562 -57.577) 146.582 21.557 ( 11.000 31.238 16.545) 37.021 22.630 ( 5.735 -26.350 -26.172) 37.579 23.117 ( -1.341 -77.093 -20.739) 79.845 23.433 ( 2.209 -16.166 -8.708) 18.495 ======================= Grid point 207 (60/171) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 21.653 -1.604 14.751) 26.249 1.380 ( 19.921 -10.124 16.108) 27.547 2.072 ( 8.624 1.675 -4.058) 9.678 2.358 ( 16.454 -8.140 2.459) 18.521 2.988 ( 11.584 4.815 -16.343) 20.602 3.096 ( 14.679 -6.869 -4.434) 16.802 3.531 ( -1.045 4.121 17.596) 18.103 3.682 ( 28.599 -7.781 4.852) 30.033 3.916 ( 6.629 2.654 -2.476) 7.558 4.129 ( 10.934 3.097 16.877) 20.347 4.490 ( 2.483 -7.723 5.475) 9.787 5.265 ( 8.555 5.803 -13.604) 17.086 5.648 ( 1.606 5.059 -8.821) 10.295 5.901 ( 13.621 6.084 -6.538) 16.287 6.343 ( 4.367 -11.423 7.384) 14.286 6.655 ( -3.328 3.422 12.015) 12.928 6.725 ( -0.827 -8.857 18.335) 20.379 7.258 ( 14.035 8.282 3.419) 16.651 7.292 ( 24.177 3.802 0.096) 24.474 7.515 ( 43.060 -5.192 2.904) 43.469 7.626 ( 36.357 -12.247 3.835) 38.556 8.146 ( -11.126 12.442 1.170) 16.732 8.449 ( -9.046 2.172 -3.449) 9.922 8.699 ( 4.192 -2.635 -6.543) 8.205 9.325 ( 0.958 -4.616 -2.234) 5.217 9.383 ( 26.868 -2.225 0.450) 26.963 9.519 ( -2.284 -7.458 4.828) 9.173 9.775 ( -3.747 -4.001 -1.370) 5.650 10.594 ( -17.757 -0.382 1.498) 17.824 10.899 ( -20.900 -4.966 -7.499) 22.754 12.031 ( -5.904 3.033 3.515) 7.510 12.472 ( -2.981 1.610 -7.612) 8.331 13.153 ( -8.007 -1.147 5.953) 10.043 13.175 ( 15.489 4.362 8.293) 18.103 13.561 ( 1.939 -0.655 -3.974) 4.470 13.692 ( 2.390 4.282 -5.750) 7.558 14.204 ( -3.416 4.120 2.978) 6.124 14.479 ( -5.318 0.593 -5.730) 7.840 15.106 ( -30.738 6.808 16.219) 35.415 16.003 ( -34.956 13.337 -8.324) 38.329 17.940 ( 27.611 27.697 7.433) 39.809 18.705 ( 48.319 -8.775 -11.858) 50.520 19.685 ( 37.894 14.416 9.294) 41.595 20.766 ( 48.144 69.253 -22.882) 87.392 21.744 ( 14.347 -8.355 14.629) 22.128 22.761 ( 3.591 -2.861 -8.151) 9.356 23.308 ( -6.678 -22.929 -5.629) 24.536 23.697 ( -5.386 -43.031 -20.828) 48.109 ======================= Grid point 208 (61/171) ======================= q-point: ( 0.21 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 17.596 -2.845 6.644) 19.023 1.807 ( 16.143 -9.551 10.644) 21.566 2.234 ( 10.506 3.244 0.382) 11.002 2.621 ( 10.180 -0.435 -6.544) 12.110 3.195 ( 12.107 2.467 -11.335) 16.767 3.410 ( 9.651 1.901 9.811) 13.893 3.565 ( 9.809 -2.234 1.392) 10.156 3.882 ( 3.244 8.326 3.605) 9.635 4.085 ( 4.131 0.176 3.040) 5.132 4.380 ( 1.956 0.388 -0.407) 2.035 4.730 ( 17.575 -13.243 12.970) 25.544 5.139 ( -9.852 9.273 -2.881) 13.833 5.777 ( 11.674 -1.705 -6.084) 13.274 6.034 ( 2.519 -4.423 -14.078) 14.970 6.417 ( -3.613 -12.218 6.830) 14.456 6.639 ( -8.095 -12.819 -0.106) 15.161 6.924 ( 25.564 4.206 24.229) 35.472 7.420 ( 11.188 0.886 -1.673) 11.347 7.768 ( 24.623 -1.689 -7.212) 25.713 7.853 ( -1.898 11.425 -1.509) 11.679 8.151 ( -2.339 2.275 -0.484) 3.299 8.507 ( -3.772 -8.329 -7.245) 11.666 8.838 ( 57.439 -2.664 -2.035) 57.537 8.882 ( 60.348 -6.582 0.051) 60.706 9.327 ( -2.972 1.364 7.709) 8.374 9.716 ( -0.533 -0.180 -0.549) 0.787 9.950 ( 25.570 8.105 1.496) 26.866 10.017 ( 38.962 -4.391 0.775) 39.216 10.276 ( -11.334 -1.655 2.439) 11.711 10.688 ( -4.139 -16.776 -7.392) 18.794 11.837 ( -11.086 3.470 6.309) 13.219 12.369 ( -5.451 4.141 -6.453) 9.408 12.938 ( -13.785 -2.828 4.769) 14.858 13.399 ( -6.921 4.538 -6.212) 10.348 13.486 ( 12.012 5.933 2.820) 13.691 13.850 ( 11.069 7.799 -7.211) 15.341 14.108 ( -3.270 2.373 3.092) 5.088 14.289 ( -14.951 0.819 -0.615) 14.986 14.604 ( -12.745 5.516 12.168) 18.464 15.331 ( -25.264 11.364 -6.665) 28.493 18.161 ( 14.575 21.605 11.282) 28.399 19.412 ( 22.984 10.740 -26.385) 36.603 20.284 ( 34.840 11.791 19.039) 41.417 21.162 ( 32.999 39.821 -10.437) 52.760 22.129 ( 14.772 -14.727 10.486) 23.346 22.868 ( 4.806 -4.733 -6.232) 9.184 23.330 ( -5.038 -17.361 1.130) 18.112 23.789 ( -9.582 -27.926 -11.067) 31.530 ======================= Grid point 209 (62/171) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 11.373 -4.794 2.034) 12.508 2.113 ( 8.864 -9.241 6.816) 14.506 2.454 ( 14.542 4.836 2.160) 15.477 2.797 ( 8.955 2.514 -7.594) 12.007 3.399 ( 8.102 1.595 -2.063) 8.512 3.453 ( 1.929 4.329 9.373) 10.503 3.796 ( 7.477 9.478 -2.150) 12.263 3.932 ( 5.721 -9.130 2.485) 11.058 4.093 ( 0.250 6.292 2.309) 6.707 4.271 ( -6.427 3.193 -4.498) 8.469 4.839 ( -5.055 7.323 -1.694) 9.058 5.030 ( -3.238 -2.744 3.976) 5.816 6.088 ( 11.851 -3.595 -1.925) 12.533 6.212 ( 11.347 -10.834 -0.610) 15.701 6.506 ( 5.804 -20.958 3.999) 22.112 6.603 ( -2.423 -9.097 2.591) 9.764 7.244 ( 4.956 8.832 9.225) 13.699 7.680 ( 19.976 -0.389 -5.869) 20.824 7.862 ( -4.666 2.577 -9.832) 11.184 8.020 ( 21.566 -0.270 4.912) 22.120 8.375 ( -3.473 -10.325 -8.492) 13.813 8.517 ( 22.579 -7.781 -5.668) 24.546 9.222 ( -2.405 2.633 10.184) 10.790 9.640 ( 1.612 0.263 -1.311) 2.094 9.869 ( 2.865 4.106 4.876) 6.988 10.066 ( 30.016 -1.557 1.603) 30.099 10.133 ( 42.215 2.093 3.385) 42.402 10.265 ( 22.191 2.551 -2.544) 22.481 10.948 ( 43.753 -2.666 1.316) 43.853 11.189 ( 37.956 -13.505 -4.714) 40.562 11.605 ( -6.557 1.288 7.162) 9.795 12.194 ( -8.968 5.692 -6.533) 12.470 12.681 ( -12.921 -1.378 3.582) 13.478 13.126 ( -13.532 5.943 -8.970) 17.289 13.674 ( 4.802 9.168 -0.253) 10.353 13.799 ( -5.601 7.727 1.002) 9.596 13.991 ( -1.812 3.646 3.510) 5.375 14.239 ( 8.885 0.547 -0.150) 8.903 14.467 ( -1.974 1.526 4.004) 4.718 14.870 ( -15.065 7.812 -4.298) 17.506 18.234 ( 7.408 16.554 12.773) 22.182 19.570 ( 7.685 17.997 -24.597) 31.432 20.799 ( 22.773 5.492 14.407) 27.502 21.462 ( 19.665 21.561 -6.870) 29.980 22.472 ( 11.348 -9.876 7.354) 16.745 23.002 ( 4.240 -6.877 -6.352) 10.277 23.362 ( -3.399 -14.472 4.833) 15.632 23.752 ( -10.396 -18.188 -5.367) 21.626 ======================= Grid point 210 (63/171) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 9.730 -8.276 0.049) 12.773 2.308 ( 5.206 -8.492 3.705) 10.628 2.679 ( 11.383 5.025 0.014) 12.443 2.934 ( 6.951 2.563 -7.642) 10.643 3.358 ( -2.020 5.268 7.928) 9.731 3.568 ( 3.271 -5.503 3.189) 7.152 3.829 ( 4.269 5.391 1.792) 7.107 3.980 ( -1.501 9.909 -1.047) 10.077 4.120 ( 2.374 -0.997 1.706) 3.089 4.204 ( -0.400 -3.618 -11.136) 11.715 4.721 ( -0.416 8.209 1.824) 8.419 4.930 ( -5.266 0.568 1.527) 5.512 6.119 ( -2.066 4.276 3.313) 5.791 6.400 ( -4.760 -5.742 -3.460) 8.222 6.850 ( 18.678 -11.875 2.664) 22.293 6.915 ( 19.212 -9.127 4.605) 21.763 7.233 ( 3.358 -0.080 4.423) 5.554 7.763 ( -2.485 0.466 -2.700) 3.699 8.021 ( 9.637 -8.292 -6.537) 14.296 8.422 ( 1.960 -12.152 -2.129) 12.491 8.580 ( 30.528 -2.382 -5.061) 31.036 8.924 ( 10.349 -0.469 -6.522) 12.241 9.268 ( 10.919 -2.757 7.531) 13.547 9.642 ( 0.097 -1.569 0.738) 1.737 9.793 ( -1.234 0.922 5.436) 5.650 10.101 ( -5.061 -9.809 -0.447) 11.047 10.675 ( 5.618 19.314 8.937) 22.011 10.950 ( 28.693 11.475 1.230) 30.927 11.317 ( 3.584 3.633 3.326) 6.091 11.842 ( 3.065 1.189 -6.866) 7.612 11.991 ( 16.132 -8.749 -0.356) 18.355 12.118 ( 28.660 -11.440 1.025) 30.876 12.637 ( 16.280 1.795 -0.146) 16.379 12.864 ( -6.393 7.085 -9.274) 13.307 13.466 ( -8.210 5.741 6.965) 12.202 13.825 ( 3.514 4.923 -6.834) 9.126 14.038 ( 8.229 4.365 4.921) 10.535 14.303 ( -2.859 3.299 -1.992) 4.798 14.533 ( 10.646 4.263 1.521) 11.568 14.675 ( -1.436 -0.167 -1.484) 2.072 18.235 ( 3.257 11.503 13.177) 17.792 19.543 ( 2.540 14.590 -21.654) 26.233 21.082 ( 10.144 2.692 10.561) 14.889 21.616 ( 8.204 10.592 -5.623) 14.530 22.713 ( 8.397 -5.105 5.381) 11.204 23.108 ( 1.577 -6.153 -5.165) 8.187 23.389 ( -3.445 -11.332 4.817) 12.786 23.658 ( -9.532 -10.912 -2.705) 14.740 ======================= Grid point 211 (64/171) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 4.623 -3.687 0.998) 5.997 2.456 ( 5.361 -9.177 -0.406) 10.636 2.817 ( 5.882 2.773 -3.177) 7.237 3.027 ( 3.937 1.566 -6.667) 7.900 3.337 ( 1.651 0.330 7.393) 7.582 3.602 ( -2.238 -1.722 7.011) 7.558 3.881 ( 3.920 4.093 0.510) 5.690 3.918 ( 1.002 4.135 -8.115) 9.163 4.090 ( -3.246 0.956 -2.222) 4.048 4.241 ( 0.241 -3.727 -9.466) 10.176 4.709 ( 2.873 5.049 6.974) 9.077 4.854 ( -2.096 1.036 3.716) 4.390 6.017 ( -3.976 6.187 2.962) 7.928 6.311 ( -3.749 0.069 -6.479) 7.486 7.020 ( 0.552 -0.059 10.914) 10.929 7.330 ( 12.479 -2.498 -3.319) 13.152 7.496 ( 18.865 -0.278 4.653) 19.432 7.749 ( -1.354 -6.595 0.569) 6.756 8.240 ( 4.542 -13.052 0.322) 13.823 8.584 ( 5.267 -12.152 -7.880) 15.411 8.898 ( 4.009 1.627 -0.185) 4.330 9.239 ( 20.182 0.464 -12.360) 23.671 9.522 ( 8.869 -6.883 0.031) 11.226 9.663 ( -0.311 -4.452 -1.455) 4.694 9.860 ( 8.337 5.921 8.722) 13.440 10.120 ( 1.092 -4.061 -0.120) 4.207 10.425 ( -9.424 7.960 14.786) 19.256 11.104 ( -16.456 9.103 5.645) 19.635 11.150 ( 2.406 10.216 0.824) 10.528 11.565 ( -17.173 1.694 -4.242) 17.771 12.396 ( 15.587 -3.822 -3.702) 16.470 12.623 ( 6.569 -5.279 -8.937) 12.284 12.896 ( 14.409 0.426 2.605) 14.649 13.051 ( 13.099 3.096 2.423) 13.676 13.437 ( 9.494 -2.278 4.556) 10.774 13.845 ( 2.207 4.723 -9.641) 10.960 14.159 ( 4.307 3.347 3.232) 6.340 14.224 ( -0.244 2.304 0.225) 2.328 14.691 ( 7.228 -0.038 0.592) 7.252 14.764 ( 7.038 1.401 -1.107) 7.261 18.213 ( 1.138 5.994 13.248) 14.586 19.491 ( 0.632 7.866 -20.127) 21.619 21.187 ( 2.996 1.135 8.851) 9.412 21.655 ( 1.803 3.940 -4.948) 6.577 22.877 ( 6.175 -1.763 4.123) 7.631 23.139 ( -1.916 -3.588 -1.918) 4.497 23.400 ( -1.618 -7.496 2.027) 7.932 23.549 ( -6.908 -4.271 -1.651) 8.288 ======================= Grid point 212 (65/171) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 0.000 -0.000 1.052) 1.052 2.561 ( 0.000 -0.000 -0.894) 0.894 2.867 ( 0.000 0.000 -5.276) 5.276 3.058 ( 0.000 0.000 -5.227) 5.227 3.367 ( 0.000 -0.000 6.753) 6.753 3.569 ( 0.000 -0.000 6.101) 6.101 3.909 ( 0.000 0.000 -0.763) 0.763 3.921 ( -0.000 -0.000 -6.203) 6.203 4.046 ( -0.000 -0.000 -6.033) 6.033 4.258 ( 0.000 -0.000 -9.175) 9.175 4.723 ( 0.000 -0.000 8.221) 8.221 4.830 ( 0.000 -0.000 5.108) 5.108 5.941 ( 0.000 -0.000 4.021) 4.021 6.277 ( 0.000 -0.000 -7.850) 7.850 7.019 ( 0.000 -0.000 11.765) 11.765 7.440 ( 0.000 0.000 -3.981) 3.981 7.710 ( 0.000 0.000 5.254) 5.254 7.770 ( -0.000 -0.000 3.418) 3.418 8.344 ( 0.000 0.000 1.308) 1.308 8.669 ( 0.000 -0.000 -11.020) 11.020 8.986 ( -0.000 0.000 -1.718) 1.718 9.371 ( 0.000 -0.000 -14.170) 14.170 9.721 ( 0.000 0.000 0.961) 0.961 9.732 ( -0.000 -0.000 0.896) 0.896 9.798 ( 0.000 -0.000 9.197) 9.197 10.134 ( 0.000 -0.000 -3.249) 3.249 10.466 ( 0.000 -0.000 10.529) 10.529 10.753 ( -0.000 0.000 12.891) 12.891 11.142 ( 0.000 -0.000 2.675) 2.675 11.334 ( 0.000 -0.000 -5.872) 5.872 12.568 ( 0.000 -0.000 -5.791) 5.791 12.669 ( 0.000 -0.000 -11.167) 11.167 13.083 ( 0.000 -0.000 6.375) 6.375 13.109 ( 0.000 0.000 7.876) 7.876 13.619 ( 0.000 -0.000 -0.387) 0.387 13.844 ( 0.000 0.000 -9.907) 9.907 14.160 ( 0.000 -0.000 4.230) 4.230 14.244 ( 0.000 -0.000 -0.850) 0.850 14.784 ( 0.000 0.000 0.235) 0.235 14.827 ( 0.000 -0.000 -0.832) 0.832 18.202 ( 0.000 -0.000 13.256) 13.256 19.468 ( 0.000 0.000 -19.652) 19.652 21.209 ( 0.000 -0.000 8.352) 8.352 21.654 ( 0.000 -0.000 -4.708) 4.708 22.957 ( 0.000 -0.000 3.443) 3.443 23.116 ( 0.000 -0.000 0.232) 0.232 23.431 ( 0.000 -0.000 0.211) 0.211 23.475 ( -0.000 0.000 -1.333) 1.333 ======================= Grid point 221 (66/171) ======================= q-point: ( 0.07 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 22.789 0.000 17.806) 28.920 1.285 ( 20.037 0.000 18.767) 27.453 2.090 ( 8.682 0.000 -5.672) 10.371 2.289 ( 21.948 0.000 6.197) 22.806 3.028 ( 15.960 0.000 0.015) 15.960 3.045 ( 10.154 0.000 -22.118) 24.337 3.556 ( 2.113 0.000 19.309) 19.424 3.621 ( 27.964 0.000 1.227) 27.991 3.939 ( 5.482 0.000 -6.458) 8.471 4.175 ( 10.247 0.000 22.952) 25.136 4.411 ( 1.857 0.000 3.483) 3.947 5.295 ( 10.409 0.000 -19.663) 22.248 5.711 ( -1.653 -0.000 -4.830) 5.105 5.947 ( 8.442 0.000 -3.885) 9.293 6.232 ( 4.872 0.000 4.971) 6.960 6.625 ( 1.225 0.000 -4.073) 4.253 6.727 ( -5.261 -0.000 38.620) 38.977 7.321 ( 11.449 0.000 0.422) 11.457 7.350 ( -5.205 -0.000 4.739) 7.040 7.467 ( 57.596 0.000 3.190) 57.684 7.504 ( 56.863 0.000 2.296) 56.909 8.266 ( -10.307 -0.000 0.953) 10.351 8.454 ( -16.560 -0.000 -5.794) 17.545 8.680 ( -0.546 -0.000 -4.757) 4.789 9.272 ( 6.521 0.000 -1.542) 6.701 9.362 ( 33.551 0.000 0.167) 33.551 9.472 ( -1.761 -0.000 5.896) 6.154 9.754 ( -1.988 -0.000 -4.094) 4.551 10.591 ( -17.903 -0.000 2.015) 18.016 10.865 ( -23.660 -0.000 -6.691) 24.588 12.054 ( -6.260 -0.000 3.414) 7.130 12.482 ( -2.892 -0.000 -7.210) 7.769 13.140 ( -10.349 -0.000 6.386) 12.161 13.212 ( 17.791 0.000 8.051) 19.528 13.556 ( 3.123 0.000 -3.398) 4.615 13.716 ( 2.261 0.000 -5.797) 6.222 14.235 ( -3.994 -0.000 2.215) 4.567 14.486 ( -5.591 -0.000 -5.714) 7.994 15.154 ( -30.847 -0.000 17.207) 35.321 16.099 ( -37.944 -0.000 -8.355) 38.853 18.184 ( 16.687 0.000 3.719) 17.097 18.598 ( 59.787 0.000 -7.157) 60.214 19.792 ( 38.069 0.000 11.992) 39.913 21.265 ( 27.557 0.000 -18.532) 33.209 21.996 ( 6.335 0.000 -1.353) 6.478 22.645 ( 7.641 0.000 -35.682) 36.491 22.888 ( 2.632 0.000 8.396) 8.799 23.440 ( 3.230 0.000 -8.181) 8.795 ======================= Grid point 222 (67/171) ======================= q-point: ( 0.14 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 17.553 1.389 11.101) 20.815 1.700 ( 17.945 -5.389 11.268) 21.864 2.273 ( 11.389 1.724 -0.557) 11.532 2.609 ( 12.589 -0.771 -3.542) 13.100 3.225 ( 8.966 1.420 -12.821) 15.710 3.396 ( 19.394 -1.802 -0.994) 19.503 3.571 ( 3.106 1.371 12.666) 13.113 3.953 ( -2.913 1.397 -5.964) 6.783 4.110 ( 15.577 2.214 4.982) 16.504 4.397 ( 2.349 3.315 5.922) 7.182 4.571 ( 20.801 -8.762 13.727) 26.418 5.225 ( -14.105 2.759 -6.808) 15.903 5.751 ( 8.597 -0.803 -8.700) 12.258 5.971 ( -6.073 -3.753 -11.991) 13.956 6.329 ( 3.984 -1.748 3.992) 5.904 6.514 ( -9.502 -4.601 2.156) 10.775 6.962 ( 25.306 1.260 25.909) 36.239 7.421 ( 10.856 -0.158 0.291) 10.861 7.738 ( 25.586 -1.417 -6.158) 26.355 8.020 ( -7.534 10.041 -1.848) 12.689 8.140 ( -7.956 -3.878 -5.026) 10.179 8.428 ( -13.181 -2.692 -1.935) 13.592 8.805 ( 70.323 -1.052 -0.396) 70.332 8.820 ( 68.122 -2.707 -0.003) 68.175 9.345 ( -3.080 0.770 4.678) 5.654 9.710 ( -1.593 -0.263 -3.027) 3.431 9.981 ( 45.675 -1.025 1.736) 45.720 10.056 ( 29.262 5.456 -0.108) 29.766 10.268 ( -8.624 0.442 1.639) 8.790 10.495 ( -13.822 -9.263 -4.762) 17.307 11.872 ( -11.475 1.327 6.261) 13.139 12.407 ( -4.814 1.275 -6.738) 8.379 12.904 ( -13.843 -1.447 5.731) 15.052 13.440 ( -10.336 1.341 -8.282) 13.313 13.547 ( 16.397 2.500 4.756) 17.255 13.914 ( 13.118 1.663 -4.932) 14.113 14.135 ( -5.226 1.219 1.447) 5.558 14.297 ( -15.058 0.419 -3.346) 15.431 14.666 ( -15.683 2.535 14.897) 21.778 15.442 ( -28.018 4.072 -6.678) 29.089 18.385 ( 8.622 8.853 9.338) 15.489 19.485 ( 29.131 1.509 -24.515) 38.103 20.429 ( 30.896 6.531 23.307) 39.248 21.678 ( 21.702 18.582 -14.074) 31.848 22.075 ( 15.006 16.887 6.539) 23.518 22.751 ( -1.934 -17.745 -14.812) 23.196 23.018 ( 0.565 -17.826 5.818) 18.760 23.516 ( 0.239 -8.747 -7.583) 11.579 ======================= Grid point 223 (68/171) ======================= q-point: ( 0.21 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 10.267 -0.738 4.476) 11.224 1.998 ( 9.322 -6.810 7.308) 13.663 2.519 ( 15.185 3.834 1.663) 15.750 2.819 ( 9.197 0.764 -5.650) 10.821 3.374 ( 6.207 -2.026 -4.097) 7.708 3.562 ( 1.385 8.102 8.871) 12.094 3.809 ( 12.840 -6.768 1.306) 14.573 3.847 ( -4.121 -1.441 -9.002) 10.005 4.242 ( 0.762 10.087 8.176) 13.007 4.328 ( -1.087 5.763 -0.605) 5.896 4.896 ( 2.130 1.035 1.132) 2.625 4.997 ( -4.108 -1.681 -0.187) 4.443 5.975 ( 7.685 -10.152 -8.338) 15.220 6.054 ( 14.600 -10.573 -4.553) 18.592 6.343 ( -1.252 -2.940 10.160) 10.651 6.500 ( 4.790 -5.336 1.900) 7.417 7.355 ( 7.457 6.371 12.897) 16.202 7.671 ( 16.780 -0.730 -3.671) 17.193 7.843 ( -5.250 -4.171 -12.529) 14.211 8.061 ( 15.829 4.950 1.804) 16.683 8.258 ( -5.984 -6.192 0.757) 8.644 8.436 ( 27.133 -3.777 -5.518) 27.945 9.260 ( -2.653 2.250 6.775) 7.616 9.649 ( 0.127 0.507 -4.677) 4.706 9.919 ( -3.574 3.238 5.267) 7.141 10.016 ( 14.496 -3.030 1.383) 14.874 10.192 ( 64.297 3.521 1.252) 64.405 10.299 ( 31.140 1.972 -2.321) 31.288 10.930 ( 45.598 -0.026 -0.006) 45.598 11.026 ( 41.280 -9.055 -2.264) 42.322 11.616 ( -12.068 0.361 8.467) 14.747 12.248 ( -10.821 2.162 -6.489) 12.801 12.657 ( -11.311 -1.552 4.149) 12.147 13.184 ( -13.661 2.448 -10.112) 17.172 13.790 ( 7.477 6.889 1.165) 10.234 13.884 ( -12.260 3.888 2.594) 13.121 14.034 ( -1.515 2.343 1.530) 3.183 14.218 ( 8.762 -2.606 -2.101) 9.379 14.503 ( -0.834 2.808 6.005) 6.681 14.959 ( -18.610 4.603 -4.456) 19.682 18.424 ( 2.817 9.799 12.042) 15.779 19.758 ( 6.280 8.566 -27.130) 29.135 20.890 ( 20.580 6.362 19.767) 29.236 21.828 ( 12.415 28.054 -11.365) 32.716 22.351 ( 14.608 -4.705 7.777) 17.205 22.860 ( 0.541 -17.254 -8.494) 19.239 23.136 ( 0.226 -13.752 7.055) 15.457 23.550 ( -3.314 -9.408 -4.867) 11.099 ======================= Grid point 224 (69/171) ======================= q-point: ( 0.29 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 7.142 -6.564 0.958) 9.747 2.201 ( 7.025 -6.275 3.589) 10.080 2.748 ( 10.443 4.307 -0.622) 11.313 2.957 ( 5.843 0.995 -7.533) 9.585 3.439 ( -5.769 6.073 6.148) 10.391 3.491 ( 3.155 -4.982 1.845) 6.179 3.784 ( -3.475 -6.112 -1.376) 7.164 4.078 ( 7.175 -4.028 -3.338) 8.879 4.122 ( -2.984 3.324 2.465) 5.102 4.290 ( 1.924 15.242 -0.977) 15.394 4.835 ( -0.578 7.580 -1.157) 7.690 4.939 ( -3.633 0.623 0.274) 3.697 6.151 ( 0.372 0.729 1.095) 1.367 6.301 ( 4.340 -7.712 -2.910) 9.316 6.606 ( 16.539 -18.594 8.234) 26.212 6.814 ( 26.649 -4.846 -0.434) 27.090 7.304 ( -1.083 7.659 5.123) 9.278 7.766 ( -4.183 -1.442 -8.311) 9.416 7.919 ( 4.995 -5.950 -0.467) 7.782 8.253 ( 1.192 -9.593 3.603) 10.316 8.585 ( 32.292 1.531 -4.024) 32.578 8.899 ( 14.738 -2.522 -11.535) 18.884 9.257 ( 6.355 0.591 8.277) 10.452 9.631 ( -1.120 -0.551 -3.535) 3.749 9.811 ( -0.652 2.062 7.619) 7.920 9.988 ( -3.152 -6.399 1.787) 7.354 10.946 ( 2.759 18.312 7.096) 19.832 11.128 ( 34.382 13.551 1.022) 36.970 11.360 ( 13.507 2.585 1.615) 13.847 11.792 ( 22.738 -8.301 -2.014) 24.289 11.866 ( 23.117 -10.289 -0.892) 25.319 11.988 ( -4.786 -5.277 -0.206) 7.127 12.639 ( 14.292 -0.864 -0.240) 14.320 12.935 ( -7.549 3.349 -10.402) 13.282 13.539 ( -11.608 4.278 7.334) 14.382 13.893 ( 2.774 4.412 -6.790) 8.559 14.103 ( 8.572 4.690 4.829) 10.900 14.318 ( -0.393 -0.970 -0.645) 1.229 14.599 ( 10.805 4.552 -0.206) 11.726 14.679 ( -6.172 0.658 -1.141) 6.311 18.376 ( -0.799 8.240 13.026) 15.434 19.718 ( -1.848 9.830 -23.677) 25.703 21.135 ( 9.250 4.391 13.506) 16.949 21.813 ( 3.160 16.915 -7.769) 18.881 22.637 ( 10.965 -5.128 5.566) 13.324 22.997 ( 2.634 -11.049 -5.325) 12.545 23.212 ( -1.606 -11.701 6.252) 13.363 23.531 ( -4.177 -6.750 -3.238) 8.572 ======================= Grid point 225 (70/171) ======================= q-point: ( 0.36 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 8.827 -10.328 -1.269) 13.645 2.354 ( 4.915 -3.951 0.909) 6.372 2.857 ( 3.710 2.550 -3.496) 5.700 3.036 ( 2.602 -0.345 -8.431) 8.830 3.350 ( -0.572 1.604 6.561) 6.779 3.563 ( 0.664 -3.809 6.528) 7.587 3.735 ( -7.227 -10.291 -5.455) 13.708 4.080 ( 1.193 3.834 2.301) 4.628 4.187 ( 2.511 0.664 -5.899) 6.446 4.201 ( 0.270 10.667 -2.868) 11.049 4.785 ( -0.583 5.693 3.345) 6.628 4.873 ( -2.204 1.649 3.010) 4.079 6.097 ( -3.474 5.155 0.522) 6.238 6.319 ( -1.829 0.679 -4.335) 4.754 6.976 ( 6.220 -6.126 10.853) 13.928 7.324 ( 10.865 3.383 0.353) 11.385 7.431 ( 24.775 -8.045 0.985) 26.066 7.705 ( -2.719 -1.915 -0.662) 3.391 8.045 ( 2.432 -13.860 -0.893) 14.100 8.398 ( 6.722 -12.308 0.008) 14.024 8.937 ( 3.508 3.165 -3.242) 5.730 9.242 ( 20.634 -0.299 -14.844) 25.421 9.450 ( 9.919 -3.584 -0.596) 10.564 9.623 ( 0.290 -1.129 -2.735) 2.973 9.912 ( 12.785 2.154 11.813) 17.540 10.070 ( 6.560 -2.920 3.019) 7.790 10.574 ( -19.329 11.315 13.537) 26.170 11.250 ( -15.586 11.308 3.953) 19.658 11.331 ( 0.287 14.975 -0.593) 14.990 11.581 ( -17.431 0.778 -3.127) 17.726 12.327 ( 18.561 -6.095 -3.712) 19.886 12.494 ( 14.519 -12.053 -3.161) 19.133 12.900 ( 5.222 0.338 -3.418) 6.250 13.055 ( 15.733 -2.716 -1.330) 16.021 13.405 ( 0.997 -1.296 8.216) 8.377 13.920 ( 2.703 5.168 -10.271) 11.811 14.210 ( 4.581 3.869 2.894) 6.658 14.267 ( -1.675 3.316 1.474) 3.997 14.670 ( 4.662 -2.450 1.215) 5.405 14.805 ( 8.920 3.731 -2.047) 9.883 18.291 ( -2.944 4.907 13.259) 14.441 19.592 ( -4.710 6.197 -21.072) 22.464 21.217 ( 2.670 2.881 10.031) 10.772 21.741 ( -0.887 8.096 -5.726) 9.956 22.850 ( 8.385 -2.141 4.091) 9.572 23.083 ( -0.070 -4.284 -1.704) 4.611 23.271 ( 1.168 -10.212 3.174) 10.758 23.495 ( -2.908 -3.281 -2.556) 5.075 ======================= Grid point 226 (71/171) ======================= q-point: ( 0.43 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 1.734 -1.717 0.216) 2.450 2.517 ( 5.507 -5.267 -0.673) 7.650 2.869 ( -1.393 0.295 -4.964) 5.165 3.056 ( -1.392 -1.130 -7.165) 7.386 3.355 ( 0.010 -1.215 5.593) 5.723 3.555 ( -2.645 -2.361 4.838) 5.998 3.693 ( -5.815 -13.616 -0.368) 14.811 4.072 ( 0.415 4.141 -4.370) 6.035 4.131 ( 2.521 12.612 -1.999) 13.016 4.254 ( 3.113 -0.425 -8.853) 9.394 4.716 ( -4.527 -0.730 6.880) 8.268 4.832 ( -1.039 0.228 4.433) 4.559 5.969 ( -4.501 3.907 3.513) 6.918 6.292 ( 0.464 1.978 -7.896) 8.153 7.015 ( -0.735 -0.556 12.353) 12.387 7.453 ( 0.407 0.814 -5.380) 5.456 7.580 ( -7.313 -9.288 6.477) 13.479 7.879 ( 11.548 7.226 2.228) 13.803 8.235 ( 7.018 -12.691 2.270) 14.679 8.635 ( 6.599 -6.635 -12.972) 15.995 8.973 ( 2.079 -0.747 1.743) 2.814 9.410 ( 4.913 5.050 -13.522) 15.248 9.592 ( -1.384 -8.709 -0.348) 8.825 9.760 ( 6.010 2.548 -3.107) 7.229 9.941 ( -9.717 11.054 10.958) 18.349 10.168 ( 0.985 4.866 -0.543) 4.994 10.432 ( 13.048 -4.172 13.064) 18.929 10.818 ( -15.348 8.230 10.097) 20.131 11.201 ( -4.182 8.192 1.391) 9.303 11.332 ( -1.880 -0.260 -5.789) 6.092 12.546 ( 1.361 -3.308 -5.884) 6.886 12.648 ( -0.822 -3.142 -9.223) 9.778 12.991 ( -1.366 -7.382 5.095) 9.073 13.161 ( -1.540 2.412 5.822) 6.488 13.528 ( 0.311 -9.803 1.035) 9.863 13.894 ( -2.051 4.384 -9.810) 10.939 14.186 ( -2.410 3.523 4.278) 6.043 14.263 ( 0.551 2.485 -0.591) 2.613 14.758 ( 0.299 -2.682 0.855) 2.831 14.856 ( -1.329 3.095 -1.535) 3.701 18.202 ( -4.250 0.047 13.236) 13.902 19.467 ( -5.683 -0.158 -19.621) 20.428 21.222 ( -0.080 1.823 8.459) 8.654 21.680 ( -1.233 3.423 -4.897) 6.101 22.960 ( 0.612 0.464 3.359) 3.446 23.104 ( 2.669 -1.653 0.458) 3.173 23.408 ( 7.194 -3.057 0.394) 7.826 23.475 ( 0.142 -0.098 -1.592) 1.601 ======================= Grid point 227 (72/171) ======================= q-point: (-0.50 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -2.166 1.346 0.686) 2.641 2.552 ( -2.391 3.961 0.494) 4.653 2.792 ( -6.751 -0.566 -2.974) 7.398 2.996 ( -5.998 -2.911 -7.243) 9.844 3.332 ( -3.206 -1.193 6.728) 7.548 3.557 ( -2.318 -12.770 3.827) 13.531 3.670 ( -3.719 -5.495 6.265) 9.126 4.044 ( 0.063 7.125 -8.449) 11.053 4.112 ( 2.317 4.557 -4.321) 6.694 4.294 ( 1.726 3.786 -9.347) 10.232 4.642 ( -4.445 -4.535 8.241) 10.403 4.840 ( 1.738 -1.090 3.136) 3.748 5.934 ( 0.859 -4.955 5.560) 7.497 6.322 ( 4.509 1.610 -9.430) 10.576 7.001 ( -1.681 -2.155 11.772) 12.085 7.283 ( -18.391 -9.587 2.385) 20.876 7.529 ( -2.434 5.349 -3.486) 6.832 7.883 ( -0.919 11.356 0.566) 11.407 8.368 ( -0.115 3.373 3.041) 4.543 8.698 ( -0.150 4.538 -7.886) 9.100 8.913 ( -6.625 3.334 -5.640) 9.317 9.237 ( -21.501 0.331 -8.134) 22.991 9.629 ( -9.679 6.410 0.701) 11.630 9.709 ( 4.550 -4.480 -0.298) 6.392 9.785 ( -1.922 3.951 9.978) 10.902 10.185 ( 4.997 5.304 -2.468) 7.694 10.390 ( -4.526 3.010 12.987) 14.079 10.987 ( 18.528 -7.972 8.559) 21.911 11.067 ( -6.353 -0.884 -0.432) 6.428 11.535 ( 15.652 -2.407 -5.011) 16.609 12.430 ( -13.266 0.593 -3.829) 13.820 12.630 ( -2.037 -4.275 -10.986) 11.963 12.866 ( -19.247 -4.588 4.874) 20.378 13.008 ( -14.672 -1.399 3.626) 15.178 13.432 ( -12.029 -3.588 4.034) 13.185 13.811 ( -3.138 0.071 -9.525) 10.029 14.118 ( -4.369 -2.139 3.928) 6.253 14.213 ( -3.223 0.859 -0.906) 3.456 14.675 ( -9.546 -1.661 0.959) 9.737 14.763 ( -5.415 0.492 -1.122) 5.552 18.129 ( -5.476 -5.791 13.185) 15.407 19.379 ( -6.336 -7.800 -19.114) 21.594 21.187 ( -2.956 1.015 7.985) 8.575 21.631 ( -3.207 0.341 -4.775) 5.762 22.899 ( -4.747 1.286 4.112) 6.410 23.181 ( 3.649 2.364 -2.445) 4.988 23.479 ( 3.294 4.067 1.893) 5.565 23.606 ( 11.721 3.550 -1.127) 12.299 ======================= Grid point 228 (73/171) ======================= q-point: (-0.43 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -9.363 6.520 -0.126) 11.410 2.425 ( -4.913 7.642 2.948) 9.551 2.627 ( -10.922 -1.657 0.487) 11.058 2.876 ( -9.245 -5.974 -9.276) 14.395 3.290 ( -2.411 -4.844 10.162) 11.513 3.585 ( -7.423 -16.397 8.166) 19.764 3.644 ( -0.360 1.593 6.183) 6.395 4.001 ( 2.009 5.842 -6.557) 9.009 4.124 ( -0.523 -0.063 -3.451) 3.491 4.278 ( 0.107 5.079 -11.353) 12.437 4.621 ( -0.819 -5.249 4.212) 6.780 4.921 ( 5.853 -0.908 1.948) 6.235 6.027 ( 2.089 -8.531 5.576) 10.404 6.458 ( 10.090 2.260 -7.203) 12.601 6.885 ( -20.710 -5.312 2.585) 21.537 7.007 ( -4.396 4.205 11.273) 12.810 7.350 ( -8.676 12.429 -3.911) 15.654 7.794 ( -0.687 5.968 0.244) 6.013 8.157 ( -13.963 11.317 -7.116) 19.331 8.509 ( -19.404 1.960 2.581) 19.673 8.708 ( -11.235 13.161 -16.054) 23.605 8.906 ( -5.325 -2.804 -0.369) 6.029 9.339 ( -14.462 6.851 4.155) 16.533 9.691 ( -0.560 5.749 6.240) 8.503 9.777 ( 1.112 -1.379 3.569) 3.985 10.255 ( 6.905 11.218 -2.928) 13.495 10.428 ( -6.217 -14.769 11.806) 19.904 10.819 ( -25.137 -6.284 1.272) 25.942 11.259 ( 1.214 -4.566 3.847) 6.092 11.791 ( 4.036 -5.148 -7.567) 10.003 12.113 ( -19.202 8.404 0.023) 20.960 12.268 ( -35.247 9.070 0.004) 36.396 12.572 ( -18.177 -7.752 -0.468) 19.767 12.734 ( 5.712 -10.996 -8.537) 15.047 13.385 ( 4.053 -5.641 7.465) 10.197 13.767 ( -4.079 -3.002 -7.152) 8.764 13.985 ( -8.566 -3.062 4.317) 10.069 14.231 ( 1.523 -6.471 -2.547) 7.120 14.488 ( -9.439 -2.195 2.938) 10.126 14.680 ( -1.575 0.334 -1.846) 2.449 18.065 ( -7.857 -12.149 13.218) 19.597 19.325 ( -8.178 -15.931 -19.412) 26.410 21.065 ( -10.159 0.218 8.156) 13.029 21.517 ( -10.737 -3.814 -4.883) 12.396 22.773 ( -6.511 3.477 5.179) 9.017 23.186 ( -0.457 5.029 -5.917) 7.779 23.518 ( 4.347 7.455 5.585) 10.280 23.812 ( 14.217 10.191 -2.666) 17.695 ======================= Grid point 229 (74/171) ======================= q-point: (-0.36 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -12.048 7.443 -0.125) 14.162 2.249 ( -7.732 9.538 5.575) 13.485 2.399 ( -13.317 -2.379 1.803) 13.648 2.736 ( -9.607 -6.742 -10.660) 15.856 3.288 ( -4.517 -9.716 13.572) 17.292 3.477 ( -8.383 2.521 2.357) 9.065 3.619 ( -5.069 -11.032 8.061) 14.573 4.045 ( 2.315 4.041 2.052) 5.089 4.082 ( -2.963 3.727 -3.492) 5.905 4.244 ( 1.820 0.553 -13.913) 14.043 4.711 ( 4.597 -9.848 0.527) 10.881 5.053 ( 5.855 0.244 3.621) 6.889 6.066 ( -6.380 -5.315 5.564) 9.995 6.376 ( -17.252 10.244 0.805) 20.080 6.720 ( 10.441 6.908 0.180) 12.521 6.833 ( -5.540 19.839 1.904) 20.686 7.145 ( -8.009 -2.110 4.908) 9.627 7.688 ( -25.801 1.763 -7.081) 26.813 7.806 ( 1.634 -3.628 -3.335) 5.192 8.059 ( -19.629 4.757 6.122) 21.104 8.529 ( -9.666 10.728 -17.865) 22.972 8.652 ( -9.628 10.985 -9.419) 17.381 9.199 ( 2.145 -0.362 12.629) 12.815 9.659 ( -3.429 3.065 2.890) 5.432 9.797 ( -9.914 -5.678 5.727) 12.780 9.989 ( -42.552 -8.122 6.335) 43.781 10.193 ( -32.601 1.970 0.627) 32.666 10.253 ( -2.776 5.603 -2.178) 6.621 11.002 ( -38.906 4.822 2.700) 39.297 11.392 ( -31.450 14.661 -6.702) 35.340 11.581 ( -2.245 -1.823 5.651) 6.347 12.088 ( 7.346 -9.230 -5.763) 13.128 12.681 ( 14.389 -1.801 1.784) 14.611 13.011 ( 12.933 -10.547 -7.103) 18.137 13.543 ( -2.083 -9.159 -1.014) 9.448 13.685 ( -1.434 -7.857 0.100) 7.987 13.936 ( 1.553 -3.934 3.869) 5.732 14.197 ( -8.411 -4.929 2.873) 10.164 14.462 ( 4.166 0.072 0.709) 4.227 14.755 ( 8.705 -7.731 -3.753) 12.232 17.980 ( -12.733 -18.926 13.318) 26.414 19.270 ( -12.405 -23.668 -20.747) 33.830 20.752 ( -23.286 -1.004 9.314) 25.100 21.239 ( -23.719 -10.550 -5.143) 26.464 22.595 ( -8.159 7.207 6.617) 12.740 23.098 ( -4.103 6.974 -6.753) 10.540 23.532 ( 3.559 10.261 6.878) 12.855 24.006 ( 15.318 16.484 -5.711) 23.216 ======================= Grid point 230 (75/171) ======================= q-point: (-0.29 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -15.544 7.765 1.707) 17.459 1.961 ( -14.164 12.022 7.612) 20.077 2.193 ( -9.289 -2.370 1.242) 9.667 2.604 ( -7.621 -3.419 -11.667) 14.349 3.167 ( -12.222 -1.196 -1.256) 12.344 3.349 ( -3.928 -4.777 14.529) 15.790 3.569 ( -7.749 -5.668 3.406) 10.187 3.837 ( -10.078 6.405 0.974) 11.981 4.091 ( -1.689 0.401 0.056) 1.737 4.347 ( 3.293 -4.766 -6.066) 8.388 4.870 ( -1.844 -1.872 5.523) 6.116 5.030 ( -5.396 0.991 5.886) 8.046 5.772 ( -16.324 -1.290 -2.653) 16.588 6.107 ( -8.240 5.672 -4.784) 11.088 6.646 ( 1.103 17.453 0.104) 17.488 6.828 ( -24.376 -2.742 16.444) 29.532 6.876 ( 9.937 13.812 2.930) 17.265 7.365 ( -11.052 -7.757 -6.684) 15.066 7.700 ( -11.187 -4.286 4.898) 12.943 7.831 ( -18.593 3.061 -10.170) 21.412 8.102 ( -6.223 -3.193 2.411) 7.398 8.648 ( -5.389 11.184 -11.271) 16.768 8.866 ( -44.611 1.603 -3.150) 44.751 9.000 ( -47.192 9.297 -0.787) 48.105 9.317 ( 1.770 0.180 11.224) 11.364 9.704 ( -4.048 -1.967 1.820) 4.855 9.847 ( -25.791 -6.192 1.576) 26.570 10.108 ( -20.626 7.547 -2.648) 22.122 10.321 ( 4.709 5.719 6.278) 9.710 10.952 ( 1.180 20.714 -8.939) 22.591 11.776 ( 10.877 -5.314 6.388) 13.688 12.288 ( 6.435 -7.460 -5.612) 11.338 12.968 ( 13.767 0.954 3.195) 14.165 13.311 ( 4.504 -8.143 -4.609) 10.385 13.378 ( -9.395 -9.434 1.322) 13.379 13.714 ( -9.157 -10.132 -9.960) 16.903 14.076 ( 2.253 -1.827 5.179) 5.936 14.245 ( 16.706 -6.814 6.778) 19.274 14.547 ( 6.424 -1.372 4.223) 7.809 15.134 ( 20.573 -16.082 -6.458) 26.900 17.818 ( -20.895 -26.022 13.177) 35.880 19.142 ( -20.730 -27.131 -23.816) 41.630 20.161 ( -39.158 -4.457 12.522) 41.352 20.730 ( -40.698 -21.119 -5.978) 46.239 22.346 ( -10.055 14.260 8.948) 19.609 22.946 ( -5.761 6.893 -5.570) 10.570 23.523 ( 3.823 11.808 5.109) 13.422 24.171 ( 16.342 23.898 -11.536) 31.165 ======================= Grid point 231 (76/171) ======================= q-point: (-0.21 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -18.363 10.386 6.898) 22.196 1.553 ( -18.053 14.084 11.152) 25.468 2.053 ( -7.000 -1.123 -2.339) 7.466 2.470 ( -6.899 6.212 -7.128) 11.705 2.928 ( -12.177 -1.792 -10.247) 16.015 3.225 ( -11.750 10.151 -0.143) 15.528 3.457 ( -0.781 -5.407 14.768) 15.746 3.702 ( -9.042 -6.414 10.888) 15.538 3.948 ( -14.286 5.123 -0.327) 15.180 4.159 ( -20.781 9.925 10.204) 25.189 4.572 ( -4.067 3.800 5.504) 7.827 5.102 ( -5.205 -16.510 -3.586) 17.679 5.604 ( -6.344 -4.805 -8.631) 11.740 5.832 ( -19.445 -0.049 -12.391) 23.058 6.376 ( -15.027 -8.359 20.758) 26.955 6.670 ( 1.351 6.670 11.909) 13.717 6.912 ( -4.247 13.215 -6.456) 15.309 7.151 ( -18.417 -7.402 2.458) 20.001 7.253 ( -26.167 1.174 1.726) 26.250 7.540 ( -20.927 -3.033 2.922) 21.347 7.799 ( -24.752 11.810 5.374) 27.947 8.035 ( -1.926 -0.249 4.178) 4.608 8.414 ( -1.487 -1.537 -2.521) 3.306 8.747 ( -9.460 4.030 -7.922) 12.980 9.338 ( -4.642 -1.699 1.296) 5.110 9.422 ( -7.231 2.235 1.203) 7.663 9.621 ( 3.850 4.020 -4.312) 7.041 9.928 ( 10.334 18.830 4.472) 21.939 10.599 ( 17.343 0.213 0.892) 17.367 11.014 ( 14.633 11.782 -8.527) 20.631 11.978 ( 5.477 -4.285 3.759) 7.905 12.432 ( 3.416 -4.093 -7.857) 9.495 13.079 ( -16.698 -7.863 7.864) 20.062 13.183 ( 8.989 1.480 4.515) 10.167 13.564 ( -9.813 -9.578 -6.290) 15.086 13.575 ( 7.857 -3.494 -4.301) 9.615 14.134 ( 1.656 -5.185 5.253) 7.565 14.484 ( 4.702 1.540 -5.890) 7.693 14.970 ( 30.258 -12.167 13.574) 35.325 15.745 ( 27.591 -22.332 -7.960) 36.377 17.509 ( -32.668 -31.868 11.999) 47.189 18.731 ( -38.845 -9.638 -22.173) 45.754 19.410 ( -43.081 -21.849 10.228) 49.376 19.936 ( -64.131 -38.588 -7.727) 75.243 22.006 ( -10.998 22.556 12.503) 28.037 22.808 ( -4.038 4.463 -5.337) 8.044 23.514 ( 3.810 12.255 1.889) 12.971 24.297 ( 17.717 35.133 -23.059) 45.606 ======================= Grid point 232 (77/171) ======================= q-point: (-0.14 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -14.297 11.351 16.873) 24.859 1.080 ( -19.916 15.128 14.949) 29.137 1.925 ( -5.828 3.233 -3.929) 7.736 2.120 ( -18.134 27.150 18.637) 37.594 2.775 ( -5.648 -6.335 -21.992) 23.573 2.908 ( -10.734 9.657 0.372) 14.443 3.249 ( -19.261 10.671 1.099) 22.046 3.523 ( 0.112 -4.259 10.726) 11.541 3.749 ( -7.128 -4.174 -1.618) 8.417 3.939 ( -6.432 -6.615 21.145) 23.071 4.500 ( -2.617 9.616 0.259) 9.969 4.948 ( -13.899 -7.126 -16.429) 22.669 5.553 ( -5.878 -15.305 3.769) 16.823 5.627 ( 1.534 -8.720 -6.045) 10.721 6.101 ( -22.953 -4.186 2.368) 23.451 6.297 ( -34.859 -8.227 2.322) 35.892 6.672 ( -4.602 -17.090 21.262) 27.665 6.834 ( -3.502 19.066 6.501) 20.446 7.157 ( 18.000 6.878 15.914) 24.991 7.474 ( 12.198 1.115 3.141) 12.645 7.743 ( 17.804 4.916 10.213) 21.106 8.179 ( -2.450 -12.998 7.200) 15.059 8.266 ( -18.166 -7.431 -3.675) 19.968 8.476 ( -7.901 -0.304 5.064) 9.389 9.241 ( 4.791 2.286 3.053) 6.124 9.658 ( 30.287 20.134 2.696) 36.469 9.747 ( 7.754 1.743 -6.135) 10.040 10.078 ( 19.024 22.960 4.649) 30.178 10.898 ( 12.209 0.356 0.255) 12.216 11.324 ( 19.402 -3.066 -8.792) 21.521 11.998 ( -9.587 -4.299 -6.193) 12.195 12.345 ( -18.866 -6.057 -12.501) 23.428 12.970 ( 5.126 -2.392 14.565) 15.625 13.285 ( 2.154 0.639 7.545) 7.872 13.538 ( 7.905 -0.874 0.367) 7.961 13.730 ( 5.763 -2.705 -2.747) 6.934 14.198 ( 0.037 -7.748 4.111) 8.771 14.529 ( 0.351 -2.014 -5.514) 5.881 15.660 ( 27.895 -7.923 13.222) 31.870 16.376 ( 2.665 -38.423 -11.033) 40.064 17.044 ( -28.689 -29.014 11.837) 42.485 17.913 ( -37.953 2.793 -12.213) 39.967 18.705 ( -91.772 -43.206 -2.636) 101.469 18.797 ( -46.925 -37.612 -5.669) 60.405 21.649 ( -7.467 24.248 16.496) 30.263 22.726 ( -1.887 3.029 -7.064) 7.915 23.491 ( 2.320 11.672 -1.354) 11.977 24.322 ( 15.760 56.721 -46.918) 75.279 ======================= Grid point 233 (78/171) ======================= q-point: (-0.07 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.000 15.261 22.870) 27.494 0.702 ( 0.000 7.684 29.346) 30.335 1.597 ( 0.000 37.497 51.593) 63.780 1.870 ( 0.000 1.414 -13.611) 13.685 2.744 ( 0.000 5.007 6.339) 8.078 2.781 ( -0.000 -7.266 -31.778) 32.598 3.033 ( 0.000 4.336 -2.200) 4.862 3.491 ( 0.000 0.627 2.482) 2.560 3.686 ( -0.000 -2.500 -2.204) 3.333 3.936 ( -0.000 -8.952 25.205) 26.747 4.343 ( 0.000 14.612 -9.480) 17.418 4.861 ( -0.000 -3.268 -17.146) 17.455 5.631 ( -0.000 -13.001 0.368) 13.007 5.815 ( -0.000 -4.552 1.101) 4.684 5.908 ( -0.000 -5.179 -1.151) 5.305 5.910 ( -0.000 -18.760 -3.515) 19.086 6.609 ( 0.000 17.896 8.272) 19.715 6.750 ( 0.000 2.479 4.527) 5.162 7.634 ( -0.000 -20.611 7.169) 21.822 7.838 ( -0.000 -9.833 -1.617) 9.965 7.864 ( 0.000 0.402 1.221) 1.286 7.957 ( -0.000 -0.027 -1.028) 1.028 8.286 ( -0.000 -35.964 37.310) 51.821 8.511 ( -0.000 -7.460 8.339) 11.189 9.368 ( -0.000 -7.852 4.617) 9.108 9.804 ( 0.000 2.147 -6.406) 6.756 10.178 ( 0.000 17.121 7.608) 18.735 10.685 ( 0.000 5.292 -6.774) 8.596 11.059 ( -0.000 -7.519 9.595) 12.190 11.136 ( 0.000 1.623 6.680) 6.874 11.938 ( 0.000 0.233 -16.457) 16.459 11.952 ( -0.000 -4.185 -13.933) 14.548 13.135 ( 0.000 0.770 7.582) 7.621 13.256 ( 0.000 0.404 17.641) 17.646 13.748 ( -0.000 -4.363 -7.399) 8.589 14.180 ( 0.000 0.112 -8.479) 8.480 14.234 ( -0.000 -8.543 3.219) 9.129 14.509 ( -0.000 -12.897 -1.522) 12.987 15.498 ( -0.000 -12.177 19.952) 23.374 16.383 ( -0.000 -28.052 1.143) 28.075 16.851 ( -0.000 -56.543 50.496) 75.809 17.650 ( -0.000 -0.332 2.090) 2.116 17.806 ( -0.000 -0.249 -1.714) 1.732 18.286 ( -0.000 -15.003 -12.299) 19.400 21.430 ( 0.000 13.408 19.911) 24.005 22.681 ( 0.000 5.481 -11.265) 12.528 23.437 ( 0.000 10.492 -4.796) 11.536 23.952 ( 0.000 99.565 -68.383) 120.787 ======================= Grid point 236 (79/171) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 6.881 0.000 5.343) 8.712 1.926 ( 12.284 0.000 7.595) 14.443 2.548 ( 15.221 0.000 1.209) 15.268 2.823 ( 9.453 0.000 -5.017) 10.702 3.359 ( 4.919 0.000 -3.985) 6.331 3.642 ( 3.477 0.000 8.148) 8.859 3.738 ( 6.538 0.000 5.904) 8.809 3.833 ( -0.860 -0.000 -14.042) 14.068 4.301 ( -9.318 -0.000 9.083) 13.013 4.399 ( 10.898 0.000 -0.258) 10.901 4.902 ( 9.318 0.000 5.418) 10.778 4.978 ( -7.557 -0.000 -4.955) 9.037 5.883 ( 4.816 0.000 -8.384) 9.669 5.980 ( 14.829 0.000 -5.808) 15.926 6.333 ( -5.517 -0.000 9.641) 11.107 6.461 ( 9.557 0.000 1.379) 9.656 7.405 ( 10.499 0.000 15.278) 18.538 7.665 ( 15.827 0.000 -2.889) 16.089 7.803 ( -7.831 -0.000 -12.661) 14.887 8.111 ( 14.482 0.000 0.218) 14.484 8.206 ( -5.660 -0.000 2.684) 6.264 8.410 ( 27.265 0.000 -5.236) 27.763 9.277 ( -2.729 -0.000 5.428) 6.076 9.651 ( -0.764 -0.000 -5.086) 5.143 9.947 ( -9.803 -0.000 4.416) 10.751 9.993 ( 17.583 0.000 1.827) 17.678 10.218 ( 67.502 0.000 0.343) 67.502 10.313 ( 34.742 0.000 -2.652) 34.843 10.941 ( 48.729 0.000 0.038) 48.729 10.949 ( 40.245 0.000 -1.574) 40.276 11.618 ( -14.426 -0.000 9.071) 17.041 12.262 ( -11.779 -0.000 -6.225) 13.323 12.645 ( -10.461 -0.000 4.139) 11.250 13.200 ( -13.695 -0.000 -10.479) 17.244 13.847 ( 11.974 0.000 1.985) 12.137 13.907 ( -18.225 -0.000 3.083) 18.484 14.052 ( -1.655 -0.000 0.565) 1.749 14.194 ( 9.040 0.000 -2.310) 9.330 14.525 ( -0.611 -0.000 6.202) 6.232 14.993 ( -19.753 -0.000 -4.469) 20.252 18.495 ( 0.940 0.000 11.681) 11.719 19.816 ( 6.426 0.000 -27.831) 28.563 20.941 ( 19.149 0.000 22.374) 29.449 22.063 ( 11.208 0.000 -13.073) 17.220 22.459 ( 14.597 0.000 0.665) 14.612 22.541 ( -3.600 -0.000 -0.704) 3.669 23.051 ( 4.303 0.000 6.008) 7.390 23.486 ( -0.961 -0.000 -4.905) 4.998 ======================= Grid point 237 (80/171) ======================= q-point: ( 0.21 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 4.176 -2.529 2.083) 5.308 2.140 ( 8.966 -2.258 3.007) 9.723 2.791 ( 9.301 1.595 -1.548) 9.563 2.966 ( 5.254 0.280 -8.055) 9.621 3.434 ( 2.331 -2.194 1.812) 3.679 3.527 ( -9.565 5.135 2.920) 11.242 3.697 ( -2.444 -5.217 2.422) 6.249 4.035 ( 8.299 -1.715 -5.435) 10.068 4.148 ( -4.177 1.014 7.028) 8.238 4.463 ( -0.666 7.011 -1.266) 7.156 4.919 ( 0.237 3.791 -3.002) 4.842 4.945 ( -1.707 0.107 -0.878) 1.923 6.143 ( 9.481 -1.592 -2.037) 9.827 6.224 ( 7.238 -1.952 -1.627) 7.671 6.401 ( 16.361 -8.733 10.112) 21.123 6.773 ( 23.763 -1.288 -1.909) 23.874 7.407 ( -1.703 5.477 5.014) 7.618 7.710 ( -3.606 -4.586 -11.053) 12.498 7.868 ( 1.147 -1.408 5.095) 5.408 8.171 ( 1.480 -2.481 7.382) 7.927 8.605 ( 32.583 0.938 -5.091) 32.992 8.869 ( 15.968 -1.340 -13.442) 20.916 9.268 ( 4.110 0.628 6.767) 7.943 9.622 ( -1.558 -0.546 -2.929) 3.362 9.853 ( -0.205 3.705 5.957) 7.018 9.913 ( -2.489 -4.524 3.846) 6.439 11.153 ( -9.858 9.306 7.510) 15.498 11.309 ( 43.291 9.898 0.228) 44.409 11.391 ( 36.612 2.106 -2.976) 36.793 11.655 ( 18.829 -8.913 0.401) 20.836 11.720 ( 26.201 -7.730 4.511) 27.687 11.951 ( -19.092 -1.081 -2.962) 19.350 12.627 ( 12.615 -0.542 -0.521) 12.638 12.964 ( -8.212 0.935 -11.073) 13.817 13.581 ( -13.394 1.549 7.727) 15.540 13.939 ( 2.004 1.743 -6.965) 7.454 14.161 ( 9.778 2.947 4.442) 11.137 14.291 ( 1.242 -2.021 0.448) 2.414 14.647 ( 11.442 1.949 -1.130) 11.661 14.688 ( -10.188 0.432 -0.965) 10.243 18.457 ( -3.206 2.985 12.879) 13.604 19.812 ( -4.014 3.377 -24.810) 25.358 21.187 ( 8.036 2.307 15.806) 17.881 22.042 ( -4.711 12.099 -12.201) 17.817 22.597 ( 11.391 0.601 6.085) 12.928 22.791 ( 8.929 -14.541 -0.894) 17.087 23.113 ( 0.611 -2.824 5.035) 5.805 23.469 ( -1.576 -2.144 -3.842) 4.673 ======================= Grid point 238 (81/171) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 8.786 -6.976 -1.252) 11.288 2.311 ( 7.099 -2.155 -0.066) 7.419 2.883 ( 1.944 1.209 -4.323) 4.892 3.023 ( 0.515 -1.090 -11.334) 11.398 3.381 ( -2.136 2.668 4.815) 5.904 3.498 ( 1.684 -4.599 4.839) 6.885 3.624 ( -8.687 -5.543 0.920) 10.346 4.121 ( 1.470 2.281 6.567) 7.106 4.151 ( 3.404 -2.108 -7.654) 8.638 4.368 ( -2.061 8.386 -0.604) 8.657 4.859 ( -3.963 4.341 0.222) 5.882 4.896 ( -2.774 1.349 1.660) 3.502 6.171 ( -0.920 5.671 -0.737) 5.792 6.312 ( 0.397 -2.216 -2.671) 3.493 6.881 ( 16.128 -6.016 11.332) 20.609 7.329 ( 26.191 -5.237 -1.741) 26.767 7.409 ( 10.018 7.233 -0.425) 12.364 7.659 ( -6.816 -3.414 -3.578) 8.421 7.857 ( -0.561 -12.771 0.035) 12.783 8.277 ( 6.400 -4.699 9.388) 12.295 8.977 ( 2.293 2.389 -8.706) 9.314 9.230 ( 23.852 -1.218 -13.240) 27.308 9.415 ( 8.096 -1.529 -3.186) 8.834 9.624 ( 3.276 0.710 -2.072) 3.941 9.933 ( 12.139 1.037 13.808) 18.414 10.039 ( 9.819 -1.603 4.902) 11.091 10.706 ( -23.743 6.743 12.644) 27.732 11.403 ( -16.413 9.432 3.236) 19.204 11.528 ( -11.257 8.179 -5.101) 14.820 11.615 ( -7.410 8.124 -0.098) 10.996 12.210 ( 19.864 -11.281 -2.592) 22.990 12.330 ( 22.395 -9.065 -0.167) 24.160 12.905 ( 1.354 0.374 -7.090) 7.228 12.998 ( 15.458 -4.202 -3.551) 16.408 13.401 ( -3.873 0.313 10.734) 11.416 13.977 ( 2.116 2.800 -10.879) 11.431 14.263 ( 3.687 3.493 2.807) 5.803 14.303 ( -0.291 1.515 1.821) 2.387 14.635 ( 3.844 -2.144 2.400) 5.014 14.854 ( 8.956 2.800 -3.035) 9.862 18.346 ( -5.849 2.739 13.234) 14.726 19.660 ( -8.414 3.340 -21.713) 23.524 21.259 ( 1.990 2.574 11.175) 11.639 21.862 ( -5.319 7.901 -7.154) 11.912 22.822 ( 10.582 -1.558 4.055) 11.439 23.018 ( 4.848 -4.994 -1.956) 7.229 23.142 ( 2.419 -6.755 5.124) 8.817 23.459 ( -0.720 -1.745 -3.354) 3.848 ======================= Grid point 239 (82/171) ======================= q-point: ( 0.36 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 5.917 -4.569 -1.579) 7.640 2.454 ( 7.080 -2.672 -0.399) 7.578 2.874 ( -2.105 0.283 -5.120) 5.543 3.007 ( -4.447 -5.528 -11.532) 13.540 3.351 ( -2.047 0.878 4.882) 5.366 3.490 ( -7.427 -5.944 1.536) 9.636 3.568 ( 1.969 -4.816 6.639) 8.435 4.130 ( 1.085 3.599 1.323) 3.985 4.237 ( 3.589 0.486 -7.739) 8.545 4.286 ( 0.712 6.808 -1.604) 7.031 4.709 ( -9.130 -0.165 4.148) 10.029 4.834 ( -2.557 -0.016 2.668) 3.696 6.046 ( -6.578 6.605 2.494) 9.650 6.322 ( 1.229 1.800 -8.117) 8.404 7.003 ( -1.065 -1.129 12.872) 12.965 7.386 ( -15.959 -7.998 8.005) 19.564 7.565 ( 7.186 5.307 -8.589) 12.393 7.900 ( 17.283 -6.489 -0.186) 18.462 8.089 ( 12.305 -4.693 2.796) 13.463 8.491 ( 11.021 -11.592 -6.181) 17.147 8.976 ( -0.453 0.843 -0.660) 1.163 9.472 ( 6.336 -0.799 -6.245) 8.932 9.519 ( -0.271 1.702 -7.929) 8.114 9.800 ( 6.919 2.672 -9.755) 12.254 10.063 ( -5.675 6.642 13.524) 16.100 10.256 ( -0.654 6.408 5.296) 8.339 10.364 ( 14.050 -5.120 16.376) 22.176 10.954 ( -19.818 9.984 6.558) 23.140 11.323 ( -0.658 0.550 -5.617) 5.683 11.361 ( -9.705 12.019 -1.590) 15.530 12.463 ( 0.359 -8.875 -4.445) 9.933 12.589 ( 0.294 -4.369 -4.423) 6.224 12.912 ( -2.700 -3.453 -0.711) 4.441 13.163 ( -0.979 -2.104 0.335) 2.344 13.404 ( -0.923 -6.597 7.108) 9.741 13.936 ( -4.146 1.664 -9.557) 10.549 14.246 ( -3.226 4.276 3.611) 6.460 14.305 ( 0.851 3.047 -0.207) 3.170 14.720 ( 0.507 -2.616 1.834) 3.235 14.901 ( -2.481 2.912 -2.535) 4.589 18.203 ( -7.625 0.054 13.193) 15.238 19.464 ( -10.137 -0.184 -19.557) 22.029 21.254 ( -0.354 2.336 8.714) 9.028 21.739 ( -3.048 4.490 -5.362) 7.629 22.970 ( 0.736 1.053 3.094) 3.350 23.073 ( 5.359 -2.589 1.022) 6.039 23.356 ( 12.453 -3.847 0.803) 13.059 23.471 ( 1.430 -0.328 -2.119) 2.578 ======================= Grid point 240 (83/171) ======================= q-point: (-0.57 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -1.138 -0.110 -0.440) 1.225 2.573 ( 1.603 -0.563 1.630) 2.354 2.795 ( -5.968 0.518 -3.746) 7.065 2.926 ( -8.989 -7.585 -8.504) 14.514 3.264 ( -7.260 -6.919 8.387) 13.074 3.437 ( -2.057 -1.404 1.352) 2.834 3.633 ( 1.904 -2.505 6.899) 7.583 4.116 ( 0.864 4.454 -4.820) 6.620 4.192 ( -2.032 5.114 -3.500) 6.522 4.343 ( 1.958 2.960 -7.826) 8.593 4.579 ( -3.589 -4.322 6.496) 8.588 4.818 ( 0.678 -2.120 0.904) 2.402 5.898 ( -4.243 0.235 6.901) 8.104 6.351 ( 3.706 2.296 -12.095) 12.857 6.942 ( -8.975 -7.819 8.245) 14.480 7.153 ( -10.958 -5.628 14.796) 19.253 7.597 ( -0.742 3.561 -13.515) 13.996 8.045 ( 1.190 10.403 0.073) 10.472 8.334 ( 8.208 -5.863 7.235) 12.413 8.742 ( 4.458 1.349 -11.197) 12.127 8.938 ( -4.583 -1.085 -8.645) 9.845 9.251 ( -23.184 1.321 -3.572) 23.495 9.589 ( 1.369 -4.441 3.078) 5.574 9.713 ( -5.688 2.328 5.570) 8.294 9.930 ( -0.246 12.767 6.072) 14.140 10.263 ( 7.250 4.922 -1.306) 8.860 10.485 ( -11.255 9.581 9.109) 17.362 10.881 ( 18.110 -6.993 9.003) 21.399 11.128 ( -7.144 9.201 -1.976) 11.815 11.502 ( 14.233 -2.076 -5.693) 15.469 12.397 ( -12.531 -6.062 -3.849) 14.442 12.511 ( -8.978 -11.379 -5.361) 15.454 12.803 ( -12.979 -2.903 -0.086) 13.300 13.004 ( -17.831 -0.125 0.980) 17.858 13.356 ( -8.033 -5.907 6.936) 12.146 13.822 ( -5.689 0.520 -9.389) 10.990 14.107 ( -7.283 0.630 4.491) 8.580 14.242 ( -5.518 2.882 -1.428) 6.387 14.652 ( -8.944 -1.603 1.357) 9.187 14.769 ( -6.859 0.449 -1.474) 7.030 18.055 ( -9.207 -4.474 13.096) 16.622 19.280 ( -11.177 -6.092 -18.273) 22.269 21.211 ( -2.878 2.118 7.499) 8.307 21.654 ( -4.251 2.530 -4.922) 6.979 22.914 ( -4.015 0.881 4.071) 5.785 23.206 ( 5.449 1.136 -2.775) 6.219 23.521 ( 4.706 2.012 2.002) 5.495 23.643 ( 15.655 1.643 -0.892) 15.766 ======================= Grid point 241 (84/171) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -7.704 1.016 -0.216) 7.773 2.507 ( -6.578 3.324 2.824) 7.892 2.638 ( -8.987 2.300 1.010) 9.331 2.771 ( -11.417 -7.212 -8.726) 16.078 3.195 ( -5.592 -8.552 14.678) 17.885 3.425 ( -0.886 -3.869 4.665) 6.125 3.673 ( 1.045 0.830 5.967) 6.114 4.087 ( -2.036 5.721 -6.303) 8.752 4.123 ( -1.331 0.250 -5.785) 5.941 4.315 ( -0.793 -0.255 -4.414) 4.492 4.595 ( 1.344 1.820 -0.234) 2.274 4.900 ( 5.791 -2.343 0.644) 6.280 5.901 ( 0.541 -8.343 7.515) 11.242 6.448 ( 5.004 -4.082 -11.851) 13.497 6.768 ( -13.319 -9.781 5.022) 17.271 7.063 ( 0.022 4.755 17.165) 17.811 7.474 ( -8.942 4.499 -13.049) 16.446 7.927 ( -4.318 11.515 1.655) 12.409 8.322 ( -11.723 10.635 -3.114) 16.132 8.537 ( -21.461 2.458 1.153) 21.632 8.849 ( -0.226 -0.345 -11.676) 11.683 8.886 ( -8.888 7.262 -7.023) 13.456 9.437 ( -12.109 6.270 3.192) 14.005 9.746 ( 0.215 -2.813 0.457) 2.858 9.801 ( -1.174 8.881 11.846) 14.851 10.296 ( -8.292 -2.640 13.885) 16.386 10.369 ( 1.341 3.025 -2.341) 4.053 10.818 ( -17.429 7.530 -0.413) 18.991 11.190 ( 2.585 -4.959 3.893) 6.814 11.717 ( 3.702 -4.741 -7.762) 9.820 12.214 ( -13.066 4.715 -0.768) 13.912 12.335 ( -28.637 -2.578 2.146) 28.833 12.428 ( -28.058 -10.835 -1.221) 30.102 12.591 ( 2.818 -6.645 -10.453) 12.703 13.311 ( 1.063 -4.783 9.244) 10.462 13.741 ( -4.707 -0.960 -7.180) 8.639 13.952 ( -8.854 -1.746 3.189) 9.572 14.138 ( -3.893 -6.196 -2.299) 7.670 14.470 ( -8.065 -0.425 3.381) 8.755 14.679 ( -2.694 -0.523 -1.997) 3.394 17.904 ( -12.064 -10.417 13.156) 20.667 19.112 ( -13.550 -13.768 -17.577) 26.117 21.083 ( -9.776 2.082 6.623) 11.990 21.496 ( -12.120 0.325 -4.743) 13.019 22.812 ( -5.489 2.099 5.066) 7.758 23.247 ( 0.807 3.668 -7.133) 8.062 23.605 ( 5.804 4.949 6.933) 10.308 23.932 ( 16.894 6.666 -2.661) 18.355 ======================= Grid point 242 (85/171) ======================= q-point: (-0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -11.665 5.837 -1.238) 13.103 2.330 ( -9.518 -0.673 3.722) 10.242 2.416 ( -11.213 5.243 2.373) 12.604 2.620 ( -8.924 -6.840 -9.851) 14.949 3.164 ( -3.760 -7.544 20.644) 22.299 3.434 ( -2.778 -5.459 7.769) 9.893 3.605 ( -6.091 6.002 4.498) 9.662 4.053 ( 1.572 -2.369 -4.586) 5.396 4.107 ( -0.757 0.172 -4.305) 4.375 4.308 ( -0.972 5.266 -13.111) 14.162 4.605 ( 1.446 -2.730 1.274) 3.342 5.038 ( 5.654 -2.185 2.085) 6.410 5.962 ( -2.903 -9.014 7.994) 12.393 6.423 ( -13.816 -5.294 -0.922) 14.825 6.715 ( 2.142 -5.966 2.429) 6.789 7.063 ( 6.935 15.510 5.253) 17.784 7.203 ( -14.659 4.848 -3.318) 15.792 7.759 ( -20.555 4.543 -6.411) 22.006 7.809 ( -9.226 9.009 2.458) 13.127 8.155 ( -17.693 9.100 4.669) 20.436 8.662 ( -14.982 7.903 -14.596) 22.360 8.808 ( -1.133 10.807 -16.947) 20.132 9.215 ( -0.514 2.661 8.983) 9.383 9.645 ( -19.517 -7.033 -4.108) 21.148 9.775 ( -5.815 0.118 13.562) 14.756 9.912 ( -30.311 1.940 11.720) 32.556 10.150 ( -16.580 -5.123 0.178) 17.354 10.417 ( -17.156 13.963 -1.092) 22.147 11.068 ( -26.360 3.722 4.166) 26.946 11.497 ( -16.386 -2.284 1.145) 16.584 11.651 ( -21.891 14.475 -4.936) 26.704 11.950 ( 6.485 -9.519 -4.865) 12.503 12.620 ( 15.837 -7.074 -1.331) 17.396 12.842 ( 11.899 -12.626 -5.275) 18.134 13.421 ( 1.172 -8.183 1.231) 8.357 13.592 ( -8.536 -5.133 0.029) 9.961 13.886 ( -0.172 -3.109 1.332) 3.386 14.110 ( -5.516 -7.508 3.274) 9.875 14.448 ( 5.743 -2.052 0.242) 6.104 14.673 ( 1.365 -3.703 -2.992) 4.952 17.720 ( -17.493 -17.466 13.502) 28.167 18.937 ( -18.194 -22.789 -17.420) 33.968 20.763 ( -22.621 2.180 5.937) 23.488 21.147 ( -25.587 -3.285 -4.552) 26.195 22.673 ( -6.466 4.114 6.102) 9.797 23.193 ( -2.683 6.311 -8.756) 11.121 23.659 ( 4.509 7.969 9.755) 13.379 24.199 ( 17.070 10.913 -5.463) 20.984 ======================= Grid point 243 (86/171) ======================= q-point: (-0.36 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -12.635 9.373 -1.916) 15.848 2.130 ( -12.619 10.858 3.134) 16.939 2.165 ( -8.449 -2.108 1.974) 8.929 2.527 ( -5.223 -5.982 -11.893) 14.301 3.144 ( -3.233 -3.227 20.166) 20.677 3.331 ( -7.921 2.834 5.765) 10.199 3.464 ( -5.679 -5.559 7.273) 10.772 3.999 ( -9.700 11.561 -5.042) 15.912 4.096 ( -2.440 1.369 0.162) 2.803 4.256 ( 1.609 -6.787 -13.686) 15.361 4.714 ( 2.308 -13.384 2.997) 13.909 5.089 ( -4.218 0.604 5.430) 6.903 5.785 ( -19.167 2.692 4.111) 19.787 6.169 ( -10.171 2.597 2.489) 10.789 6.694 ( -23.503 -12.111 15.997) 30.902 6.804 ( -7.769 1.356 -5.158) 9.424 7.149 ( 7.738 18.167 0.987) 19.771 7.287 ( -16.445 3.343 -10.301) 19.691 7.705 ( -11.912 3.049 3.480) 12.779 7.876 ( -7.227 3.873 -2.761) 8.652 8.104 ( -22.077 4.599 -1.238) 22.585 8.803 ( -5.494 10.314 -11.935) 16.703 8.894 ( -37.884 2.607 0.118) 37.973 9.113 ( -35.757 5.654 -3.655) 36.386 9.331 ( 1.151 1.597 10.704) 10.883 9.667 ( -10.595 -2.709 2.396) 11.196 9.789 ( -29.950 -1.713 0.988) 30.015 10.167 ( -0.511 -0.101 -6.521) 6.542 10.486 ( -3.410 18.096 11.996) 21.977 11.265 ( 1.316 22.998 -10.267) 25.220 11.684 ( 11.143 -7.734 7.082) 15.301 12.167 ( 7.509 -9.111 -4.415) 12.605 12.951 ( 13.361 -3.810 0.348) 13.898 13.143 ( 7.520 -15.347 -2.927) 17.340 13.262 ( -16.092 -5.749 0.129) 17.088 13.591 ( -4.526 -7.657 -11.312) 14.390 14.063 ( 5.167 -0.283 5.988) 7.914 14.100 ( 12.615 -12.467 12.123) 21.484 14.563 ( 4.077 2.709 -1.592) 5.147 14.895 ( 14.965 -17.334 -5.818) 23.628 17.456 ( -25.386 -24.682 14.150) 38.130 18.713 ( -25.064 -31.495 -18.189) 44.170 20.152 ( -39.019 2.174 6.188) 39.566 20.535 ( -42.078 -8.179 -4.527) 43.104 22.505 ( -6.509 8.299 7.263) 12.806 23.061 ( -5.033 9.011 -7.642) 12.843 23.677 ( 4.107 10.055 9.875) 14.679 24.442 ( 17.487 14.857 -10.084) 25.064 ======================= Grid point 244 (87/171) ======================= q-point: (-0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -13.440 14.908 0.210) 20.073 1.763 ( -15.681 15.427 5.339) 22.636 2.039 ( -5.613 -0.837 -0.964) 5.757 2.499 ( -0.972 -1.782 -16.893) 17.015 2.988 ( -8.535 10.588 3.745) 14.106 3.290 ( 1.867 -3.119 15.808) 16.221 3.409 ( -5.675 -3.696 8.276) 10.694 3.657 ( -13.006 6.488 3.351) 14.916 3.957 ( -11.341 -2.192 -0.770) 11.576 4.317 ( -7.968 3.849 -1.769) 9.024 4.657 ( -20.202 11.136 10.788) 25.466 4.845 ( -6.844 -18.044 0.298) 19.300 5.481 ( -11.430 -9.650 -5.326) 15.879 5.892 ( -19.647 4.501 -5.254) 20.829 6.221 ( -21.868 -11.342 24.236) 34.558 6.710 ( -17.149 -2.593 -6.244) 18.433 6.943 ( -30.675 -10.982 -9.223) 33.862 7.060 ( -6.398 -3.708 2.520) 7.812 7.384 ( -7.764 13.962 1.068) 16.012 7.531 ( -5.754 7.114 5.860) 10.865 7.954 ( -12.412 11.008 6.447) 17.799 8.125 ( -15.845 10.774 3.927) 19.559 8.424 ( -12.291 2.859 -1.779) 12.744 8.813 ( -11.913 5.423 -8.124) 15.406 9.302 ( -9.445 -3.136 2.962) 10.383 9.436 ( 7.682 0.000 4.648) 8.979 9.640 ( 5.719 -0.111 -7.300) 9.274 10.230 ( 15.560 19.505 -3.416) 25.184 10.618 ( 15.942 5.067 5.722) 17.679 11.232 ( 8.894 18.757 -8.761) 22.531 11.912 ( 5.834 -5.226 4.514) 9.040 12.356 ( 5.161 -6.742 -6.394) 10.629 12.955 ( -17.633 -9.440 4.280) 20.454 13.188 ( 7.526 -0.934 3.084) 8.187 13.312 ( -3.445 -21.292 -5.169) 22.180 13.585 ( 4.422 1.013 -5.625) 7.227 14.076 ( -0.427 -2.665 8.079) 8.518 14.515 ( 5.958 1.981 -5.816) 8.559 14.780 ( 27.874 -13.839 9.906) 32.659 15.413 ( 21.422 -23.707 -7.155) 32.743 17.075 ( -33.393 -29.230 14.647) 46.734 18.377 ( -34.882 -34.600 -20.363) 53.184 19.253 ( -51.267 -0.753 7.624) 51.836 19.627 ( -58.434 -11.465 -4.222) 59.697 22.293 ( -6.582 16.703 9.206) 20.175 22.899 ( -4.388 8.808 -5.828) 11.437 23.681 ( 3.957 11.316 7.859) 14.335 24.669 ( 18.029 18.869 -18.033) 31.721 ======================= Grid point 245 (88/171) ======================= q-point: (-0.21 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -10.032 19.819 5.918) 22.988 1.322 ( -16.553 18.947 8.427) 26.533 1.950 ( -3.719 1.135 -5.965) 7.121 2.464 ( -1.165 14.304 -10.747) 17.929 2.754 ( -6.261 9.422 0.629) 11.331 3.082 ( -12.670 14.106 2.415) 19.114 3.427 ( -19.105 10.858 6.277) 22.854 3.462 ( 4.922 -3.745 11.415) 12.983 3.689 ( -9.674 -2.424 1.189) 10.044 3.867 ( -12.419 -1.866 18.376) 22.258 4.558 ( 0.825 -2.611 1.349) 3.053 4.800 ( -11.112 -13.036 -8.189) 18.986 5.318 ( -11.698 -16.332 9.063) 22.039 5.586 ( -4.121 0.103 -11.196) 11.931 5.972 ( -19.934 -14.037 9.802) 26.277 6.106 ( -36.054 -15.506 5.005) 39.564 6.465 ( -16.343 -9.464 5.513) 19.674 7.112 ( 4.854 15.053 8.264) 17.845 7.275 ( 4.304 4.902 -0.674) 6.558 7.472 ( 5.974 2.617 3.938) 7.619 7.832 ( 7.292 7.231 4.417) 11.179 8.032 ( -0.140 -4.981 6.659) 8.317 8.212 ( -12.929 -1.184 0.325) 12.987 8.516 ( -9.763 5.400 2.026) 11.339 9.221 ( 0.221 -3.060 3.246) 4.466 9.769 ( 7.315 1.211 -4.785) 8.824 9.886 ( 36.906 10.890 -0.327) 38.480 10.432 ( 19.196 25.795 1.427) 32.185 10.897 ( 12.642 -0.591 -0.707) 12.676 11.319 ( 7.118 3.523 -4.834) 9.297 11.940 ( -7.089 -3.860 -6.658) 10.463 12.270 ( -19.839 -4.208 -12.874) 24.022 12.900 ( 8.136 -8.372 12.158) 16.856 13.280 ( 1.875 -2.596 4.925) 5.874 13.416 ( 2.808 -14.810 -2.732) 15.320 13.729 ( 11.570 2.405 -0.184) 11.819 14.083 ( -2.454 -7.502 6.029) 9.932 14.505 ( -4.711 -1.533 -6.459) 8.140 15.525 ( 32.763 -10.886 8.935) 35.661 15.878 ( -3.208 -28.546 -5.846) 29.314 16.631 ( -29.433 -27.741 14.729) 43.045 17.816 ( -37.038 -17.815 -17.951) 44.849 18.265 ( -53.119 -9.267 6.556) 54.319 18.566 ( -50.759 -11.238 -3.441) 52.102 22.024 ( -4.976 25.876 12.303) 29.081 22.785 ( -2.000 5.983 -5.575) 8.419 23.663 ( 2.499 12.305 5.059) 13.537 24.855 ( 15.263 23.481 -32.338) 42.779 ======================= Grid point 246 (89/171) ======================= q-point: (-0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 0.000 19.261 15.754) 24.883 0.940 ( 0.000 23.491 9.834) 25.467 1.895 ( 0.000 1.944 -11.151) 11.320 2.187 ( 0.000 42.796 29.179) 51.797 2.691 ( -0.000 -3.242 -23.465) 23.688 2.844 ( 0.000 9.014 5.727) 10.680 3.126 ( 0.000 8.887 -2.093) 9.130 3.508 ( 0.000 2.013 1.281) 2.386 3.636 ( -0.000 -4.492 -1.732) 4.814 3.803 ( -0.000 -9.458 24.964) 26.695 4.544 ( 0.000 10.655 -4.699) 11.645 4.750 ( -0.000 -12.234 -11.038) 16.477 5.386 ( -0.000 -20.252 16.124) 25.886 5.692 ( -0.000 -12.099 -8.137) 14.581 5.720 ( -0.000 -8.810 0.960) 8.862 5.800 ( -0.000 -10.073 -0.968) 10.119 6.489 ( -0.000 -23.940 25.779) 35.181 6.981 ( 0.000 23.707 7.790) 24.954 7.402 ( -0.000 -4.518 3.977) 6.019 7.667 ( -0.000 -12.673 2.116) 12.848 7.871 ( 0.000 0.690 1.078) 1.280 7.956 ( -0.000 -0.044 -0.964) 0.965 8.112 ( -0.000 -0.514 16.282) 16.290 8.439 ( -0.000 -1.428 7.284) 7.422 9.276 ( -0.000 -5.666 4.162) 7.031 9.837 ( 0.000 2.436 -6.795) 7.219 10.474 ( 0.000 23.054 5.417) 23.682 10.650 ( -0.000 -7.112 2.328) 7.484 11.030 ( 0.000 1.021 -1.032) 1.452 11.169 ( 0.000 2.918 6.400) 7.034 11.888 ( -0.000 -3.979 -18.229) 18.659 11.942 ( 0.000 0.384 -15.907) 15.912 13.128 ( -0.000 -3.472 5.073) 6.147 13.264 ( 0.000 0.733 17.353) 17.368 13.610 ( -0.000 -16.263 -5.820) 17.273 14.097 ( -0.000 -9.424 3.598) 10.087 14.182 ( 0.000 0.200 -8.469) 8.472 14.256 ( -0.000 -17.523 5.270) 18.299 15.462 ( 0.000 6.108 10.691) 12.313 16.066 ( -0.000 -15.089 10.414) 18.334 16.402 ( -0.000 -21.658 19.449) 29.109 17.643 ( -0.000 -0.601 2.113) 2.196 17.801 ( -0.000 -0.449 -1.732) 1.790 17.974 ( -0.000 -26.621 -14.306) 30.222 21.773 ( 0.000 29.248 15.281) 32.999 22.732 ( 0.000 3.948 -6.334) 7.464 23.599 ( 0.000 12.576 1.895) 12.718 24.832 ( 0.000 34.560 -51.109) 61.697 ======================= Grid point 251 (90/171) ======================= q-point: ( 0.21 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 8.851 0.000 -1.292) 8.944 2.295 ( 7.760 0.000 -0.444) 7.772 2.892 ( 1.342 0.000 -4.903) 5.084 3.014 ( -0.686 -0.000 -12.872) 12.890 3.408 ( -2.851 -0.000 3.194) 4.281 3.460 ( 1.324 0.000 4.693) 4.877 3.582 ( -7.959 -0.000 4.787) 9.288 4.135 ( 3.741 0.000 -6.750) 7.718 4.138 ( 1.753 0.000 7.211) 7.421 4.427 ( -3.330 -0.000 -0.586) 3.381 4.898 ( -5.565 -0.000 -1.012) 5.656 4.900 ( -3.117 -0.000 1.114) 3.310 6.250 ( 4.080 0.000 -2.909) 5.011 6.258 ( -2.371 -0.000 0.217) 2.381 6.835 ( 20.920 0.000 11.048) 23.658 7.293 ( 27.721 0.000 -3.226) 27.909 7.471 ( 7.862 0.000 -2.376) 8.214 7.659 ( -0.381 -0.000 -12.704) 12.710 7.724 ( -10.146 -0.000 10.990) 14.957 8.248 ( 6.501 0.000 12.405) 14.005 8.996 ( 1.028 0.000 -11.717) 11.762 9.219 ( 25.796 0.000 -11.211) 28.127 9.405 ( 7.274 0.000 -4.544) 8.577 9.630 ( 4.897 0.000 -1.649) 5.167 9.941 ( 10.907 0.000 14.199) 17.904 10.027 ( 11.299 0.000 5.566) 12.595 10.754 ( -25.088 -0.000 12.324) 27.951 11.477 ( -18.128 -0.000 3.432) 18.450 11.558 ( -18.176 -0.000 -5.239) 18.916 11.740 ( -5.074 -0.000 -2.494) 5.653 12.084 ( 23.934 0.000 0.924) 23.951 12.266 ( 27.166 0.000 -0.745) 27.176 12.909 ( 0.065 0.000 -8.623) 8.623 12.964 ( 14.965 0.000 -3.615) 15.395 13.405 ( -5.064 -0.000 11.328) 12.408 13.997 ( 1.682 0.000 -11.081) 11.207 14.296 ( 2.022 0.000 3.733) 4.245 14.307 ( 1.884 0.000 0.724) 2.018 14.619 ( 3.501 0.000 3.076) 4.660 14.874 ( 8.851 0.000 -3.411) 9.486 18.365 ( -6.896 -0.000 13.218) 14.909 19.683 ( -9.718 -0.000 -21.934) 23.990 21.278 ( 1.599 0.000 11.677) 11.786 21.925 ( -8.238 -0.000 -8.117) 11.565 22.811 ( 11.209 0.000 4.104) 11.937 22.971 ( 10.396 0.000 -1.168) 10.461 23.097 ( 0.785 0.000 5.248) 5.306 23.447 ( -0.036 -0.000 -3.650) 3.650 ======================= Grid point 252 (91/171) ======================= q-point: ( 0.29 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 10.413 -2.251 -2.293) 10.897 2.434 ( 6.110 -0.596 -0.965) 6.214 2.877 ( -2.195 0.145 -6.144) 6.526 2.935 ( -8.183 -3.347 -13.898) 16.472 3.374 ( -6.110 1.934 5.810) 8.650 3.425 ( -1.325 -3.022 1.659) 3.694 3.522 ( 2.294 -1.816 8.990) 9.454 4.162 ( 1.082 0.930 3.031) 3.350 4.239 ( 6.968 0.149 -6.257) 9.366 4.356 ( -3.146 2.632 -0.698) 4.161 4.709 ( -12.429 0.081 2.555) 12.689 4.833 ( -3.578 -0.106 1.031) 3.725 6.133 ( -7.755 4.472 2.074) 9.190 6.332 ( 3.398 -0.301 -8.675) 9.321 6.987 ( -3.139 -0.900 12.506) 12.925 7.307 ( -16.939 -2.670 13.315) 21.711 7.645 ( 2.006 4.119 -15.977) 16.620 7.784 ( 19.549 -5.677 -0.252) 20.358 8.055 ( 28.597 -1.996 -3.637) 28.897 8.370 ( 4.973 -4.469 6.970) 9.658 8.987 ( -1.422 0.529 -5.048) 5.271 9.435 ( -0.336 -1.773 -2.966) 3.471 9.570 ( 9.744 2.469 -8.809) 13.365 9.827 ( 4.142 1.034 -15.940) 16.502 10.138 ( 4.507 3.774 15.452) 16.533 10.297 ( 3.605 -3.486 19.695) 20.324 10.322 ( 2.436 2.396 7.552) 8.289 11.064 ( -20.775 4.609 4.884) 21.834 11.321 ( -2.587 -0.166 -5.686) 6.249 11.522 ( -10.096 7.910 -4.597) 13.625 12.332 ( -0.379 -6.970 -0.054) 6.981 12.544 ( 0.740 -1.742 -3.107) 3.638 12.888 ( -2.836 -0.515 -5.207) 5.951 13.122 ( 0.630 -2.332 -4.258) 4.895 13.350 ( -2.649 -1.495 12.381) 12.750 13.948 ( -5.603 0.325 -9.188) 10.767 14.291 ( -3.302 1.766 2.916) 4.746 14.338 ( 0.994 1.385 -0.136) 1.710 14.691 ( 0.650 -1.181 2.665) 2.987 14.931 ( -3.239 1.197 -3.164) 4.684 18.204 ( -9.474 0.023 13.160) 16.216 19.462 ( -12.542 -0.077 -19.509) 23.193 21.279 ( -0.666 1.063 8.930) 9.018 21.790 ( -4.740 2.094 -5.783) 7.765 22.988 ( -1.312 1.279 2.670) 3.238 23.038 ( 9.065 -1.975 1.671) 9.426 23.313 ( 15.938 -1.804 1.141) 16.080 23.467 ( 2.201 -0.165 -2.497) 3.333 ======================= Grid point 253 (92/171) ======================= q-point: (-0.64 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -1.370 0.939 -0.335) 1.694 2.541 ( 2.083 -3.796 1.723) 4.660 2.780 ( -8.004 -3.638 -8.098) 11.953 2.835 ( -3.446 -2.220 -5.026) 6.485 3.205 ( -9.555 -1.996 8.058) 12.658 3.446 ( 0.582 1.160 -1.055) 1.672 3.597 ( 3.360 -2.207 8.565) 9.461 4.170 ( 0.906 2.802 -2.172) 3.659 4.249 ( -3.982 3.275 -1.301) 5.318 4.368 ( -0.603 0.305 -4.796) 4.844 4.529 ( -0.500 -2.512 3.005) 3.949 4.786 ( -1.195 -2.146 -1.810) 3.051 5.934 ( -8.169 3.931 6.002) 10.873 6.381 ( 1.833 1.704 -13.424) 13.655 6.798 ( -16.396 -10.119 7.983) 20.855 7.136 ( -2.034 1.289 21.584) 21.718 7.628 ( -2.831 1.055 -18.853) 19.094 8.106 ( 8.525 -2.694 -0.046) 8.941 8.314 ( 5.615 5.154 8.409) 11.349 8.710 ( 17.168 -5.857 -15.069) 23.582 8.910 ( -6.791 -1.207 -5.483) 8.811 9.256 ( -21.547 -0.569 -3.620) 21.857 9.598 ( -1.224 4.601 5.010) 6.911 9.718 ( -6.179 -1.533 5.527) 8.431 10.101 ( -0.843 10.632 5.442) 11.973 10.301 ( 6.098 0.273 3.200) 6.892 10.628 ( -10.850 9.318 6.875) 15.869 10.793 ( 16.920 -5.295 8.326) 19.587 11.297 ( -5.483 13.048 -5.066) 15.032 11.480 ( 13.861 -0.980 -6.450) 15.320 12.247 ( -12.710 -13.281 -1.558) 18.449 12.376 ( -18.227 -6.836 -2.123) 19.582 12.789 ( -8.758 0.339 -4.613) 9.904 12.995 ( -16.962 -1.072 -2.611) 17.195 13.289 ( -5.036 -3.266 11.172) 12.683 13.819 ( -6.924 -0.694 -8.547) 11.022 14.127 ( -10.357 1.625 4.144) 11.273 14.282 ( -6.664 2.490 -1.686) 7.310 14.631 ( -7.454 -1.353 1.653) 7.754 14.775 ( -9.089 0.367 -1.847) 9.282 18.006 ( -11.699 -2.416 13.023) 17.672 19.213 ( -14.356 -3.294 -17.741) 23.058 21.239 ( -2.916 1.628 7.295) 8.023 21.690 ( -5.144 2.137 -5.132) 7.574 22.924 ( -3.744 0.471 4.019) 5.513 23.215 ( 6.919 0.347 -2.843) 7.489 23.540 ( 5.680 0.809 1.986) 6.071 23.656 ( 18.309 0.361 -0.739) 18.327 ======================= Grid point 254 (93/171) ======================= q-point: (-0.57 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -13.117 -7.744 4.016) 15.753 2.502 ( -8.134 -2.207 2.536) 8.801 2.677 ( -4.409 4.648 -3.215) 7.168 2.749 ( -5.745 2.732 -2.256) 6.750 3.083 ( -5.205 -7.279 11.298) 14.412 3.426 ( -0.832 2.143 0.628) 2.383 3.670 ( 2.951 -0.825 6.151) 6.872 4.127 ( -5.968 1.307 -2.640) 6.656 4.164 ( -0.582 4.073 -5.454) 6.832 4.283 ( -3.571 -3.445 2.301) 5.469 4.650 ( 7.175 4.992 -6.472) 10.876 4.852 ( 5.887 -4.275 -2.070) 7.564 5.817 ( -3.009 -3.062 7.960) 9.044 6.348 ( -8.264 -9.308 -11.080) 16.664 6.644 ( -4.792 -6.994 6.433) 10.642 7.146 ( 5.867 6.538 18.439) 20.425 7.495 ( -10.904 -0.542 -17.443) 20.578 8.070 ( -8.798 7.782 3.818) 12.350 8.403 ( 0.758 -0.022 5.656) 5.706 8.594 ( -22.537 6.392 -5.881) 24.152 8.829 ( -3.618 -0.898 -13.854) 14.347 8.988 ( -1.474 4.948 -11.241) 12.370 9.514 ( -6.538 5.383 4.958) 9.814 9.694 ( -0.119 -3.854 9.200) 9.975 9.932 ( -7.118 9.282 5.735) 13.027 10.296 ( -10.453 -2.989 3.003) 11.279 10.403 ( -7.780 6.987 11.975) 15.898 10.983 ( -5.511 10.379 -3.165) 12.170 11.144 ( -1.915 1.560 3.167) 4.016 11.674 ( 2.718 -0.883 -8.715) 9.171 12.155 ( -3.655 -15.934 -0.956) 16.376 12.172 ( -7.931 -12.668 0.540) 14.956 12.382 ( -40.118 2.962 0.105) 40.227 12.574 ( -10.216 1.667 -11.585) 15.536 13.256 ( 0.215 -2.886 11.574) 11.930 13.726 ( -4.938 -1.529 -6.164) 8.045 13.934 ( -8.519 -0.761 1.797) 8.740 14.070 ( -11.778 -3.204 -2.040) 12.376 14.472 ( -6.964 0.556 3.153) 7.665 14.666 ( -3.021 -1.250 -1.895) 3.779 17.781 ( -15.247 -6.953 13.063) 21.248 18.949 ( -17.622 -9.163 -16.368) 25.737 21.115 ( -9.460 2.195 5.811) 11.317 21.512 ( -13.002 1.581 -4.797) 13.948 22.834 ( -5.010 1.121 5.032) 7.188 23.288 ( 1.833 2.149 -8.060) 8.540 23.659 ( 7.136 2.822 7.842) 10.971 24.001 ( 18.423 3.394 -2.570) 18.909 ======================= Grid point 255 (94/171) ======================= q-point: (-0.50 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -13.456 -12.164 5.717) 19.019 2.291 ( -12.817 0.354 1.021) 12.862 2.486 ( -9.924 5.390 3.129) 11.718 2.638 ( -2.558 7.281 -6.243) 9.927 3.072 ( -2.028 -5.935 18.021) 19.081 3.392 ( -2.383 -0.490 4.940) 5.507 3.696 ( -0.718 5.261 6.625) 8.490 3.998 ( -4.983 -3.471 -9.010) 10.865 4.121 ( -2.056 1.529 -5.318) 5.903 4.303 ( 1.160 -4.600 0.222) 4.749 4.681 ( 1.914 11.345 -7.225) 13.586 5.002 ( 4.974 -2.384 -0.365) 5.528 5.827 ( -2.139 -9.413 7.414) 12.172 6.247 ( -10.821 -17.350 -5.121) 21.079 6.627 ( -4.148 -5.935 9.993) 12.340 7.161 ( -18.979 -2.419 -9.665) 21.436 7.328 ( 13.833 13.946 9.334) 21.747 7.797 ( -11.820 2.664 1.137) 12.170 8.011 ( -20.593 14.454 -1.954) 25.235 8.314 ( -14.577 12.932 1.224) 19.525 8.746 ( -10.685 4.393 -5.620) 12.848 8.947 ( 4.727 8.466 -21.916) 23.965 9.278 ( -9.526 6.228 3.991) 12.061 9.531 ( -23.436 -7.977 -2.325) 24.865 9.705 ( -22.298 -6.336 7.588) 24.391 10.013 ( -18.501 -0.820 1.808) 18.607 10.121 ( -5.264 9.504 15.851) 19.217 10.612 ( -26.950 13.098 -1.008) 29.982 11.069 ( -6.307 -5.036 5.674) 9.866 11.462 ( -34.213 -0.587 2.211) 34.290 11.838 ( 5.677 -0.730 -6.309) 8.518 11.874 ( -8.612 10.570 -5.100) 14.557 12.491 ( 16.814 -10.459 -4.692) 20.350 12.678 ( 11.595 -10.208 -5.749) 16.483 13.318 ( 1.415 -5.924 6.328) 8.783 13.540 ( -13.280 -2.716 -0.022) 13.555 13.842 ( -4.648 -3.903 -1.747) 6.316 13.992 ( -0.134 -8.190 1.766) 8.379 14.420 ( 2.594 -1.461 1.950) 3.559 14.642 ( -0.862 -1.256 -2.661) 3.066 17.502 ( -21.207 -13.265 13.456) 28.403 18.650 ( -22.978 -17.363 -15.247) 32.588 20.802 ( -21.906 2.981 4.122) 22.489 21.128 ( -26.631 0.084 -4.339) 26.983 22.716 ( -5.797 2.142 5.962) 8.587 23.269 ( -1.218 4.405 -10.684) 11.620 23.755 ( 5.611 5.535 11.765) 14.161 24.317 ( 17.584 6.076 -5.003) 19.265 ======================= Grid point 256 (95/171) ======================= q-point: (-0.43 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -10.189 0.962 -1.065) 10.289 2.084 ( -8.887 -7.054 0.555) 11.360 2.254 ( -9.931 6.068 4.448) 12.459 2.533 ( -2.045 8.685 -6.462) 11.016 3.079 ( -0.746 -5.420 21.469) 22.155 3.333 ( -4.532 -2.455 7.886) 9.421 3.528 ( -7.764 13.190 5.243) 16.178 4.047 ( -1.166 -6.711 -6.481) 9.402 4.049 ( -1.960 -5.406 -4.749) 7.458 4.291 ( -5.801 6.999 -11.923) 14.993 4.587 ( -4.322 -0.027 2.227) 4.862 5.045 ( -3.597 -5.022 0.504) 6.198 5.784 ( -10.568 -4.498 7.416) 13.671 6.150 ( -10.055 -7.871 0.211) 12.771 6.513 ( -17.369 -11.194 14.239) 25.094 6.720 ( -22.384 -9.086 1.951) 24.237 7.373 ( -15.441 17.179 -1.627) 23.156 7.450 ( -15.644 12.183 -9.244) 21.877 7.745 ( -7.777 2.822 0.191) 8.275 7.963 ( 5.402 8.310 6.152) 11.665 8.238 ( -29.632 13.788 -8.548) 33.782 8.907 ( -6.111 2.443 -3.370) 7.394 8.957 ( -30.030 7.323 -0.146) 30.911 9.132 ( -24.120 -2.855 -6.269) 25.084 9.360 ( 2.805 2.521 4.139) 5.599 9.656 ( -21.045 1.747 3.118) 21.346 9.796 ( -34.114 2.190 0.585) 34.190 10.124 ( 0.038 -5.136 -4.648) 6.927 10.790 ( 2.871 23.318 11.533) 26.172 11.422 ( 6.435 -10.188 -0.284) 12.053 11.713 ( 7.523 20.801 -2.519) 22.263 12.060 ( 9.039 -5.055 -4.007) 11.105 12.841 ( 9.518 -11.952 -2.934) 15.558 12.962 ( 7.125 -8.114 -1.242) 10.870 13.205 ( -14.883 -3.058 -0.992) 15.226 13.473 ( 0.815 -9.996 -9.281) 13.664 13.916 ( 9.731 -12.504 11.100) 19.345 14.071 ( 4.926 0.555 6.130) 7.884 14.599 ( 8.254 0.806 -3.330) 8.937 14.669 ( 5.409 -13.126 -4.148) 14.791 17.139 ( -28.334 -20.095 14.430) 37.614 18.302 ( -28.776 -26.153 -14.560) 41.521 20.199 ( -38.011 3.983 2.845) 38.325 20.468 ( -42.367 -2.172 -3.921) 42.604 22.588 ( -5.030 3.975 6.614) 9.212 23.183 ( -3.190 7.819 -10.878) 13.771 23.804 ( 4.613 7.932 13.758) 16.537 24.600 ( 16.975 8.138 -8.489) 20.651 ======================= Grid point 257 (96/171) ======================= q-point: (-0.36 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -9.944 11.155 -2.366) 15.130 1.967 ( -10.120 10.459 -2.042) 14.696 2.028 ( -5.489 0.823 2.275) 5.999 2.480 ( 1.357 2.155 -11.295) 11.579 3.145 ( 3.898 0.543 19.205) 19.604 3.243 ( -3.238 5.273 7.822) 9.974 3.334 ( -3.990 -1.732 11.107) 11.928 3.850 ( -14.119 11.430 -5.663) 19.028 3.940 ( -15.496 5.831 -1.300) 16.608 4.234 ( 2.867 -12.553 -9.462) 15.979 4.564 ( -6.171 -17.025 3.068) 18.367 4.841 ( -23.331 4.137 5.755) 24.384 5.426 ( -19.639 3.516 0.928) 19.973 5.905 ( -22.482 -1.150 4.805) 23.019 6.072 ( -23.693 -10.730 20.624) 33.194 6.538 ( -22.728 -21.164 -6.707) 31.772 6.836 ( -25.255 -0.439 -4.645) 25.683 6.978 ( -24.423 -8.001 2.288) 25.802 7.576 ( -3.904 12.524 -3.571) 13.595 7.707 ( -4.594 14.801 -1.589) 15.578 8.141 ( -1.991 15.808 5.503) 16.857 8.293 ( -20.793 12.107 2.724) 24.215 8.478 ( -19.185 4.162 -0.490) 19.638 8.893 ( -11.525 5.419 -8.080) 15.083 9.256 ( -11.788 -3.057 3.777) 12.750 9.429 ( 13.746 -0.931 9.745) 16.875 9.641 ( 8.257 0.977 -9.396) 12.546 10.337 ( 15.439 -3.149 -12.078) 19.853 10.841 ( 15.330 24.321 10.668) 30.664 11.505 ( 5.069 16.644 -9.737) 19.938 11.833 ( 6.283 -3.893 7.551) 10.566 12.256 ( 7.224 -6.339 -3.667) 10.286 12.831 ( -19.572 -7.611 -1.586) 21.060 12.996 ( -5.380 -21.474 -4.687) 22.628 13.172 ( 7.850 -1.816 2.966) 8.586 13.598 ( 8.031 0.731 -6.632) 10.441 14.052 ( -1.062 -1.789 9.956) 10.171 14.489 ( 24.213 -7.482 -0.093) 25.342 14.635 ( 7.895 -4.846 1.085) 9.327 15.105 ( 20.786 -19.205 -6.188) 28.968 16.699 ( -32.454 -24.178 15.932) 43.493 17.906 ( -32.530 -30.627 -14.425) 46.950 19.293 ( -51.238 4.513 2.487) 51.497 19.530 ( -55.658 -3.566 -3.508) 55.883 22.463 ( -3.825 7.949 7.095) 11.321 23.046 ( -3.574 11.216 -8.962) 14.795 23.828 ( 4.167 9.490 13.469) 16.995 24.860 ( 16.019 9.331 -13.648) 23.021 ======================= Grid point 258 (97/171) ======================= q-point: (-0.29 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -9.163 16.447 3.458) 19.142 1.613 ( -11.195 22.465 0.906) 25.116 1.961 ( -2.638 0.408 -4.393) 5.141 2.523 ( 2.972 1.198 -23.314) 23.533 3.028 ( 0.732 22.449 9.076) 24.225 3.247 ( -10.018 5.107 9.473) 14.703 3.417 ( 7.655 -6.068 15.440) 18.270 3.483 ( -2.775 7.802 5.379) 9.875 3.669 ( -14.040 -3.443 -0.850) 14.481 3.993 ( -28.755 17.557 13.231) 36.196 4.449 ( -5.284 -10.428 0.676) 11.709 4.602 ( -1.536 -14.872 -5.939) 16.088 5.117 ( -17.259 -11.556 9.444) 22.817 5.528 ( -10.735 -9.448 9.359) 17.090 5.773 ( -19.215 -12.491 6.003) 23.691 5.912 ( -38.530 -12.981 -4.537) 40.910 6.410 ( -16.225 1.373 -3.168) 16.588 6.998 ( 4.277 -22.879 3.376) 23.519 7.461 ( 0.786 17.997 6.112) 19.023 7.588 ( 2.013 10.111 -1.317) 10.393 7.927 ( -3.514 5.694 0.521) 6.712 8.038 ( -4.105 3.693 2.382) 6.013 8.240 ( -6.848 5.975 3.466) 9.726 8.619 ( -8.471 8.793 -1.736) 12.333 9.180 ( -0.245 -2.125 6.447) 6.793 9.771 ( 8.045 -1.290 -2.574) 8.545 9.982 ( 34.360 4.062 -3.345) 34.761 10.684 ( 18.235 3.302 -11.286) 21.698 10.963 ( 11.115 16.093 6.969) 20.763 11.423 ( -4.313 10.136 -0.982) 11.059 11.883 ( -3.643 -4.717 -5.939) 8.414 12.230 ( -18.426 -1.575 -13.114) 22.671 12.727 ( 7.357 -15.506 8.338) 19.080 13.104 ( 2.003 -20.055 -4.823) 20.724 13.294 ( 2.012 -2.454 7.605) 8.241 13.775 ( 13.008 3.788 -1.494) 13.631 14.011 ( -4.083 -2.669 6.594) 8.202 14.479 ( -10.240 -2.513 -6.949) 12.628 15.369 ( 38.280 -10.610 4.468) 39.974 15.595 ( 11.543 -12.885 -3.984) 17.752 16.282 ( -24.525 -22.066 16.372) 36.830 17.509 ( -23.997 -23.147 -13.847) 36.102 18.246 ( -50.186 2.253 2.608) 50.304 18.459 ( -52.840 -4.342 -2.928) 53.099 22.320 ( -2.617 15.260 8.227) 17.533 22.907 ( -2.086 11.393 -6.846) 13.454 23.826 ( 2.699 10.685 11.564) 15.975 25.072 ( 11.870 9.557 -21.310) 26.199 ======================= Grid point 259 (98/171) ======================= q-point: (-0.21 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 0.000 17.595 11.128) 20.819 1.305 ( 0.000 27.401 0.191) 27.402 1.921 ( 0.000 1.628 -8.200) 8.360 2.542 ( 0.000 4.396 -29.757) 30.080 2.905 ( 0.000 34.603 27.225) 44.029 2.983 ( 0.000 10.057 5.277) 11.357 3.282 ( 0.000 13.159 -2.249) 13.350 3.550 ( 0.000 0.953 -0.708) 1.187 3.573 ( -0.000 -0.638 -0.360) 0.732 3.682 ( -0.000 -6.957 24.238) 25.217 4.477 ( -0.000 -16.939 8.628) 19.009 4.654 ( -0.000 -3.331 -9.371) 9.946 5.097 ( -0.000 -20.406 22.644) 30.482 5.538 ( -0.000 -10.847 -2.777) 11.197 5.570 ( -0.000 -12.532 0.669) 12.550 5.627 ( -0.000 -14.449 -0.710) 14.466 6.266 ( -0.000 -4.647 6.425) 7.929 7.226 ( -0.000 -15.690 1.308) 15.745 7.330 ( 0.000 15.176 8.053) 17.181 7.602 ( 0.000 4.849 0.962) 4.944 7.882 ( 0.000 0.803 0.895) 1.203 7.955 ( -0.000 -0.047 -0.871) 0.872 8.150 ( 0.000 5.632 7.634) 9.487 8.485 ( 0.000 7.249 2.637) 7.713 9.209 ( -0.000 -3.670 6.391) 7.370 9.862 ( 0.000 0.650 -6.004) 6.039 10.520 ( -0.000 -7.515 -1.556) 7.675 10.818 ( 0.000 20.304 1.098) 20.334 11.037 ( 0.000 1.258 -0.361) 1.309 11.215 ( 0.000 3.636 5.993) 7.009 11.854 ( -0.000 -1.019 -17.050) 17.081 11.948 ( 0.000 0.409 -15.101) 15.107 12.999 ( -0.000 -15.189 3.132) 15.508 13.276 ( 0.000 0.921 16.934) 16.959 13.317 ( -0.000 -23.181 -4.218) 23.562 13.984 ( -0.000 -6.002 3.957) 7.189 14.103 ( -0.000 -4.923 1.624) 5.183 14.185 ( 0.000 0.246 -8.456) 8.460 15.590 ( 0.000 10.298 2.553) 10.610 15.903 ( -0.000 -9.489 10.212) 13.940 16.148 ( -0.000 -14.628 10.899) 18.242 17.584 ( -0.000 -27.707 -14.217) 31.142 17.633 ( -0.000 -0.753 2.146) 2.274 17.794 ( -0.000 -0.561 -1.759) 1.846 22.155 ( 0.000 22.967 10.348) 25.190 22.816 ( 0.000 8.584 -5.868) 10.398 23.774 ( 0.000 11.813 8.620) 14.624 25.130 ( 0.000 11.927 -30.318) 32.580 ======================= Grid point 266 (99/171) ======================= q-point: (-0.71 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( -6.438 -0.000 2.373) 6.862 2.493 ( 4.568 0.000 -0.943) 4.664 2.749 ( -4.345 -0.000 -7.554) 8.715 2.829 ( -2.392 -0.000 -6.508) 6.934 3.192 ( -10.722 -0.000 8.067) 13.418 3.455 ( 1.363 0.000 -2.017) 2.435 3.580 ( 4.089 0.000 10.082) 10.880 4.189 ( 1.504 0.000 -1.433) 2.078 4.278 ( -5.659 -0.000 -0.361) 5.671 4.363 ( -2.344 -0.000 -2.811) 3.660 4.512 ( 1.932 0.000 1.032) 2.190 4.769 ( -2.317 -0.000 -3.073) 3.849 5.970 ( -9.406 -0.000 4.704) 10.517 6.393 ( 0.638 0.000 -13.688) 13.703 6.717 ( -17.493 -0.000 9.865) 20.083 7.150 ( 0.010 0.000 22.773) 22.773 7.633 ( -3.963 -0.000 -20.458) 20.839 8.070 ( 12.002 0.000 1.815) 12.138 8.378 ( -0.346 -0.000 6.296) 6.306 8.644 ( 25.694 0.000 -12.890) 28.746 8.906 ( -7.778 -0.000 -7.511) 10.812 9.249 ( -20.162 -0.000 -3.672) 20.493 9.669 ( -6.768 -0.000 9.901) 11.993 9.676 ( -1.688 -0.000 0.659) 1.812 10.194 ( -3.917 -0.000 3.479) 5.239 10.288 ( 7.538 0.000 7.248) 10.458 10.713 ( -15.593 -0.000 8.150) 17.594 10.740 ( 22.114 0.000 6.075) 22.933 11.413 ( -3.912 -0.000 -7.145) 8.146 11.472 ( 14.677 0.000 -7.184) 16.341 12.129 ( -15.030 -0.000 1.182) 15.076 12.325 ( -21.082 -0.000 -2.126) 21.189 12.794 ( -7.422 -0.000 -6.239) 9.696 12.985 ( -16.113 -0.000 -3.747) 16.543 13.267 ( -4.302 -0.000 12.948) 13.643 13.812 ( -7.414 -0.000 -8.079) 10.965 14.140 ( -11.416 -0.000 3.872) 12.055 14.302 ( -7.043 -0.000 -1.806) 7.271 14.620 ( -6.716 -0.000 1.822) 6.959 14.778 ( -10.095 -0.000 -2.023) 10.296 17.989 ( -12.572 -0.000 12.996) 18.082 19.189 ( -15.459 -0.000 -17.561) 23.396 21.251 ( -2.961 -0.000 7.245) 7.827 21.706 ( -5.526 -0.000 -5.224) 7.605 22.927 ( -3.694 -0.000 3.995) 5.441 23.218 ( 7.506 0.000 -2.830) 8.022 23.545 ( 6.010 0.000 1.948) 6.318 23.658 ( 19.283 0.000 -0.677) 19.295 ======================= Grid point 268 (100/171) ======================= q-point: (-0.64 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -18.514 -5.233 10.231) 21.790 2.486 ( -5.420 -0.317 0.347) 5.440 2.757 ( 1.881 4.916 -4.195) 6.730 2.787 ( -3.184 2.052 -2.974) 4.816 2.989 ( -8.693 -5.362 9.632) 14.039 3.454 ( -0.927 1.202 -2.220) 2.689 3.662 ( 3.578 -0.206 7.683) 8.478 4.146 ( -6.892 0.967 0.737) 6.999 4.203 ( -0.470 1.393 -4.418) 4.657 4.240 ( -4.657 -1.946 3.697) 6.257 4.717 ( 11.649 4.138 -7.697) 14.562 4.789 ( 5.524 -4.283 -4.865) 8.516 5.809 ( -6.108 0.901 6.733) 9.135 6.227 ( -16.348 -5.928 -7.588) 18.974 6.580 ( -0.724 -2.139 6.574) 6.951 7.224 ( 9.110 3.585 18.661) 21.074 7.479 ( -12.737 -1.105 -20.321) 24.008 8.139 ( -11.380 2.286 5.754) 12.955 8.370 ( 4.702 -2.317 10.710) 11.924 8.688 ( -23.390 5.236 -9.045) 25.619 8.811 ( -0.583 -1.629 -20.718) 20.791 9.020 ( 5.095 0.411 -10.983) 12.115 9.591 ( -4.146 4.823 7.449) 9.795 9.650 ( -1.452 -2.620 12.809) 13.154 10.049 ( -9.088 6.283 3.619) 11.626 10.222 ( -17.769 -5.118 0.412) 18.496 10.514 ( -5.869 5.464 16.249) 18.119 11.006 ( -0.636 -1.745 0.908) 2.067 11.282 ( -9.199 10.349 -3.069) 14.183 11.694 ( 3.834 2.837 -11.361) 12.322 11.936 ( -12.281 -11.377 0.862) 16.763 12.005 ( 4.259 -8.744 0.712) 9.752 12.427 ( -37.838 2.160 -0.494) 37.903 12.592 ( -11.109 0.588 -12.147) 16.471 13.231 ( 0.742 -0.719 13.122) 13.163 13.702 ( -5.575 -1.358 -4.642) 7.380 13.930 ( -8.284 0.032 0.605) 8.306 14.044 ( -17.169 -0.755 -2.086) 17.312 14.480 ( -6.221 0.440 2.769) 6.823 14.650 ( -3.157 -0.737 -1.709) 3.665 17.714 ( -16.969 -2.438 13.002) 21.516 18.861 ( -19.810 -3.200 -15.779) 25.527 21.138 ( -9.323 0.907 5.477) 10.851 21.530 ( -13.479 0.776 -4.860) 14.349 22.844 ( -4.828 0.354 5.027) 6.979 23.308 ( 2.395 0.698 -8.516) 8.874 23.685 ( 7.902 0.907 8.241) 11.453 24.031 ( 19.164 0.999 -2.487) 19.350 ======================= Grid point 269 (101/171) ======================= q-point: (-0.57 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -15.927 -12.413 17.291) 26.585 2.313 ( -11.108 1.359 -0.534) 11.204 2.572 ( -11.539 6.092 3.125) 13.417 2.745 ( 0.966 6.516 -5.536) 8.604 2.993 ( 0.661 -5.060 13.557) 14.485 3.406 ( -3.051 1.728 0.609) 3.559 3.713 ( 1.179 -2.317 0.975) 2.777 4.000 ( -6.704 3.304 -0.237) 7.478 4.143 ( -4.386 1.310 -5.610) 7.241 4.234 ( 0.473 -4.376 4.597) 6.364 4.832 ( 6.436 7.279 -7.179) 12.080 4.993 ( 8.348 2.133 -5.303) 10.117 5.721 ( -4.994 -4.805 5.316) 8.734 5.995 ( -14.442 -16.535 -7.502) 23.201 6.557 ( -4.879 -3.755 15.499) 16.677 7.112 ( -25.323 -3.100 -9.685) 27.288 7.492 ( 21.235 8.438 8.385) 24.340 7.828 ( -12.808 1.492 3.767) 13.433 8.165 ( -22.761 7.097 -3.440) 24.089 8.467 ( -2.028 6.610 1.231) 7.023 8.825 ( -8.732 8.325 -4.909) 13.025 9.029 ( 6.080 2.700 -20.515) 21.566 9.356 ( -19.401 2.658 1.553) 19.644 9.440 ( -26.540 -4.347 -0.321) 26.896 9.647 ( -24.213 -0.946 5.249) 24.794 9.934 ( -10.995 -5.942 -1.119) 12.548 10.316 ( -10.101 13.179 16.980) 23.750 10.763 ( -34.754 7.537 -0.404) 35.564 10.940 ( -3.604 -10.872 7.144) 13.499 11.482 ( -33.889 1.956 0.698) 33.952 11.843 ( 8.977 4.476 -3.584) 10.652 12.008 ( 3.971 3.942 -2.435) 6.102 12.356 ( 18.141 -7.717 -6.905) 20.889 12.569 ( 9.065 -4.718 -11.785) 15.599 13.271 ( 0.505 -0.561 10.785) 10.811 13.500 ( -15.731 -3.465 0.619) 16.120 13.757 ( -12.135 -6.909 -0.615) 13.977 13.920 ( 4.589 -2.097 -2.435) 5.602 14.410 ( -0.375 -0.091 3.180) 3.203 14.628 ( -0.337 -0.747 -2.472) 2.604 17.356 ( -23.625 -7.167 13.355) 28.069 18.461 ( -26.073 -9.331 -14.063) 31.058 20.839 ( -21.488 1.966 3.280) 21.825 21.137 ( -27.243 0.738 -4.258) 27.584 22.737 ( -5.570 0.917 5.977) 8.222 23.316 ( -0.299 2.177 -11.838) 12.040 23.814 ( 6.465 2.824 12.732) 14.556 24.376 ( 17.712 2.610 -4.625) 18.491 ======================= Grid point 270 (102/171) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -4.805 -14.382 13.633) 20.391 2.079 ( -10.566 2.623 -2.116) 11.091 2.329 ( -9.172 5.052 6.107) 12.122 2.704 ( 1.301 12.278 -6.130) 13.784 3.011 ( -1.419 -3.040 16.129) 16.474 3.316 ( -4.753 0.311 5.144) 7.010 3.719 ( -2.507 8.894 6.806) 11.476 3.875 ( -3.297 -8.832 -11.668) 15.001 4.034 ( -7.155 -1.131 -3.546) 8.065 4.269 ( -1.476 -5.938 1.090) 6.215 4.769 ( -6.733 20.202 -7.405) 22.545 4.993 ( -5.841 -0.875 -2.356) 6.359 5.665 ( -8.145 -11.027 3.733) 14.208 5.913 ( -9.683 -23.492 -5.986) 26.104 6.429 ( -12.343 -2.131 20.403) 23.941 6.605 ( -26.917 -6.806 8.057) 28.910 7.560 ( -26.399 4.644 -5.858) 27.437 7.601 ( -19.564 10.587 -6.963) 23.309 7.833 ( -18.052 12.178 4.552) 22.247 8.081 ( 14.924 7.486 5.117) 17.463 8.454 ( -24.911 15.396 -11.273) 31.380 8.891 ( -11.908 -4.561 2.401) 12.976 8.991 ( -23.356 -6.281 -2.434) 24.308 9.121 ( -11.141 5.382 -4.158) 13.053 9.408 ( 3.416 4.577 -4.262) 7.126 9.702 ( -27.048 3.309 0.931) 27.266 9.836 ( -31.836 3.483 2.507) 32.124 10.047 ( -9.873 -4.949 -1.143) 11.103 11.054 ( 6.957 4.796 8.221) 11.789 11.234 ( 8.562 -4.420 6.973) 11.894 12.007 ( 8.257 9.227 -6.229) 13.861 12.078 ( 11.566 14.596 -4.576) 19.177 12.699 ( 6.093 -5.174 -3.152) 8.593 12.881 ( 13.903 -4.753 -3.946) 15.214 13.155 ( -13.559 -5.110 -1.771) 14.598 13.311 ( -1.818 -11.822 -4.400) 12.745 13.755 ( 5.804 -10.497 10.126) 15.698 14.071 ( 8.784 -0.679 2.222) 9.086 14.488 ( 5.733 -8.326 -1.140) 10.173 14.640 ( 2.381 1.351 -3.498) 4.442 16.902 ( -30.290 -13.274 14.415) 36.076 17.995 ( -30.965 -17.071 -12.644) 37.551 20.252 ( -37.419 3.245 1.316) 37.582 20.456 ( -42.606 0.047 -3.572) 42.756 22.627 ( -4.581 1.763 6.597) 8.223 23.272 ( -1.626 4.753 -13.375) 14.288 23.897 ( 5.137 5.138 15.945) 17.522 24.682 ( 16.307 3.867 -7.306) 18.282 ======================= Grid point 271 (103/171) ======================= q-point: (-0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -5.768 3.719 -1.585) 7.044 1.944 ( -1.062 -5.223 -1.151) 5.452 2.145 ( -5.233 8.719 6.851) 12.261 2.615 ( 1.026 16.354 -6.089) 17.481 3.039 ( 1.597 -9.072 16.219) 18.653 3.257 ( -0.781 -1.138 9.015) 9.120 3.513 ( -5.381 17.240 6.648) 19.245 3.860 ( -11.490 -1.410 -2.534) 11.851 4.003 ( 3.001 -18.157 -8.319) 20.196 4.187 ( -11.868 14.324 -8.964) 20.649 4.379 ( -15.049 -3.592 3.206) 15.800 4.809 ( -17.040 -4.591 -1.604) 17.720 5.453 ( -21.341 -4.866 2.657) 22.049 5.850 ( -15.077 -18.922 0.523) 24.200 5.968 ( -29.625 6.365 18.500) 35.502 6.265 ( -22.125 -12.514 8.470) 26.793 6.846 ( -38.422 -7.579 3.474) 39.316 6.880 ( -28.098 2.884 2.763) 28.380 7.693 ( -0.512 4.714 -5.836) 7.519 7.950 ( -7.934 18.775 -12.545) 23.934 8.358 ( -9.071 13.213 0.549) 16.037 8.446 ( -22.047 8.596 1.269) 23.698 8.535 ( -13.847 4.904 2.104) 14.840 8.945 ( -8.566 1.041 -8.763) 12.298 9.232 ( -8.508 0.005 3.710) 9.281 9.411 ( 9.726 -1.003 13.011) 16.276 9.685 ( 10.600 5.523 -7.722) 14.229 10.235 ( 14.200 -9.734 -10.091) 19.956 11.160 ( 11.124 15.798 6.054) 20.248 11.520 ( 11.098 -8.853 -0.724) 14.215 11.971 ( -2.782 20.243 1.710) 20.505 12.212 ( 7.575 0.771 -1.889) 7.845 12.696 ( -8.109 -14.378 -3.023) 16.782 12.785 ( -18.243 -5.060 -5.840) 19.813 13.149 ( 8.486 -1.268 1.933) 8.795 13.597 ( 14.739 -1.518 -8.529) 17.097 13.992 ( 4.065 -7.170 10.913) 13.676 14.384 ( 29.316 -4.627 2.845) 29.815 14.572 ( -3.260 -6.782 -3.271) 8.205 14.902 ( 22.789 -8.759 -5.387) 25.002 16.401 ( -31.429 -17.883 16.582) 39.781 17.534 ( -29.776 -22.026 -11.753) 38.858 19.357 ( -51.286 4.247 0.360) 51.463 19.505 ( -54.683 -0.440 -2.998) 54.767 22.537 ( -2.926 3.286 6.719) 8.031 23.189 ( -1.995 8.528 -12.960) 15.642 23.945 ( 4.294 7.054 17.468) 19.322 24.952 ( 14.288 4.285 -10.742) 18.382 ======================= Grid point 272 (104/171) ======================= q-point: (-0.36 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -8.662 10.390 2.866) 13.827 1.921 ( -3.543 15.255 -3.786) 16.113 1.972 ( -2.865 6.187 -1.487) 6.979 2.587 ( 4.896 9.173 -14.055) 17.483 3.180 ( 1.949 -10.941 16.774) 20.121 3.262 ( -2.576 5.508 5.844) 8.434 3.397 ( 6.722 7.341 10.390) 14.388 3.631 ( -10.142 1.255 1.385) 10.313 3.714 ( -9.518 20.733 0.551) 22.820 4.111 ( -12.184 -6.601 -3.021) 14.183 4.346 ( -12.367 -5.170 2.392) 13.616 4.398 ( -4.956 -10.682 -2.440) 12.026 5.003 ( -25.292 -5.499 10.827) 28.057 5.422 ( -17.401 -4.543 15.879) 23.991 5.608 ( -18.340 -8.420 1.066) 20.209 5.715 ( -37.819 -15.059 -3.862) 40.890 6.458 ( -11.575 2.012 2.046) 11.926 6.641 ( -3.703 -24.453 10.887) 27.022 7.669 ( 3.596 8.658 -3.815) 10.121 7.754 ( -1.662 16.285 -4.522) 16.983 7.991 ( -10.056 3.611 0.347) 10.690 8.080 ( -11.095 1.918 -0.969) 11.301 8.380 ( -3.080 12.381 1.819) 12.888 8.738 ( -6.949 6.782 -6.641) 11.764 9.182 ( 0.913 3.272 12.390) 12.847 9.728 ( 9.123 -4.690 -0.123) 10.259 10.031 ( 29.985 3.552 -5.001) 30.606 10.614 ( 16.658 -8.718 -12.047) 22.330 11.237 ( 8.015 16.667 4.443) 19.020 11.566 ( -13.992 9.150 0.733) 16.734 11.792 ( -0.470 -7.910 -2.953) 8.456 12.224 ( -17.260 0.762 -12.139) 21.115 12.519 ( 4.297 -11.734 4.415) 13.253 12.840 ( 3.467 -15.929 -4.831) 17.003 13.276 ( 3.264 -0.413 9.074) 9.652 13.832 ( 12.824 4.165 -3.440) 13.916 13.994 ( -3.562 -0.445 5.144) 6.273 14.429 ( -12.261 -4.509 -6.818) 14.736 15.244 ( 43.474 -6.798 1.779) 44.038 15.476 ( 26.456 -5.191 -3.875) 27.238 16.005 ( -19.786 -17.548 17.814) 31.886 17.199 ( -18.094 -20.233 -11.447) 29.459 18.287 ( -52.697 3.051 0.713) 52.790 18.427 ( -52.892 -0.722 -2.443) 52.953 22.463 ( -1.511 6.121 6.717) 9.213 23.081 ( -1.426 12.104 -11.004) 16.420 23.960 ( 2.710 8.389 17.064) 19.207 25.160 ( 9.521 3.785 -15.046) 18.203 ======================= Grid point 273 (105/171) ======================= q-point: (-0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 0.000 13.805 8.128) 16.020 1.693 ( 0.000 27.327 -3.293) 27.525 1.939 ( 0.000 0.962 -5.553) 5.635 2.598 ( 0.000 6.425 -24.203) 25.041 3.106 ( 0.000 6.871 4.543) 8.237 3.239 ( 0.000 4.891 20.979) 21.542 3.433 ( 0.000 0.317 -3.722) 3.735 3.552 ( 0.000 11.848 1.479) 11.940 3.682 ( 0.000 11.853 -1.027) 11.897 3.683 ( 0.000 9.884 21.264) 23.449 4.267 ( -0.000 -11.096 5.918) 12.576 4.539 ( -0.000 -11.926 -1.410) 12.009 4.822 ( -0.000 -18.109 20.304) 27.206 5.372 ( -0.000 -15.501 0.154) 15.502 5.397 ( -0.000 -18.139 -0.423) 18.144 5.413 ( -0.000 -4.512 4.067) 6.074 6.310 ( 0.000 7.082 -0.913) 7.140 6.842 ( -0.000 -31.450 7.251) 32.275 7.606 ( 0.000 19.369 3.553) 19.692 7.692 ( 0.000 6.175 -3.464) 7.081 7.893 ( 0.000 0.746 0.720) 1.037 7.955 ( -0.000 -0.039 -0.765) 0.766 8.271 ( 0.000 10.995 2.346) 11.242 8.612 ( 0.000 9.462 -3.508) 10.092 9.182 ( 0.000 0.358 11.483) 11.488 9.845 ( -0.000 -3.166 -3.596) 4.791 10.440 ( -0.000 -3.544 -4.532) 5.753 10.891 ( -0.000 -5.831 -10.637) 12.130 11.207 ( 0.000 17.948 5.062) 18.649 11.267 ( 0.000 3.648 5.531) 6.626 11.837 ( -0.000 -2.439 -11.615) 11.868 11.953 ( 0.000 0.320 -14.188) 14.192 12.742 ( -0.000 -18.603 2.803) 18.813 13.012 ( -0.000 -19.070 -4.218) 19.531 13.289 ( 0.000 0.929 16.466) 16.492 13.943 ( -0.000 -0.366 1.910) 1.945 14.068 ( -0.000 -1.136 -0.894) 1.446 14.189 ( 0.000 0.243 -8.442) 8.446 15.715 ( 0.000 3.759 6.305) 7.340 15.780 ( -0.000 -5.266 10.112) 11.401 15.997 ( -0.000 -6.866 0.904) 6.926 17.218 ( -0.000 -23.869 -12.642) 27.010 17.622 ( -0.000 -0.757 2.183) 2.311 17.786 ( -0.000 -0.561 -1.790) 1.876 22.389 ( 0.000 10.645 7.150) 12.824 22.975 ( 0.000 13.195 -8.638) 15.771 23.925 ( 0.000 9.561 14.945) 17.742 25.234 ( 0.000 4.188 -19.500) 19.945 ======================= Grid point 282 (106/171) ======================= q-point: (-0.64 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -16.492 -0.000 21.994) 27.490 2.322 ( -10.646 -0.000 -0.634) 10.665 2.623 ( -13.176 -0.000 3.581) 13.654 2.795 ( 0.373 0.000 -6.406) 6.417 2.950 ( 4.725 0.000 12.897) 13.735 3.422 ( -2.913 -0.000 -2.691) 3.966 3.687 ( -1.698 -0.000 -1.508) 2.271 4.035 ( -4.159 -0.000 5.774) 7.116 4.152 ( -5.782 -0.000 -5.744) 8.150 4.199 ( 0.226 0.000 4.669) 4.674 4.871 ( 7.007 0.000 -4.000) 8.069 5.030 ( 14.184 0.000 -9.586) 17.119 5.698 ( -6.587 -0.000 5.276) 8.439 5.853 ( -19.022 -0.000 -9.638) 21.324 6.529 ( -4.849 -0.000 17.713) 18.365 7.089 ( -26.684 -0.000 -9.482) 28.319 7.553 ( 22.653 0.000 7.508) 23.865 7.838 ( -13.100 -0.000 4.640) 13.898 8.214 ( -24.215 -0.000 -3.961) 24.536 8.503 ( 5.525 0.000 3.569) 6.578 8.925 ( 1.970 0.000 -16.639) 16.755 9.028 ( -5.245 -0.000 -7.977) 9.547 9.356 ( -26.153 -0.000 -3.215) 26.350 9.412 ( -28.158 -0.000 3.379) 28.360 9.656 ( -20.888 -0.000 3.447) 21.170 9.887 ( -9.290 -0.000 -0.902) 9.334 10.426 ( -11.598 -0.000 15.181) 19.104 10.798 ( -23.068 -0.000 3.346) 23.309 10.860 ( -21.862 -0.000 5.047) 22.437 11.495 ( -28.681 -0.000 -1.353) 28.713 11.923 ( 10.260 0.000 2.512) 10.563 11.989 ( 9.758 0.000 -4.343) 10.681 12.299 ( 18.851 0.000 -5.065) 19.520 12.542 ( 7.385 0.000 -17.911) 19.374 13.281 ( 2.823 0.000 12.835) 13.142 13.460 ( -18.840 -0.000 1.067) 18.870 13.703 ( -15.032 -0.000 -0.009) 15.032 13.908 ( 4.872 0.000 -4.230) 6.452 14.411 ( -1.313 -0.000 3.502) 3.740 14.622 ( 0.087 0.000 -2.379) 2.381 17.305 ( -24.476 -0.000 13.310) 27.861 18.394 ( -27.150 -0.000 -13.688) 30.406 20.853 ( -21.358 -0.000 3.038) 21.573 21.143 ( -27.453 -0.000 -4.237) 27.778 22.743 ( -5.518 -0.000 5.997) 8.149 23.331 ( -0.002 -0.000 -12.200) 12.200 23.834 ( 6.787 0.000 12.993) 14.659 24.394 ( 17.736 0.000 -4.484) 18.294 ======================= Grid point 284 (107/171) ======================= q-point: (-0.57 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -2.096 -6.436 23.819) 24.762 2.106 ( -10.721 0.964 -2.355) 11.018 2.388 ( -9.191 2.617 8.555) 12.826 2.800 ( 1.051 1.422 -5.585) 5.859 3.027 ( 3.141 3.799 16.089) 16.827 3.337 ( -4.929 2.117 -2.057) 5.745 3.642 ( -3.739 -8.582 -11.068) 14.496 3.935 ( -6.066 7.705 4.075) 10.619 4.010 ( -7.970 -2.835 -1.277) 8.555 4.201 ( -1.947 -2.766 3.600) 4.940 4.960 ( 0.815 3.452 -2.152) 4.149 5.126 ( -5.046 19.933 -9.870) 22.808 5.516 ( -11.917 -10.388 -4.309) 16.386 5.573 ( -15.595 -19.632 -4.367) 25.450 6.415 ( -6.848 -0.301 24.219) 25.170 6.537 ( -28.311 -2.608 10.270) 30.229 7.593 ( -35.194 0.838 -4.023) 35.433 7.669 ( -8.824 1.455 -6.606) 11.118 8.037 ( -41.138 11.476 4.746) 42.972 8.153 ( 22.926 2.201 1.825) 23.104 8.646 ( -15.829 11.777 -6.612) 20.808 8.791 ( -14.347 -8.797 -0.755) 16.846 8.881 ( -13.814 -6.345 -3.207) 15.536 9.197 ( -14.615 3.358 -2.405) 15.188 9.478 ( 4.472 4.034 -9.802) 11.504 9.709 ( -22.040 -1.692 -2.627) 22.261 9.896 ( -26.714 3.920 5.977) 27.653 10.004 ( -26.464 -1.273 1.558) 26.541 10.920 ( 7.066 -9.205 10.087) 15.376 11.334 ( 9.744 6.031 3.904) 12.106 12.100 ( 10.386 6.326 -0.898) 12.194 12.237 ( 12.493 3.154 -4.218) 13.558 12.739 ( 17.281 8.192 -8.649) 20.989 12.821 ( 20.983 -2.835 -7.504) 22.465 13.044 ( -19.291 -8.784 -0.335) 21.199 13.194 ( -13.653 -4.256 -1.307) 14.360 13.634 ( 7.190 -5.407 11.450) 14.562 14.058 ( 9.931 -0.691 -1.732) 10.104 14.418 ( 1.077 -2.088 2.047) 3.116 14.653 ( 3.698 0.443 -3.560) 5.153 16.774 ( -31.357 -4.675 14.357) 34.803 17.831 ( -32.029 -5.947 -11.815) 34.653 20.285 ( -37.181 1.220 0.718) 37.208 20.460 ( -42.772 0.234 -3.403) 42.907 22.642 ( -4.464 0.503 6.691) 8.059 23.316 ( -0.866 1.540 -14.529) 14.636 23.946 ( 5.496 1.784 16.749) 17.718 24.716 ( 15.930 1.121 -6.694) 17.315 ======================= Grid point 285 (108/171) ======================= q-point: (-0.50 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 8.133 -3.982 6.368) 11.071 1.913 ( -7.446 0.472 -1.781) 7.671 2.249 ( -1.461 6.054 14.205) 15.510 2.829 ( 3.907 4.775 -4.298) 7.519 2.985 ( -2.045 9.251 8.270) 12.576 3.253 ( -0.749 0.336 6.579) 6.630 3.682 ( -5.766 -0.651 -0.611) 5.834 3.724 ( -6.130 -12.347 -10.324) 17.222 3.877 ( -6.264 1.993 3.220) 7.320 4.161 ( -4.600 -6.427 2.514) 8.294 4.612 ( -24.996 23.533 -7.516) 35.144 4.797 ( -14.287 5.063 -3.432) 15.541 5.312 ( -20.115 -12.276 -0.704) 23.575 5.489 ( -15.692 -29.302 -4.721) 33.573 6.023 ( -25.713 -0.017 19.565) 32.310 6.243 ( -15.232 5.221 18.529) 24.548 6.732 ( -46.491 -6.667 6.993) 47.485 6.953 ( -37.197 5.426 5.223) 37.951 7.737 ( 0.682 2.005 -6.735) 7.060 8.181 ( -8.956 12.420 -18.155) 23.750 8.483 ( -25.369 3.582 -0.555) 25.627 8.504 ( -23.906 2.430 -1.317) 24.065 8.653 ( 1.077 10.499 0.638) 10.573 8.913 ( -5.320 -5.246 -7.659) 10.699 9.230 ( 2.015 -1.217 2.738) 3.611 9.433 ( -0.768 4.096 10.946) 11.713 9.788 ( 9.742 8.543 -2.757) 13.248 10.089 ( 14.744 -10.251 -8.047) 19.678 11.140 ( 6.485 -12.124 6.853) 15.362 11.534 ( 13.070 7.087 -1.619) 14.956 12.223 ( 0.216 11.440 -0.936) 11.480 12.291 ( -6.938 10.894 1.561) 13.010 12.528 ( -3.307 -8.424 -1.958) 9.259 12.754 ( -22.522 -0.924 -6.003) 23.326 13.143 ( 10.958 0.555 -0.984) 11.016 13.539 ( 26.630 -6.633 -9.783) 29.135 13.890 ( 10.861 -5.261 10.498) 15.995 14.349 ( 21.761 -2.224 -0.114) 21.875 14.463 ( 1.223 -6.091 0.420) 6.227 14.842 ( 19.474 -1.339 -5.398) 20.253 16.204 ( -30.978 -9.804 16.980) 36.661 17.295 ( -28.126 -11.719 -10.558) 32.247 19.405 ( -51.475 2.440 -0.513) 51.535 19.507 ( -54.353 0.325 -2.669) 54.419 22.567 ( -2.699 1.216 6.891) 7.500 23.278 ( -0.911 4.159 -15.511) 16.085 24.022 ( 4.441 3.851 19.392) 20.263 24.992 ( 13.280 1.632 -9.137) 16.202 ======================= Grid point 286 (109/171) ======================= q-point: (-0.43 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -7.167 5.832 1.958) 9.445 1.941 ( 1.163 -1.018 -3.462) 3.791 2.213 ( 2.015 16.473 5.355) 17.438 2.794 ( 3.876 19.737 -7.601) 21.502 3.010 ( 3.133 -12.074 11.799) 17.170 3.280 ( -0.751 0.250 6.507) 6.555 3.458 ( -9.146 0.223 0.191) 9.151 3.721 ( -0.742 5.031 3.167) 5.991 3.901 ( 0.006 -13.565 2.751) 13.841 4.036 ( -10.858 18.776 -8.086) 23.148 4.197 ( 5.397 -7.885 -0.215) 9.558 4.373 ( -23.914 2.744 -0.756) 24.083 4.920 ( -26.368 -7.670 3.432) 27.674 5.248 ( -25.193 -20.049 6.340) 32.815 5.516 ( -33.201 -8.531 4.880) 34.626 5.674 ( -20.160 9.361 2.615) 22.380 6.282 ( -10.843 -16.415 23.444) 30.605 6.515 ( -10.777 -1.415 10.075) 14.821 7.748 ( 2.403 3.849 -6.660) 8.059 7.985 ( -2.407 12.855 -12.255) 17.923 8.032 ( -13.468 2.336 0.738) 13.689 8.109 ( -12.376 3.855 -1.935) 13.106 8.543 ( -3.740 9.949 -3.277) 11.122 8.782 ( -5.515 -0.406 -9.683) 11.150 9.284 ( 1.597 10.392 15.343) 18.600 9.650 ( 9.682 -5.892 1.202) 11.397 10.085 ( 26.042 3.905 -3.806) 26.606 10.486 ( 17.405 -8.668 -10.624) 22.157 11.311 ( 3.747 -7.272 4.187) 9.190 11.662 ( -12.827 4.871 -0.887) 13.749 11.738 ( -7.255 1.825 -0.100) 7.481 12.243 ( -20.978 1.416 -10.825) 23.649 12.429 ( 5.640 -1.309 1.679) 6.029 12.675 ( 5.053 -7.619 -3.679) 9.855 13.279 ( 3.776 0.689 9.482) 10.229 13.886 ( 11.933 2.971 -5.475) 13.461 13.990 ( -1.017 0.041 2.766) 2.948 14.357 ( -10.241 -5.409 -6.140) 13.108 15.183 ( 48.088 -2.037 0.453) 48.133 15.427 ( 34.613 -2.296 -4.411) 34.968 15.792 ( -17.095 -12.440 19.482) 28.750 16.956 ( -15.254 -13.845 -10.060) 22.926 18.325 ( -54.893 2.246 -0.040) 54.939 18.427 ( -53.074 0.378 -2.164) 53.119 22.518 ( -1.227 2.305 6.780) 7.265 23.222 ( -0.622 7.579 -15.038) 16.851 24.060 ( 2.691 5.642 20.465) 21.398 25.194 ( 8.218 1.358 -11.731) 14.388 ======================= Grid point 287 (110/171) ======================= q-point: (-0.36 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 0.000 9.445 6.144) 11.268 1.948 ( 0.000 0.292 -3.533) 3.546 2.062 ( 0.000 24.745 -2.335) 24.855 2.744 ( 0.000 14.532 -14.651) 20.635 3.148 ( -0.000 -11.930 17.912) 21.521 3.174 ( 0.000 3.017 3.049) 4.289 3.376 ( -0.000 -4.836 -1.548) 5.078 3.786 ( -0.000 -0.884 7.195) 7.249 3.809 ( 0.000 21.070 0.026) 21.070 3.890 ( 0.000 17.173 -0.220) 17.174 4.147 ( -0.000 -9.031 -6.318) 11.022 4.384 ( -0.000 -6.805 10.366) 12.400 4.610 ( -0.000 -11.048 17.709) 20.872 5.121 ( -0.000 -21.025 -0.160) 21.026 5.140 ( -0.000 -17.274 -0.696) 17.288 5.457 ( 0.000 9.569 3.986) 10.366 6.339 ( -0.000 -15.259 15.073) 21.448 6.448 ( -0.000 -11.539 10.768) 15.783 7.763 ( 0.000 3.956 -5.894) 7.099 7.874 ( 0.000 18.555 -7.481) 20.006 7.902 ( 0.000 0.561 0.583) 0.809 7.954 ( -0.000 -0.026 -0.668) 0.669 8.432 ( 0.000 10.858 -2.003) 11.041 8.714 ( 0.000 4.133 -9.253) 10.134 9.236 ( 0.000 7.552 16.967) 18.571 9.777 ( -0.000 -6.076 -0.950) 6.150 10.419 ( 0.000 0.196 -5.845) 5.849 10.781 ( -0.000 -8.666 -11.579) 14.463 11.315 ( 0.000 2.949 5.102) 5.893 11.373 ( 0.000 2.280 3.134) 3.875 11.785 ( -0.000 -2.889 -6.719) 7.313 11.957 ( 0.000 0.181 -13.345) 13.346 12.551 ( -0.000 -7.345 1.926) 7.593 12.798 ( -0.000 -11.221 -3.708) 11.818 13.301 ( 0.000 0.751 16.042) 16.059 13.955 ( 0.000 1.586 -0.831) 1.791 14.055 ( -0.000 -0.967 -2.531) 2.710 14.192 ( 0.000 0.193 -8.430) 8.432 15.611 ( -0.000 -9.550 22.447) 24.394 15.844 ( 0.000 6.015 -3.349) 6.884 15.938 ( -0.000 -2.259 -4.191) 4.761 16.926 ( -0.000 -17.237 -10.818) 20.350 17.613 ( -0.000 -0.611 2.218) 2.301 17.778 ( -0.000 -0.451 -1.818) 1.873 22.484 ( 0.000 3.958 6.633) 7.724 23.151 ( 0.000 10.709 -13.317) 17.088 24.042 ( 0.000 7.080 19.647) 20.884 25.269 ( 0.000 1.319 -14.053) 14.115 ======================= Grid point 298 (111/171) ======================= q-point: (-0.57 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 12.506 0.000 10.221) 16.151 1.919 ( -8.786 -0.000 -2.393) 9.106 2.297 ( 0.117 0.000 18.915) 18.916 2.816 ( 0.895 0.000 -3.693) 3.800 3.151 ( 7.204 0.000 17.952) 19.343 3.257 ( -4.118 -0.000 -6.508) 7.702 3.509 ( -4.835 -0.000 -16.139) 16.848 3.736 ( -14.564 -0.000 -2.956) 14.861 3.900 ( -4.447 -0.000 7.886) 9.054 4.112 ( -5.432 -0.000 3.338) 6.375 4.782 ( -22.293 -0.000 -8.800) 23.967 5.022 ( -16.812 -0.000 -0.381) 16.817 5.104 ( -15.959 -0.000 -6.910) 17.391 5.208 ( -18.670 -0.000 -3.935) 19.080 6.020 ( -24.468 -0.000 21.140) 32.335 6.289 ( -10.249 -0.000 20.090) 22.554 6.681 ( -50.077 -0.000 7.897) 50.696 6.998 ( -41.815 -0.000 5.894) 42.229 7.752 ( 0.853 0.000 -7.213) 7.264 8.270 ( -9.536 -0.000 -18.817) 21.096 8.492 ( -20.692 -0.000 0.170) 20.693 8.532 ( -29.958 -0.000 -1.348) 29.988 8.781 ( -5.670 -0.000 -5.464) 7.874 8.823 ( 4.629 0.000 -4.187) 6.242 9.216 ( 3.791 0.000 3.366) 5.070 9.474 ( -3.310 -0.000 7.617) 8.305 9.881 ( 4.147 0.000 1.928) 4.574 9.986 ( 19.748 0.000 -9.355) 21.852 11.033 ( 7.000 0.000 8.713) 11.177 11.588 ( 11.183 0.000 -4.494) 12.052 12.301 ( 8.429 0.000 0.655) 8.454 12.392 ( -29.482 -0.000 2.812) 29.616 12.469 ( 4.848 0.000 -2.452) 5.433 12.747 ( -23.391 -0.000 -5.099) 23.940 13.155 ( 11.275 0.000 -3.441) 11.788 13.470 ( 34.971 0.000 -8.765) 36.053 13.857 ( 13.558 0.000 8.940) 16.240 14.320 ( 13.990 0.000 -3.397) 14.396 14.429 ( 8.359 0.000 4.286) 9.394 14.836 ( 17.852 0.000 -5.498) 18.680 16.134 ( -30.911 -0.000 17.141) 35.346 17.212 ( -27.612 -0.000 -10.211) 29.439 19.423 ( -51.564 -0.000 -0.756) 51.569 19.509 ( -54.281 -0.000 -2.558) 54.341 22.575 ( -2.655 -0.000 6.996) 7.483 23.307 ( -0.567 -0.000 -16.288) 16.298 24.050 ( 4.518 0.000 19.876) 20.383 25.002 ( 12.959 0.000 -8.626) 15.567 ======================= Grid point 300 (112/171) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -6.281 1.957 1.493) 6.746 1.929 ( 3.032 -0.576 -3.024) 4.321 2.396 ( 9.102 8.459 19.579) 23.190 2.861 ( 1.614 -7.187 -2.139) 7.670 3.106 ( 0.847 21.665 -4.782) 22.202 3.285 ( -0.455 0.200 5.902) 5.923 3.452 ( -12.783 -0.461 -1.573) 12.887 3.538 ( -0.878 -20.582 -9.935) 22.871 3.853 ( 3.318 0.552 12.324) 12.774 4.072 ( 2.296 -3.202 1.562) 4.238 4.341 ( -9.490 13.472 -7.660) 18.172 4.536 ( -19.583 20.690 -1.117) 28.510 4.775 ( -23.654 -11.149 -3.320) 26.360 4.917 ( -21.628 -24.617 -1.276) 32.793 5.511 ( -37.660 7.316 11.460) 40.040 5.665 ( -27.206 -10.512 7.192) 30.040 6.218 ( -8.454 4.353 28.245) 29.802 6.472 ( -13.708 -3.842 14.537) 20.347 7.785 ( 2.262 1.425 -8.665) 9.068 8.050 ( -11.574 0.941 -2.799) 11.944 8.058 ( -13.965 0.431 -0.517) 13.981 8.213 ( -4.813 6.291 -12.432) 14.741 8.653 ( -5.801 5.562 -5.343) 9.651 8.749 ( -3.226 -3.322 -11.733) 12.614 9.421 ( 0.712 7.049 13.460) 15.211 9.577 ( 10.587 -3.895 1.895) 11.439 10.131 ( 22.963 2.066 -1.969) 23.140 10.394 ( 19.034 -3.728 -9.095) 21.422 11.169 ( 3.791 -7.721 6.893) 11.023 11.709 ( -15.339 1.569 -1.803) 15.524 11.775 ( -9.772 1.870 -2.115) 10.171 12.256 ( -24.378 0.373 -10.133) 26.403 12.445 ( 6.782 1.779 1.267) 7.125 12.612 ( 5.384 -1.947 -2.217) 6.140 13.290 ( 3.278 0.594 9.571) 10.134 13.903 ( 11.063 -0.029 -5.198) 12.224 14.003 ( 1.718 1.387 -1.116) 2.474 14.293 ( -7.026 -2.955 -5.108) 9.176 15.176 ( 52.071 0.417 -0.888) 52.080 15.402 ( 35.723 -1.221 -4.149) 35.984 15.669 ( -15.627 -4.584 20.778) 26.400 16.822 ( -13.890 -4.964 -9.414) 17.499 18.347 ( -56.098 0.816 -0.325) 56.105 18.432 ( -53.307 0.247 -2.036) 53.347 22.537 ( -1.165 0.608 7.029) 7.151 23.292 ( -0.212 2.421 -17.010) 17.183 24.115 ( 2.707 2.034 21.776) 22.038 25.205 ( 7.651 0.323 -10.288) 12.826 ======================= Grid point 301 (113/171) ======================= q-point: (-0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 0.000 4.917 4.953) 6.979 1.949 ( -0.000 -0.110 -2.241) 2.243 2.377 ( 0.000 19.659 5.571) 20.433 2.966 ( -0.000 -11.667 6.467) 13.340 2.998 ( 0.000 19.103 -6.407) 20.149 3.200 ( 0.000 1.017 1.771) 2.042 3.319 ( -0.000 -2.924 -0.891) 3.057 3.655 ( -0.000 -15.855 -7.374) 17.486 3.990 ( -0.000 -10.425 4.192) 11.237 4.103 ( 0.000 18.498 0.254) 18.499 4.156 ( 0.000 21.235 1.173) 21.267 4.344 ( -0.000 -2.331 -5.134) 5.639 4.559 ( 0.000 4.714 20.714) 21.244 4.810 ( -0.000 -22.996 0.068) 22.996 4.900 ( -0.000 -15.798 -2.219) 15.953 5.533 ( -0.000 -4.976 2.328) 5.494 6.112 ( -0.000 -2.693 31.608) 31.722 6.395 ( -0.000 -4.935 14.916) 15.711 7.806 ( 0.000 2.119 -7.871) 8.151 7.909 ( 0.000 0.298 0.499) 0.581 7.954 ( -0.000 -0.012 -0.601) 0.601 8.106 ( 0.000 13.095 -14.171) 19.295 8.555 ( 0.000 6.351 -4.309) 7.674 8.730 ( -0.000 -0.938 -12.361) 12.396 9.370 ( 0.000 9.631 16.428) 19.043 9.692 ( -0.000 -5.429 1.288) 5.580 10.432 ( 0.000 1.215 -5.465) 5.599 10.673 ( -0.000 -5.892 -10.385) 11.940 11.276 ( -0.000 -11.304 5.404) 12.529 11.347 ( 0.000 1.650 4.795) 5.071 11.793 ( 0.000 2.268 -7.555) 7.888 11.959 ( 0.000 0.068 -12.747) 12.748 12.515 ( 0.000 0.626 1.278) 1.423 12.691 ( -0.000 -4.461 -2.322) 5.029 13.310 ( 0.000 0.419 15.747) 15.753 13.981 ( 0.000 2.030 -2.953) 3.583 14.037 ( -0.000 -1.638 -3.800) 4.138 14.194 ( 0.000 0.106 -8.422) 8.422 15.501 ( -0.000 -5.694 23.706) 24.381 15.905 ( 0.000 1.952 -4.767) 5.151 15.924 ( 0.000 0.542 -4.739) 4.770 16.741 ( -0.000 -9.021 -9.472) 13.081 17.606 ( -0.000 -0.340 2.242) 2.268 17.773 ( -0.000 -0.250 -1.837) 1.854 22.519 ( 0.000 1.367 6.921) 7.055 23.263 ( 0.000 5.232 -16.559) 17.366 24.121 ( 0.000 3.950 22.029) 22.380 25.280 ( 0.000 0.316 -11.452) 11.456 ======================= Grid point 315 (114/171) ======================= q-point: ( 0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 0.000 0.000 4.540) 4.540 1.948 ( 0.000 0.000 -1.783) 1.783 2.555 ( 0.000 0.000 20.680) 20.680 2.838 ( 0.000 0.000 -9.580) 9.580 3.207 ( 0.000 0.000 1.315) 1.315 3.225 ( -0.000 -0.000 1.438) 1.438 3.298 ( 0.000 0.000 -0.704) 0.704 3.455 ( 0.000 0.000 -17.241) 17.241 3.912 ( 0.000 0.000 8.728) 8.728 4.256 ( 0.000 0.000 2.474) 2.474 4.319 ( -0.000 -0.000 -7.020) 7.020 4.467 ( -0.000 -0.000 3.515) 3.515 4.492 ( 0.000 0.000 -2.519) 2.519 4.631 ( 0.000 0.000 12.411) 12.411 4.762 ( 0.000 0.000 -4.018) 4.018 5.435 ( 0.000 0.000 12.861) 12.861 6.171 ( -0.000 -0.000 28.374) 28.374 6.324 ( 0.000 0.000 18.389) 18.389 7.821 ( 0.000 0.000 -8.780) 8.780 7.911 ( 0.000 0.000 0.471) 0.471 7.954 ( 0.000 0.000 -0.577) 0.577 8.204 ( 0.000 0.000 -15.530) 15.530 8.603 ( 0.000 0.000 -2.710) 2.710 8.716 ( 0.000 0.000 -15.962) 15.962 9.450 ( 0.000 0.000 14.634) 14.634 9.647 ( 0.000 0.000 2.351) 2.351 10.442 ( 0.000 0.000 -5.103) 5.103 10.631 ( 0.000 0.000 -9.242) 9.242 11.179 ( 0.000 0.000 6.987) 6.987 11.359 ( 0.000 0.000 4.683) 4.683 11.811 ( 0.000 0.000 -8.922) 8.922 11.959 ( 0.000 0.000 -12.531) 12.531 12.526 ( 0.000 0.000 1.294) 1.294 12.661 ( 0.000 0.000 -1.575) 1.575 13.313 ( 0.000 0.000 15.641) 15.641 14.009 ( 0.000 0.000 -0.285) 0.285 14.011 ( -0.000 -0.000 -7.789) 7.789 14.195 ( 0.000 0.000 -8.419) 8.419 15.460 ( 0.000 0.000 24.095) 24.095 15.909 ( 0.000 0.000 -6.341) 6.341 15.938 ( 0.000 0.000 -3.646) 3.646 16.677 ( 0.000 0.000 -8.983) 8.983 17.603 ( 0.000 0.000 2.251) 2.251 17.772 ( 0.000 0.000 -1.844) 1.844 22.528 ( 0.000 0.000 7.081) 7.081 23.299 ( 0.000 0.000 -17.565) 17.565 24.149 ( 0.000 0.000 22.641) 22.641 25.282 ( 0.000 0.000 -10.675) 10.675 ======================= Grid point 410 (115/171) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 0.000 0.000 25.810) 25.810 1.396 ( 0.000 0.000 36.713) 36.713 1.511 ( 0.000 0.000 -21.587) 21.587 2.025 ( 0.000 0.000 -20.596) 20.596 2.637 ( 0.000 0.000 45.050) 45.050 2.836 ( 0.000 0.000 6.369) 6.369 2.939 ( 0.000 0.000 -4.444) 4.444 3.559 ( 0.000 0.000 4.405) 4.405 3.612 ( 0.000 0.000 -47.264) 47.264 3.642 ( 0.000 0.000 -4.068) 4.068 4.462 ( 0.000 0.000 18.863) 18.863 4.695 ( 0.000 0.000 -6.230) 6.230 5.684 ( 0.000 0.000 1.880) 1.880 5.845 ( 0.000 0.000 -13.794) 13.794 5.876 ( 0.000 0.000 1.882) 1.882 5.914 ( 0.000 0.000 -1.929) 1.929 6.587 ( 0.000 0.000 8.603) 8.603 6.700 ( 0.000 0.000 -3.291) 3.291 7.797 ( 0.000 0.000 1.741) 1.741 7.831 ( 0.000 0.000 -2.345) 2.345 7.892 ( 0.000 0.000 1.951) 1.951 7.929 ( 0.000 0.000 -1.812) 1.812 8.680 ( 0.000 0.000 5.965) 5.965 8.765 ( 0.000 0.000 -3.127) 3.127 9.533 ( 0.000 0.000 4.028) 4.028 9.641 ( 0.000 0.000 -7.041) 7.041 10.226 ( 0.000 0.000 10.590) 10.590 10.421 ( 0.000 0.000 -9.730) 9.730 11.312 ( 0.000 0.000 12.938) 12.938 11.450 ( 0.000 0.000 16.436) 16.436 11.602 ( 0.000 0.000 -17.303) 17.303 11.751 ( 0.000 0.000 -14.729) 14.729 13.333 ( 0.000 0.000 12.469) 12.469 13.574 ( 0.000 0.000 -12.350) 12.350 13.617 ( 0.000 0.000 19.340) 19.340 13.950 ( 0.000 0.000 -15.351) 15.351 14.375 ( 0.000 0.000 4.876) 4.876 14.476 ( 0.000 0.000 -5.645) 5.645 15.936 ( 0.000 0.000 18.899) 18.899 16.298 ( 0.000 0.000 -18.441) 18.441 17.703 ( 0.000 0.000 3.150) 3.150 17.763 ( 0.000 0.000 -2.921) 2.921 18.117 ( 0.000 0.000 2.599) 2.599 18.156 ( 0.000 0.000 -1.408) 1.408 21.824 ( 0.000 0.000 0.642) 0.642 21.854 ( 0.000 0.000 -2.653) 2.653 23.049 ( 0.000 0.000 11.354) 11.354 23.248 ( 0.000 0.000 -9.298) 9.298 ======================= Grid point 411 (116/171) ======================= q-point: ( 0.07 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 17.392 -3.366 18.720) 25.773 1.422 ( 6.833 3.257 25.992) 27.072 1.693 ( 13.731 -0.758 -9.456) 16.689 2.067 ( 5.318 2.062 -22.223) 22.943 2.685 ( 3.992 -5.028 20.347) 21.336 2.861 ( 2.569 -3.017 0.486) 3.993 3.218 ( 24.046 -5.970 12.191) 27.613 3.605 ( 8.042 -2.414 -16.874) 18.848 3.734 ( 13.769 0.368 10.121) 17.093 4.044 ( 23.325 -3.883 -23.667) 33.455 4.467 ( 2.533 2.359 17.917) 18.248 4.716 ( 3.856 1.448 -9.275) 10.149 5.649 ( -0.396 7.959 1.287) 8.072 5.758 ( -0.923 8.898 -7.614) 11.747 6.131 ( 19.374 -2.487 1.595) 19.598 6.186 ( 23.723 -3.788 -5.135) 24.567 6.768 ( 17.867 -5.535 5.480) 19.490 6.829 ( 13.520 -4.316 -0.691) 14.209 7.457 ( -15.417 1.863 2.498) 15.729 7.485 ( -17.049 -0.197 -0.426) 17.056 8.164 ( 2.143 5.922 11.835) 13.406 8.275 ( 20.281 3.117 -2.644) 20.689 8.543 ( -17.921 7.656 7.894) 21.026 8.628 ( -7.834 9.411 -0.738) 12.268 9.302 ( -29.462 -5.402 13.791) 32.976 9.447 ( -17.873 -3.378 -2.854) 18.412 9.741 ( -15.846 -3.302 4.280) 16.742 9.835 ( -23.878 -13.793 -2.334) 27.675 10.955 ( -14.251 1.051 5.443) 15.292 11.126 ( -21.801 1.243 -12.366) 25.095 12.036 ( 18.087 2.836 4.452) 18.841 12.190 ( 16.858 2.951 -10.786) 20.230 13.260 ( -2.260 0.716 13.317) 13.527 13.472 ( -6.947 1.142 -2.071) 7.339 13.486 ( -7.969 -0.818 4.905) 9.393 13.653 ( -10.340 -0.065 -6.622) 12.278 14.352 ( -1.695 2.296 4.765) 5.554 14.451 ( -2.089 1.639 -5.591) 6.189 16.093 ( -19.674 6.227 20.302) 28.949 16.470 ( -16.729 12.376 -19.076) 28.230 17.503 ( 31.188 8.438 7.504) 33.169 17.664 ( 32.212 0.137 -9.354) 33.543 19.006 ( 57.470 15.348 6.787) 59.871 19.272 ( 81.297 35.783 -24.684) 92.190 21.820 ( 5.892 -0.975 13.086) 14.384 22.116 ( 5.801 -33.693 -20.222) 39.721 23.125 ( 0.086 -20.268 8.081) 21.820 23.289 ( 0.430 -10.510 -8.326) 13.415 ======================= Grid point 412 (117/171) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 13.433 2.102 19.269) 23.583 1.657 ( 16.066 -3.509 11.541) 20.091 1.977 ( 14.664 -0.078 -3.110) 14.990 2.207 ( 10.821 3.240 -19.923) 22.902 2.854 ( 10.228 -3.286 6.115) 12.362 3.012 ( 10.260 -5.289 -7.216) 13.613 3.710 ( 12.422 -1.500 5.189) 13.545 3.809 ( 8.565 0.020 -4.937) 9.886 4.018 ( 16.910 -6.336 22.695) 29.003 4.337 ( 5.815 2.758 -3.631) 7.389 4.610 ( 11.507 -5.092 10.956) 16.685 4.913 ( 15.723 -3.182 -19.823) 25.501 5.580 ( 0.072 9.341 3.108) 9.845 5.731 ( 3.319 8.293 -10.464) 13.758 6.442 ( 3.937 -11.704 4.536) 13.155 6.542 ( 3.716 -8.705 -6.508) 11.486 7.209 ( 9.314 5.348 7.332) 13.005 7.277 ( 16.718 4.753 -1.812) 17.474 7.492 ( 26.764 8.843 14.144) 31.537 7.561 ( 41.997 -3.578 1.201) 42.167 7.808 ( -0.674 -7.433 22.601) 23.802 8.152 ( -14.388 9.810 -3.667) 17.796 8.377 ( -9.636 -0.258 -2.950) 10.081 8.473 ( -7.339 -1.652 -15.198) 16.958 9.333 ( 13.706 -5.104 2.596) 14.854 9.379 ( 22.647 -3.090 -1.372) 22.898 9.613 ( -2.281 -4.627 5.473) 7.521 9.718 ( -4.483 -8.506 -4.810) 10.751 10.640 ( -17.153 -0.078 3.689) 17.545 10.745 ( -18.130 -2.471 -7.496) 19.773 12.137 ( -2.094 2.714 7.599) 8.336 12.304 ( -0.757 2.272 -9.497) 9.795 13.298 ( -9.849 -0.229 8.672) 13.124 13.356 ( 10.745 4.445 9.993) 15.332 13.455 ( -5.081 0.244 -6.983) 8.639 13.546 ( 6.200 4.175 -9.256) 11.897 14.277 ( -4.196 2.214 4.570) 6.588 14.372 ( -5.087 1.034 -5.439) 7.518 15.451 ( -31.186 9.810 18.854) 37.739 15.778 ( -32.927 12.409 -15.124) 38.301 18.142 ( 31.282 17.795 13.599) 38.473 18.431 ( 37.658 4.129 -16.002) 41.124 19.927 ( 50.759 24.164 16.407) 58.563 20.307 ( 55.934 44.856 -23.482) 75.446 22.051 ( 10.536 -15.508 18.133) 26.083 22.439 ( 6.857 -19.624 -22.203) 30.415 23.282 ( -1.517 -24.208 4.084) 24.597 23.419 ( 0.645 -22.346 -9.841) 24.425 ======================= Grid point 413 (118/171) ======================= q-point: ( 0.21 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 11.988 0.843 12.246) 17.157 1.957 ( 11.716 -4.182 2.768) 12.744 2.257 ( 15.055 2.290 3.210) 15.563 2.422 ( 13.357 4.167 -13.126) 19.185 3.121 ( 14.381 -3.383 4.795) 15.532 3.314 ( 15.609 -5.907 -12.833) 21.052 3.751 ( -1.098 4.448 11.811) 12.668 3.891 ( 0.855 1.497 -2.945) 3.412 4.236 ( 3.738 5.313 10.058) 11.974 4.372 ( 0.076 6.337 -2.916) 6.976 4.956 ( 10.195 -9.834 9.995) 17.336 5.080 ( -4.378 0.140 -3.605) 5.673 5.670 ( 14.112 -6.791 -2.652) 15.884 5.764 ( 7.127 -6.880 -12.104) 15.641 6.526 ( -1.255 -10.868 4.942) 12.004 6.607 ( -1.531 -10.282 -3.347) 10.921 7.426 ( 11.525 7.017 12.358) 18.297 7.460 ( 3.056 7.702 14.728) 16.899 7.610 ( 16.066 -1.694 -4.309) 16.720 7.813 ( 5.310 8.128 -6.143) 11.489 8.145 ( -3.645 -1.324 1.352) 4.107 8.287 ( -9.171 -1.807 -13.452) 16.381 8.835 ( 63.943 -3.459 1.347) 64.051 8.867 ( 61.619 -5.804 -1.579) 61.912 9.504 ( -0.299 -3.099 10.029) 10.502 9.662 ( 0.561 -3.860 -5.737) 6.938 9.983 ( 29.117 5.912 1.805) 29.766 10.014 ( 32.599 0.753 -1.210) 32.630 10.362 ( -7.287 -6.105 6.743) 11.655 10.520 ( -4.517 -12.517 -9.426) 16.307 12.000 ( -8.828 3.436 10.351) 14.032 12.204 ( -6.613 3.571 -10.484) 12.899 13.064 ( -13.931 -0.629 8.315) 16.236 13.237 ( -13.035 1.786 -9.552) 16.258 13.582 ( 13.451 8.546 6.423) 17.182 13.713 ( 11.462 9.527 -7.235) 16.568 14.173 ( -5.193 -0.085 3.783) 6.425 14.245 ( -7.553 -1.556 -3.524) 8.479 14.881 ( -19.265 9.465 15.465) 26.455 15.149 ( -22.858 10.943 -12.332) 28.183 18.466 ( 16.449 17.782 20.489) 31.726 18.911 ( 19.310 13.545 -25.859) 35.000 20.618 ( 36.587 20.001 16.607) 44.882 20.916 ( 35.733 30.058 -14.804) 48.984 22.377 ( 10.789 -14.570 15.026) 23.546 22.666 ( 6.052 -11.319 -14.346) 19.250 23.402 ( -1.838 -19.468 6.563) 20.627 23.569 ( -2.675 -22.734 -10.854) 25.334 ======================= Grid point 414 (119/171) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 8.605 -2.958 7.989) 12.109 2.170 ( 7.074 -5.804 -2.198) 9.410 2.517 ( 13.752 4.638 4.607) 15.226 2.636 ( 11.331 4.682 -8.141) 14.716 3.419 ( 12.132 -4.454 6.297) 14.376 3.596 ( 3.726 -1.939 -6.817) 8.007 3.724 ( 5.673 0.076 6.106) 8.335 3.876 ( -1.088 -1.005 -6.423) 6.591 4.187 ( -1.612 12.336 5.354) 13.544 4.247 ( -4.909 10.532 -0.702) 11.641 4.872 ( -6.776 2.511 5.719) 9.216 5.009 ( -7.201 -1.697 -6.091) 9.583 6.094 ( 16.869 -15.241 2.984) 22.929 6.170 ( 15.410 -16.478 -3.843) 22.886 6.582 ( 2.884 -9.840 4.107) 11.046 6.637 ( 0.182 -8.232 -0.636) 8.259 7.398 ( -1.260 8.330 6.406) 10.584 7.555 ( 5.336 3.237 -9.861) 11.670 7.819 ( 8.864 0.575 10.421) 13.693 8.049 ( 13.114 0.898 -7.388) 15.078 8.259 ( 9.843 -3.563 1.439) 10.566 8.381 ( 19.282 -6.175 -8.130) 21.818 9.415 ( -0.325 -1.080 9.450) 9.517 9.564 ( 2.246 -2.513 -6.200) 7.056 10.007 ( -0.648 1.308 8.000) 8.132 10.099 ( 8.094 -5.147 0.155) 9.593 10.167 ( 52.658 4.126 0.324) 52.821 10.202 ( 36.232 2.680 -3.370) 36.487 10.993 ( 43.772 -5.332 3.637) 44.246 11.084 ( 41.982 -9.438 -5.722) 43.409 11.788 ( -7.882 3.374 11.658) 14.471 12.017 ( -8.541 4.865 -11.640) 15.235 12.782 ( -14.112 0.851 7.059) 15.802 12.942 ( -14.551 3.620 -9.637) 17.824 13.699 ( 3.361 10.178 2.631) 11.036 13.761 ( 0.504 9.685 -3.521) 10.317 14.095 ( -0.850 0.743 6.132) 6.235 14.196 ( 2.251 -1.350 -4.191) 4.945 14.593 ( -5.521 5.219 8.516) 11.412 14.753 ( -11.164 7.024 -7.780) 15.314 18.575 ( 7.920 15.575 22.689) 28.637 19.060 ( 8.338 15.477 -27.608) 32.730 21.064 ( 21.216 11.931 13.143) 27.662 21.291 ( 20.296 17.161 -10.796) 28.688 22.648 ( 8.547 -9.226 10.576) 16.432 22.846 ( 5.448 -8.356 -9.796) 13.981 23.478 ( -3.195 -15.432 7.190) 17.322 23.623 ( -5.985 -16.921 -7.735) 19.544 ======================= Grid point 415 (120/171) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 7.132 -7.732 4.858) 11.587 2.327 ( 4.327 -7.674 -2.542) 9.169 2.705 ( 8.864 4.602 2.739) 10.357 2.788 ( 7.629 3.633 -6.425) 10.615 3.531 ( -2.614 0.772 9.739) 10.113 3.641 ( 4.079 -6.696 1.539) 7.990 3.817 ( -2.581 -4.166 -0.571) 4.933 3.931 ( 4.599 -3.001 -10.495) 11.845 4.040 ( -1.410 15.434 2.487) 15.696 4.111 ( -1.641 9.737 -3.297) 10.410 4.806 ( 1.441 2.904 6.276) 7.064 4.911 ( -2.367 0.287 -3.771) 4.461 6.216 ( -4.513 0.677 6.190) 7.690 6.323 ( -5.753 -3.162 -4.762) 8.110 6.903 ( 21.378 -8.628 3.380) 23.300 6.958 ( 18.591 -11.707 -1.200) 22.002 7.364 ( 2.294 0.514 9.423) 9.711 7.583 ( 0.624 -2.788 -13.149) 13.456 8.065 ( 13.447 -3.813 10.000) 17.186 8.292 ( 10.777 -6.659 -11.598) 17.175 8.589 ( 17.575 -2.003 6.372) 18.802 8.756 ( 13.134 -4.791 -9.996) 17.186 9.436 ( 2.775 -2.360 8.947) 9.660 9.580 ( -0.625 -3.650 -5.952) 7.009 9.945 ( 0.126 -0.916 8.278) 8.330 10.064 ( -2.405 -5.501 -3.993) 7.210 10.858 ( 16.555 15.260 8.678) 24.130 10.957 ( 26.251 12.021 -1.650) 28.919 11.425 ( 0.655 2.779 8.893) 9.340 11.645 ( -1.598 2.714 -12.776) 13.158 12.028 ( 23.101 -8.932 3.832) 25.062 12.102 ( 26.682 -9.732 -2.943) 28.554 12.644 ( 9.173 2.594 1.371) 9.631 12.710 ( -1.349 4.945 -5.981) 7.877 13.589 ( -4.542 5.537 5.889) 9.272 13.700 ( -0.995 5.168 -6.175) 8.113 14.139 ( 5.478 4.782 5.663) 9.216 14.240 ( 1.551 4.557 -4.618) 6.671 14.577 ( 5.714 1.911 2.914) 6.693 14.634 ( 1.364 0.546 -2.801) 3.163 18.583 ( 3.340 11.518 22.959) 25.902 19.065 ( 3.205 12.325 -26.912) 29.773 21.290 ( 9.227 6.004 10.656) 15.321 21.475 ( 8.594 8.530 -8.874) 15.012 22.843 ( 6.548 -5.053 7.834) 11.393 22.989 ( 4.107 -5.598 -7.222) 10.018 23.489 ( -5.287 -11.251 5.479) 13.585 23.587 ( -7.557 -11.201 -4.674) 14.297 ======================= Grid point 416 (121/171) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 4.682 -6.083 1.013) 7.742 2.442 ( 2.560 -7.086 -1.119) 7.617 2.805 ( 4.267 2.155 2.101) 5.222 2.890 ( 4.695 1.213 -6.617) 8.204 3.500 ( -0.391 -1.342 9.780) 9.879 3.703 ( -3.145 -4.856 -11.302) 12.697 3.786 ( -0.206 -2.555 11.666) 11.945 3.938 ( 1.951 12.285 3.169) 12.836 4.014 ( -0.452 2.422 -6.815) 7.246 4.028 ( -0.385 0.499 -10.416) 10.435 4.840 ( 2.786 2.528 5.731) 6.856 4.897 ( 0.651 1.355 -0.041) 1.504 6.099 ( -4.547 3.038 5.261) 7.588 6.200 ( -4.608 2.060 -5.337) 7.346 7.197 ( 3.311 0.177 6.673) 7.451 7.276 ( 9.782 0.991 -2.712) 10.199 7.587 ( 17.128 -3.787 5.213) 18.300 7.697 ( 7.949 -6.019 -5.666) 11.468 8.322 ( 4.466 -12.312 7.955) 15.323 8.465 ( 0.455 -9.966 -5.930) 11.606 8.875 ( 9.813 2.010 0.489) 10.029 8.991 ( 10.290 -2.630 -11.444) 15.613 9.569 ( 7.615 -6.048 3.492) 10.332 9.627 ( 2.686 -6.198 -2.461) 7.189 10.003 ( 4.258 5.069 6.328) 9.158 10.093 ( 1.573 0.915 -3.047) 3.549 10.764 ( -5.344 7.738 18.996) 21.197 11.055 ( -0.757 8.348 -9.873) 12.951 11.277 ( -12.349 7.064 9.104) 16.890 11.442 ( -14.075 3.681 -8.132) 16.667 12.358 ( 10.370 -3.328 0.792) 10.920 12.444 ( 5.576 -2.598 -8.052) 10.133 12.979 ( 19.647 -2.679 4.764) 20.393 13.049 ( 19.358 -0.821 -2.281) 19.509 13.540 ( 3.116 1.162 6.085) 6.934 13.672 ( 1.518 3.687 -8.121) 9.047 14.200 ( 3.324 3.207 1.576) 4.880 14.222 ( 0.676 3.527 -0.630) 3.646 14.709 ( 7.091 0.142 1.298) 7.210 14.738 ( 6.919 0.674 -1.611) 7.136 18.561 ( 1.139 6.156 22.787) 23.631 19.035 ( 0.988 6.718 -26.148) 27.015 21.367 ( 2.537 2.375 9.373) 9.997 21.530 ( 2.132 3.245 -7.845) 8.753 22.976 ( 4.638 -1.972 5.825) 7.703 23.078 ( 1.915 -2.715 -4.529) 5.617 23.450 ( -4.457 -6.638 3.042) 8.555 23.506 ( -6.260 -5.494 -2.761) 8.775 ======================= Grid point 417 (122/171) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 0.000 -0.000 1.416) 1.416 2.514 ( 0.000 -0.000 -3.273) 3.273 2.841 ( 0.000 -0.000 2.670) 2.670 2.937 ( 0.000 0.000 -6.643) 6.643 3.510 ( 0.000 -0.000 8.411) 8.411 3.668 ( 0.000 0.000 -4.465) 4.465 3.811 ( 0.000 0.000 5.362) 5.362 3.908 ( 0.000 -0.000 0.574) 0.574 3.972 ( 0.000 -0.000 -2.989) 2.989 4.047 ( 0.000 -0.000 -12.115) 12.115 4.858 ( 0.000 -0.000 5.237) 5.237 4.899 ( 0.000 -0.000 1.140) 1.140 6.038 ( 0.000 -0.000 5.803) 5.803 6.149 ( 0.000 -0.000 -5.956) 5.956 7.216 ( 0.000 -0.000 8.447) 8.447 7.346 ( 0.000 0.000 -5.766) 5.766 7.813 ( 0.000 0.000 4.126) 4.126 7.831 ( -0.000 -0.000 2.017) 2.017 8.389 ( 0.000 -0.000 3.511) 3.511 8.486 ( 0.000 -0.000 -7.346) 7.346 8.974 ( 0.000 0.000 2.058) 2.058 9.106 ( 0.000 -0.000 -11.873) 11.873 9.729 ( 0.000 -0.000 0.344) 0.344 9.736 ( 0.000 0.000 -0.287) 0.287 9.960 ( 0.000 -0.000 6.935) 6.935 10.064 ( 0.000 -0.000 -4.368) 4.368 10.763 ( 0.000 -0.000 19.057) 19.057 10.980 ( -0.000 0.000 7.269) 7.269 11.150 ( 0.000 -0.000 -11.582) 11.582 11.155 ( -0.000 0.000 -2.452) 2.452 12.478 ( -0.000 0.000 -2.591) 2.591 12.502 ( 0.000 -0.000 -5.464) 5.464 13.193 ( 0.000 -0.000 4.190) 4.190 13.211 ( 0.000 -0.000 2.477) 2.477 13.618 ( 0.000 -0.000 0.879) 0.879 13.682 ( 0.000 0.000 -6.345) 6.345 14.211 ( 0.000 -0.000 1.450) 1.450 14.229 ( 0.000 -0.000 -0.742) 0.742 14.792 ( 0.000 0.000 0.633) 0.633 14.808 ( 0.000 -0.000 -1.009) 1.009 18.550 ( 0.000 -0.000 22.687) 22.687 19.020 ( 0.000 0.000 -25.851) 25.851 21.379 ( 0.000 -0.000 8.971) 8.971 21.536 ( 0.000 -0.000 -7.505) 7.505 23.036 ( 0.000 -0.000 4.412) 4.412 23.102 ( -0.000 -0.000 -2.104) 2.104 23.436 ( 0.000 -0.000 0.353) 0.353 23.449 ( -0.000 0.000 -1.100) 1.100 ======================= Grid point 426 (123/171) ======================= q-point: ( 0.07 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 15.944 0.000 13.865) 21.129 1.642 ( 13.428 0.000 17.692) 22.211 1.979 ( 15.434 0.000 -2.079) 15.573 2.230 ( 10.681 0.000 -17.288) 20.321 2.834 ( 11.636 0.000 4.155) 12.355 2.975 ( 10.731 0.000 -6.219) 12.403 3.688 ( 18.848 0.000 5.282) 19.574 3.806 ( 9.599 0.000 -7.010) 11.886 3.974 ( 14.047 0.000 23.843) 27.673 4.362 ( 9.407 0.000 -12.549) 15.683 4.566 ( 7.975 0.000 18.145) 19.820 4.894 ( 12.596 0.000 -19.173) 22.940 5.662 ( -2.639 -0.000 1.838) 3.217 5.793 ( -0.206 -0.000 -10.103) 10.105 6.341 ( 4.864 0.000 6.420) 8.055 6.475 ( 4.929 0.000 -7.878) 9.293 7.263 ( 0.831 0.000 7.342) 7.389 7.320 ( 7.440 0.000 -0.925) 7.497 7.515 ( 55.197 0.000 2.418) 55.250 7.533 ( 54.928 0.000 0.401) 54.929 7.769 ( -23.969 -0.000 38.448) 45.308 8.305 ( -24.689 -0.000 -12.808) 27.814 8.306 ( -10.711 -0.000 3.789) 11.362 8.470 ( -6.340 -0.000 -15.643) 16.879 9.286 ( 17.160 0.000 2.936) 17.409 9.346 ( 27.666 0.000 -2.340) 27.764 9.578 ( -1.472 -0.000 4.926) 5.142 9.665 ( -2.240 -0.000 -4.718) 5.223 10.641 ( -17.777 -0.000 3.392) 18.098 10.731 ( -19.696 -0.000 -6.365) 20.699 12.157 ( -2.552 -0.000 7.426) 7.852 12.320 ( -1.166 -0.000 -9.240) 9.313 13.295 ( -10.819 -0.000 9.214) 14.211 13.389 ( 12.973 0.000 9.878) 16.305 13.456 ( -6.265 -0.000 -7.185) 9.533 13.570 ( 7.650 0.000 -9.097) 11.886 14.295 ( -4.820 -0.000 3.995) 6.261 14.382 ( -5.609 -0.000 -5.158) 7.620 15.521 ( -32.285 -0.000 20.064) 38.012 15.868 ( -35.335 -0.000 -15.828) 38.718 18.286 ( 26.880 0.000 6.964) 27.767 18.439 ( 42.533 0.000 -8.890) 43.452 20.135 ( 50.208 0.000 24.664) 55.939 20.716 ( 49.393 0.000 -34.831) 60.439 21.999 ( 8.703 0.000 2.546) 9.067 22.141 ( 12.677 0.000 -14.800) 19.487 23.079 ( 2.052 0.000 10.910) 11.101 23.276 ( 2.051 0.000 -9.579) 9.796 ======================= Grid point 427 (124/171) ======================= q-point: ( 0.14 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 11.379 2.092 10.579) 15.677 1.908 ( 11.469 -2.873 7.326) 13.909 2.284 ( 16.294 1.202 3.652) 16.741 2.463 ( 13.069 1.518 -12.103) 17.877 3.098 ( 14.763 -0.375 2.315) 14.948 3.260 ( 16.688 -1.915 -11.288) 20.238 3.803 ( -0.366 2.418 9.130) 9.452 3.897 ( -0.198 -0.373 -1.895) 1.941 4.278 ( 10.462 0.944 12.068) 16.000 4.449 ( 2.320 4.188 -2.891) 5.593 4.830 ( 14.381 -6.064 12.913) 20.256 5.052 ( -2.253 -2.471 -10.803) 11.309 5.611 ( 4.602 -1.129 -2.575) 5.393 5.717 ( -4.920 -1.652 -12.231) 13.287 6.419 ( 2.969 -3.862 5.322) 7.215 6.509 ( -0.395 -3.561 -3.250) 4.837 7.464 ( 12.446 0.697 7.191) 14.391 7.544 ( 4.771 3.034 27.610) 28.183 7.601 ( 14.440 -0.066 -7.274) 16.169 7.928 ( -3.089 6.080 -10.139) 12.219 8.110 ( -6.908 -2.601 3.203) 8.047 8.277 ( -9.412 -0.084 -12.455) 15.612 8.802 ( 69.650 -0.975 0.206) 69.658 8.812 ( 68.330 -2.212 -0.690) 68.369 9.471 ( -0.593 -1.301 8.014) 8.141 9.617 ( -0.852 -1.870 -6.745) 7.051 10.017 ( 42.059 -0.005 1.858) 42.100 10.045 ( 37.384 2.440 -1.038) 37.478 10.316 ( -12.909 -1.118 3.321) 13.376 10.395 ( -13.579 -4.801 -5.077) 15.271 12.033 ( -8.794 1.249 10.291) 13.594 12.237 ( -6.249 1.188 -10.574) 12.339 13.054 ( -13.954 -0.536 9.660) 16.980 13.251 ( -12.898 0.436 -10.795) 16.825 13.664 ( 14.723 3.014 7.127) 16.633 13.800 ( 13.187 2.887 -6.904) 15.163 14.174 ( -6.911 0.178 2.694) 7.420 14.233 ( -9.423 -0.219 -3.380) 10.014 14.974 ( -21.571 3.506 16.517) 27.393 15.256 ( -25.499 3.977 -12.740) 28.781 18.641 ( 13.305 6.569 17.488) 22.934 19.029 ( 20.202 3.800 -22.980) 30.833 20.881 ( 32.147 13.280 24.459) 42.521 21.332 ( 27.173 22.057 -22.156) 41.422 22.216 ( 13.288 -3.913 9.025) 16.532 22.441 ( 7.679 -18.833 -15.154) 25.363 23.170 ( 2.488 -10.018 9.438) 13.987 23.352 ( 2.120 -7.536 -9.446) 12.268 ======================= Grid point 428 (125/171) ======================= q-point: ( 0.21 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 6.353 0.075 7.221) 9.618 2.101 ( 6.291 -4.064 1.467) 7.632 2.569 ( 13.663 2.548 3.954) 14.450 2.681 ( 9.975 1.886 -7.712) 12.749 3.374 ( 11.729 -2.030 5.348) 13.050 3.565 ( 9.489 -1.907 -13.244) 16.404 3.750 ( -0.401 3.230 8.256) 8.874 3.857 ( -3.106 -1.836 -2.146) 4.198 4.353 ( 2.763 10.282 4.515) 11.564 4.381 ( -4.868 7.909 2.800) 9.700 4.891 ( -6.292 0.281 1.386) 6.449 4.971 ( -5.103 -3.394 -4.396) 7.542 5.876 ( 16.026 -13.372 -0.417) 20.876 5.945 ( 18.782 -13.231 -6.094) 23.769 6.498 ( 2.715 -2.759 5.299) 6.562 6.540 ( 2.149 -5.223 0.923) 5.723 7.506 ( -2.187 6.121 2.348) 6.911 7.597 ( 0.292 2.315 -7.596) 7.946 7.827 ( 11.205 0.331 15.555) 19.173 8.083 ( 10.609 3.635 -5.054) 12.300 8.210 ( 7.630 -3.824 -0.602) 8.555 8.307 ( 20.324 -3.867 -7.316) 21.944 9.402 ( -0.692 -0.602 7.637) 7.692 9.538 ( 0.626 -1.093 -6.684) 6.802 10.022 ( -3.908 0.616 4.380) 5.902 10.049 ( 6.848 -2.197 1.259) 7.301 10.206 ( 61.071 1.954 0.551) 61.105 10.242 ( 42.890 2.063 -3.253) 43.062 10.941 ( 44.576 -2.070 1.351) 44.644 10.979 ( 44.339 -5.325 -2.492) 44.727 11.823 ( -10.504 1.666 12.725) 16.584 12.067 ( -9.840 2.239 -12.114) 15.767 12.780 ( -13.648 -0.592 8.706) 16.199 12.973 ( -14.463 1.128 -11.270) 18.370 13.830 ( 2.050 7.775 2.758) 8.501 13.881 ( -4.398 6.612 -2.206) 8.242 14.090 ( 1.462 -1.080 3.816) 4.226 14.162 ( 5.381 -2.835 -3.575) 7.055 14.659 ( -8.290 3.738 9.718) 13.309 14.836 ( -14.688 4.388 -8.360) 17.461 18.750 ( 4.469 8.756 21.917) 24.021 19.226 ( 6.194 7.966 -27.700) 29.481 21.250 ( 16.865 12.874 18.048) 27.854 21.569 ( 14.059 20.285 -15.592) 29.193 22.514 ( 11.611 -8.348 9.112) 16.957 22.689 ( 6.369 -14.190 -9.375) 18.161 23.279 ( 0.382 -11.329 7.966) 13.855 23.429 ( -0.996 -9.695 -7.556) 12.332 ======================= Grid point 429 (126/171) ======================= q-point: ( 0.29 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 4.560 -5.275 5.343) 8.784 2.231 ( 4.137 -5.694 -1.792) 7.263 2.753 ( 6.937 2.064 1.320) 7.357 2.815 ( 4.927 0.433 -5.830) 7.645 3.545 ( -2.220 0.647 4.431) 4.998 3.557 ( 1.320 -4.169 3.556) 5.637 3.770 ( -2.655 -2.505 0.860) 3.750 3.886 ( 4.652 -2.422 -10.982) 12.170 4.230 ( -2.944 9.181 4.437) 10.613 4.277 ( -0.665 13.669 -1.066) 13.727 4.846 ( 1.789 2.714 2.585) 4.153 4.910 ( -0.916 -0.189 -3.180) 3.315 6.194 ( 2.052 -3.547 3.037) 5.100 6.249 ( 2.889 -6.215 -2.679) 7.359 6.741 ( 18.518 -13.557 5.042) 23.497 6.798 ( 23.579 -8.687 -1.481) 25.172 7.411 ( -1.741 5.233 6.223) 8.315 7.563 ( -2.057 -0.593 -10.180) 10.403 8.037 ( 8.959 -0.951 10.530) 13.858 8.226 ( 7.030 -2.703 -6.842) 10.176 8.568 ( 21.209 -1.141 2.852) 21.431 8.689 ( 14.056 -4.455 -9.534) 17.559 9.406 ( 1.144 -1.764 7.469) 7.760 9.536 ( -0.885 -2.233 -6.154) 6.606 9.948 ( 1.930 0.888 5.801) 6.178 10.009 ( 0.301 -2.647 -0.538) 2.717 11.079 ( 21.149 15.487 5.587) 26.802 11.140 ( 32.239 13.577 -0.806) 34.990 11.445 ( 4.747 -0.071 8.660) 9.875 11.655 ( 6.316 -1.452 -11.230) 12.966 11.903 ( 19.253 -8.467 3.921) 21.395 11.969 ( 14.345 -8.587 -2.334) 16.881 12.655 ( 6.436 -0.508 2.535) 6.936 12.752 ( -3.408 1.526 -7.894) 8.733 13.663 ( -7.438 4.637 5.756) 10.486 13.770 ( -2.707 4.417 -5.980) 7.912 14.200 ( 6.490 3.720 5.168) 9.092 14.283 ( 3.267 1.551 -3.264) 4.872 14.608 ( 4.861 2.362 1.397) 5.582 14.646 ( -1.722 1.112 -2.191) 3.000 18.724 ( -0.413 8.062 23.047) 24.420 19.214 ( -0.485 8.380 -27.740) 28.982 21.394 ( 6.556 8.266 13.217) 16.911 21.627 ( 4.582 12.385 -11.364) 17.422 22.763 ( 8.861 -6.015 7.126) 12.864 22.890 ( 5.929 -8.632 -6.185) 12.163 23.332 ( -2.487 -10.032 6.361) 12.136 23.446 ( -3.385 -8.152 -5.486) 10.393 ======================= Grid point 430 (127/171) ======================= q-point: ( 0.36 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 6.513 -8.841 1.859) 11.137 2.351 ( 4.022 -5.785 -1.743) 7.258 2.824 ( 1.662 0.110 0.276) 1.688 2.882 ( 1.641 -2.381 -6.230) 6.869 3.472 ( -2.507 -1.579 6.466) 7.112 3.598 ( -3.525 -6.958 -6.515) 10.163 3.751 ( 0.181 -2.229 10.750) 10.980 3.976 ( 2.950 -2.620 -12.141) 12.766 4.127 ( -0.951 10.952 1.865) 11.150 4.170 ( -0.454 13.415 -2.422) 13.640 4.867 ( 0.693 1.469 4.213) 4.515 4.909 ( -0.039 0.578 0.091) 0.586 6.142 ( -3.868 3.084 4.081) 6.413 6.231 ( -3.195 2.155 -4.929) 6.257 7.174 ( 9.991 -3.582 8.968) 13.895 7.298 ( 11.816 1.413 -3.936) 12.534 7.482 ( 16.870 -9.170 4.966) 19.833 7.610 ( 7.866 -7.030 -7.709) 13.066 8.156 ( -0.328 -10.434 10.892) 15.087 8.343 ( 1.311 -6.053 -6.643) 9.082 8.895 ( 9.890 0.118 -0.071) 9.891 8.983 ( 16.473 1.613 -10.015) 19.346 9.486 ( 4.779 -5.515 3.076) 7.919 9.553 ( 1.106 -3.854 -3.932) 5.616 10.075 ( 10.486 4.339 5.359) 12.550 10.117 ( 8.469 1.968 0.682) 8.721 10.895 ( -13.605 9.788 18.732) 25.135 11.198 ( -7.217 10.997 -11.114) 17.220 11.388 ( -11.543 8.884 6.150) 15.811 11.497 ( -12.930 4.573 -5.209) 14.671 12.293 ( 13.984 -5.859 1.089) 15.201 12.378 ( 10.587 -6.755 -7.085) 14.419 12.916 ( 13.642 -5.249 3.755) 15.092 12.998 ( 16.895 -5.730 -4.197) 18.327 13.565 ( 0.094 2.192 8.403) 8.685 13.730 ( 1.299 4.006 -9.395) 10.296 14.253 ( 2.518 3.966 1.946) 5.085 14.279 ( -0.069 3.977 -0.509) 4.010 14.704 ( 6.153 -0.604 2.363) 6.619 14.756 ( 7.773 1.718 -2.893) 8.470 18.641 ( -3.006 4.960 22.968) 23.689 19.121 ( -3.504 5.324 -26.693) 27.443 21.418 ( 1.186 4.600 10.412) 11.444 21.600 ( 0.055 6.353 -8.807) 10.859 22.944 ( 6.668 -2.642 5.306) 8.922 23.032 ( 3.904 -3.800 -3.768) 6.624 23.346 ( -1.484 -7.641 4.425) 8.953 23.429 ( -2.620 -5.119 -4.166) 7.101 ======================= Grid point 431 (128/171) ======================= q-point: ( 0.43 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 2.572 -2.944 1.058) 4.050 2.481 ( 5.141 -4.103 -2.416) 7.007 2.829 ( -1.644 -1.754 1.254) 2.711 2.911 ( -1.551 -4.105 -6.903) 8.180 3.462 ( -1.094 -4.547 5.778) 7.433 3.570 ( -3.979 -9.116 -4.827) 11.056 3.785 ( 1.146 -1.515 11.423) 11.580 4.011 ( -1.615 5.549 -7.195) 9.229 4.051 ( 1.421 6.110 -4.082) 7.484 4.086 ( 1.930 10.724 -4.642) 11.844 4.840 ( -3.326 -2.298 5.248) 6.625 4.888 ( -2.218 -1.536 0.510) 2.746 6.057 ( -1.844 2.667 5.518) 6.400 6.166 ( -1.160 2.244 -5.888) 6.407 7.218 ( -1.190 0.038 8.387) 8.472 7.344 ( -1.544 0.101 -5.790) 5.993 7.742 ( -3.324 -6.092 9.236) 11.553 7.874 ( 7.041 1.764 -3.674) 8.136 8.295 ( 8.237 -11.484 4.296) 14.771 8.420 ( 4.702 -8.402 -9.197) 13.315 9.007 ( 1.214 3.915 4.267) 5.917 9.163 ( 4.980 7.444 -11.564) 14.626 9.620 ( 3.278 -10.206 2.823) 11.085 9.686 ( 5.740 -5.158 -3.971) 8.679 10.098 ( -3.683 13.252 5.103) 14.671 10.153 ( -1.662 10.794 -1.378) 11.008 10.758 ( 3.625 -0.756 19.953) 20.294 11.012 ( -7.364 4.455 5.808) 10.383 11.147 ( -0.056 -0.081 -10.350) 10.351 11.192 ( -9.598 5.014 -3.958) 11.529 12.462 ( 1.050 -2.364 -2.080) 3.319 12.493 ( -0.342 -1.299 -5.571) 5.731 13.107 ( -0.890 -8.833 6.033) 10.734 13.193 ( -0.876 -4.876 -2.313) 5.467 13.588 ( -0.527 -2.028 5.466) 5.854 13.720 ( -1.281 3.154 -8.265) 8.939 14.237 ( -1.710 3.317 1.404) 3.987 14.252 ( -0.547 3.043 -0.552) 3.140 14.783 ( -0.135 -0.970 1.706) 1.967 14.820 ( -0.758 1.249 -2.126) 2.580 18.550 ( -4.418 -0.016 22.659) 23.085 19.019 ( -4.863 -0.086 -25.823) 26.277 21.396 ( -0.705 2.238 9.182) 9.477 21.557 ( -1.017 2.836 -7.754) 8.318 23.037 ( 0.933 0.035 4.166) 4.269 23.096 ( 1.824 -0.834 -1.729) 2.649 23.418 ( 5.382 -2.311 0.807) 5.912 23.441 ( 2.299 -1.081 -1.647) 3.028 ======================= Grid point 432 (129/171) ======================= q-point: (-0.50 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -1.145 1.682 2.671) 3.358 2.525 ( -0.695 4.016 -2.682) 4.878 2.775 ( -5.511 -1.928 1.595) 6.053 2.855 ( -7.132 -3.636 -6.612) 10.382 3.481 ( -0.452 -4.312 8.462) 9.508 3.605 ( -0.259 -13.627 -2.450) 13.848 3.804 ( 0.269 -0.301 9.065) 9.074 3.928 ( -1.122 6.968 -2.981) 7.662 4.016 ( 0.472 5.612 -4.223) 7.039 4.087 ( 1.319 5.676 -10.815) 12.285 4.790 ( -4.014 -4.657 6.476) 8.929 4.865 ( -1.426 -3.339 -1.180) 3.818 6.060 ( 2.541 -2.233 6.869) 7.657 6.179 ( 3.690 -0.840 -6.147) 7.219 7.171 ( -5.892 -3.745 6.211) 9.344 7.266 ( -7.123 -0.495 -4.039) 8.203 7.593 ( -11.272 -1.353 9.634) 14.890 7.792 ( -6.519 7.305 -9.314) 13.514 8.455 ( -0.363 4.581 5.285) 7.004 8.569 ( 3.812 3.261 -6.480) 8.195 8.871 ( -10.478 2.423 4.523) 11.667 9.048 ( -11.117 5.313 -11.390) 16.780 9.649 ( -7.809 4.473 1.626) 9.145 9.682 ( -2.644 0.260 -1.677) 3.142 9.984 ( 1.430 4.467 8.949) 10.103 10.115 ( 4.146 4.777 -5.109) 8.131 10.699 ( -2.778 -1.128 18.010) 18.258 10.982 ( -4.569 -1.664 -9.916) 11.044 11.185 ( 12.819 -6.198 11.339) 18.201 11.389 ( 13.050 -3.807 -9.868) 16.798 12.383 ( -8.624 -0.055 -0.112) 8.625 12.449 ( -4.023 -2.080 -7.095) 8.418 12.964 ( -21.147 -5.071 4.719) 22.252 13.026 ( -20.693 -3.295 -1.497) 21.007 13.524 ( -4.974 -1.415 5.506) 7.554 13.645 ( -2.767 -0.003 -7.574) 8.064 14.168 ( -4.604 -1.178 1.692) 5.044 14.193 ( -3.579 -0.333 -1.127) 3.767 14.701 ( -7.900 -0.857 1.664) 8.118 14.734 ( -6.296 -0.066 -1.772) 6.541 18.474 ( -5.581 -6.030 22.511) 23.964 18.939 ( -5.843 -6.663 -25.488) 26.985 21.353 ( -3.271 0.389 8.893) 9.483 21.511 ( -3.289 0.285 -7.598) 8.284 22.999 ( -3.293 1.331 6.057) 7.022 23.109 ( -0.530 1.705 -5.104) 5.407 23.526 ( 7.347 4.161 2.761) 8.883 23.575 ( 10.238 3.983 -2.221) 11.208 ======================= Grid point 433 (130/171) ======================= q-point: (-0.43 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -8.036 6.981 4.898) 11.718 2.436 ( -4.015 7.352 -2.462) 8.731 2.643 ( -9.949 -3.248 1.442) 10.565 2.714 ( -10.275 -6.645 -6.620) 13.912 3.518 ( 2.296 -1.534 13.236) 13.521 3.692 ( -2.091 -5.310 0.047) 5.707 3.823 ( -0.300 -5.598 10.731) 12.107 3.881 ( 2.324 4.091 -2.897) 5.525 3.988 ( -2.715 -2.333 -9.581) 10.228 4.038 ( -1.490 4.531 -11.551) 12.497 4.763 ( -1.083 -3.422 8.685) 9.397 4.896 ( 3.136 -1.966 -4.619) 5.919 6.171 ( 5.038 -5.509 8.809) 11.547 6.326 ( 9.031 -2.612 -7.278) 11.889 6.962 ( -16.950 -0.627 5.853) 17.943 7.084 ( -10.477 6.313 -4.817) 13.146 7.400 ( -5.794 4.785 11.030) 13.346 7.654 ( -2.013 7.436 -13.407) 15.463 8.166 ( -17.956 10.451 8.347) 22.390 8.401 ( -15.928 8.055 -15.294) 23.505 8.629 ( -12.365 3.854 9.319) 15.956 8.812 ( -11.558 2.773 -8.663) 14.707 9.474 ( -5.297 3.171 8.579) 10.569 9.622 ( -0.993 2.005 -6.744) 7.106 9.991 ( 2.909 5.778 11.455) 13.155 10.164 ( 5.296 8.360 -6.904) 12.067 10.671 ( -13.849 -10.515 11.898) 21.070 10.816 ( -22.268 -7.307 -3.030) 23.631 11.372 ( 1.478 -4.674 8.712) 9.997 11.587 ( 4.021 -5.118 -12.807) 14.366 12.147 ( -22.995 7.776 3.730) 24.559 12.232 ( -30.821 8.556 -4.053) 32.242 12.567 ( -12.656 -8.694 0.314) 15.358 12.604 ( -0.889 -10.116 -4.246) 11.007 13.519 ( 1.826 -4.077 6.465) 7.859 13.637 ( -0.424 -3.354 -6.396) 7.235 14.071 ( -6.158 -4.717 4.856) 9.152 14.162 ( -2.134 -6.086 -4.522) 7.877 14.557 ( -6.104 -1.011 4.036) 7.387 14.629 ( -3.307 -0.183 -3.433) 4.770 18.412 ( -7.805 -12.406 22.618) 26.952 18.880 ( -7.900 -13.541 -25.689) 30.094 21.234 ( -10.563 -1.984 9.018) 14.030 21.394 ( -10.715 -3.168 -7.761) 13.604 22.902 ( -5.054 3.355 7.914) 9.972 23.054 ( -3.024 3.795 -7.794) 9.181 23.633 ( 7.839 9.044 6.145) 13.454 23.740 ( 11.391 9.939 -4.919) 15.898 ======================= Grid point 434 (131/171) ======================= q-point: (-0.36 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -10.998 5.430 7.761) 14.515 2.263 ( -8.211 7.330 -5.264) 12.200 2.449 ( -12.553 -4.638 3.856) 13.926 2.552 ( -11.570 -6.714 -7.557) 15.364 3.498 ( -8.813 6.409 9.805) 14.659 3.615 ( -0.475 1.209 5.734) 5.880 3.734 ( -9.565 -0.264 3.797) 10.294 3.899 ( -2.840 2.980 -11.680) 12.385 4.032 ( 5.576 -8.581 -0.090) 10.234 4.093 ( 4.139 -10.940 -4.413) 12.502 4.825 ( 5.164 -3.837 10.125) 11.996 5.012 ( 6.850 -1.295 -7.514) 10.250 6.222 ( -7.819 1.599 9.732) 12.586 6.362 ( -11.167 8.775 -3.658) 14.666 6.732 ( 3.932 7.245 1.299) 8.344 6.790 ( -7.475 15.017 -4.473) 17.361 7.309 ( -3.591 -2.483 10.884) 11.727 7.529 ( -11.043 0.751 -11.182) 15.734 7.827 ( -7.915 2.539 8.919) 12.191 8.067 ( -13.299 3.831 -11.260) 17.841 8.322 ( -13.038 5.715 2.900) 14.528 8.472 ( -17.660 6.590 -9.624) 21.164 9.425 ( -0.213 0.138 10.849) 10.852 9.592 ( -4.884 0.410 -6.659) 8.268 9.996 ( -9.487 -0.205 10.053) 13.824 10.088 ( -44.377 -5.715 2.522) 44.814 10.178 ( -15.729 0.397 -1.847) 15.842 10.206 ( -17.199 9.029 -2.555) 19.593 11.087 ( -38.999 7.769 6.375) 40.273 11.237 ( -36.383 11.927 -8.901) 39.309 11.729 ( 3.131 -4.928 9.846) 11.447 11.930 ( 6.492 -7.483 -10.421) 14.379 12.742 ( 14.674 -5.249 4.796) 16.306 12.862 ( 14.546 -7.993 -7.675) 18.286 13.562 ( -5.186 -8.629 2.674) 10.417 13.631 ( -4.633 -8.200 -4.160) 10.296 14.062 ( 3.236 -4.075 7.739) 9.326 14.185 ( 0.953 -3.270 -4.364) 5.536 14.528 ( 2.182 -3.540 6.144) 7.419 14.656 ( 5.337 -6.166 -6.503) 10.430 18.330 ( -12.505 -18.681 22.893) 32.085 18.806 ( -12.439 -19.860 -26.365) 35.274 20.938 ( -23.520 -5.822 9.695) 26.098 21.109 ( -23.672 -8.755 -8.239) 26.550 22.757 ( -6.503 6.170 9.812) 13.290 22.942 ( -4.913 5.780 -9.384) 12.067 23.687 ( 5.939 13.850 9.161) 17.636 23.863 ( 10.447 15.973 -8.947) 21.079 ======================= Grid point 435 (132/171) ======================= q-point: (-0.29 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -12.804 2.197 11.312) 17.226 2.024 ( -11.882 5.106 -2.711) 13.214 2.229 ( -12.358 -1.407 2.877) 12.767 2.357 ( -12.404 -4.468 -12.024) 17.844 3.205 ( -12.773 8.834 7.541) 17.264 3.420 ( -13.302 8.592 -12.852) 20.395 3.687 ( 0.593 -4.437 14.667) 15.335 3.858 ( -2.251 -2.622 -2.382) 4.197 4.143 ( -0.650 -7.421 5.512) 9.267 4.260 ( 3.514 -9.838 -5.018) 11.590 4.986 ( 4.562 -6.676 7.477) 11.013 5.095 ( -2.568 2.002 -1.583) 3.620 5.779 ( -22.267 10.591 5.153) 25.190 5.951 ( -18.969 17.028 -10.767) 27.671 6.681 ( 0.875 9.420 4.145) 10.329 6.789 ( 4.322 14.491 -6.262) 16.367 7.249 ( -10.961 -15.455 15.671) 24.588 7.342 ( -7.080 -9.741 3.028) 12.417 7.651 ( -16.266 3.663 -1.884) 16.779 7.753 ( -13.286 0.557 -3.756) 13.817 8.146 ( 1.181 -0.181 4.226) 4.392 8.342 ( 9.073 6.161 -16.457) 19.777 8.896 ( -55.730 5.106 3.747) 56.089 8.965 ( -52.372 7.339 -2.997) 52.968 9.548 ( -0.142 2.608 11.812) 12.098 9.698 ( -6.740 0.422 -3.419) 7.569 9.895 ( -25.952 -5.899 3.778) 26.881 10.004 ( -18.007 -0.222 -7.222) 19.403 10.500 ( 0.867 13.756 11.745) 18.109 10.738 ( 0.777 18.264 -12.779) 22.304 11.938 ( 9.382 -5.299 10.230) 14.858 12.136 ( 7.557 -5.989 -9.943) 13.851 13.058 ( 14.139 -2.196 6.155) 15.576 13.189 ( 13.144 -5.733 -7.329) 16.104 13.437 ( -12.997 -11.218 4.643) 17.785 13.550 ( -11.076 -12.226 -7.355) 18.062 14.179 ( 4.585 0.717 5.620) 7.289 14.270 ( 6.946 1.369 -3.205) 7.771 14.725 ( 14.418 -11.891 12.807) 22.656 14.962 ( 18.207 -15.056 -11.406) 26.235 18.165 ( -20.728 -23.977 22.845) 39.070 18.646 ( -20.843 -23.394 -27.064) 41.402 20.387 ( -39.851 -11.912 11.107) 43.051 20.581 ( -40.585 -17.042 -9.359) 45.002 22.560 ( -7.703 10.884 12.698) 18.413 22.789 ( -5.827 7.390 -10.744) 14.283 23.672 ( 4.436 18.592 10.560) 21.836 23.912 ( 8.832 23.470 -14.318) 28.877 ======================= Grid point 436 (133/171) ======================= q-point: (-0.21 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -13.390 0.734 18.442) 22.802 1.730 ( -14.427 6.395 5.951) 16.865 1.987 ( -12.652 1.366 -3.201) 13.122 2.155 ( -10.613 -3.213 -21.352) 24.060 2.938 ( -7.522 8.916 8.472) 14.417 3.123 ( -9.157 10.339 -9.125) 16.553 3.698 ( -4.643 -3.095 8.246) 9.957 3.794 ( -7.284 -2.278 -2.107) 7.918 4.093 ( -10.490 0.533 16.079) 19.206 4.309 ( -3.491 -1.233 -1.204) 3.893 4.698 ( -19.908 8.825 10.890) 24.348 4.966 ( -16.968 1.196 -12.745) 21.255 5.477 ( -7.421 -2.942 -0.561) 8.003 5.598 ( -10.085 -7.793 -10.754) 16.676 6.567 ( -10.241 3.979 5.765) 12.407 6.696 ( -6.723 10.737 -8.038) 15.003 7.108 ( -15.108 -12.515 11.781) 22.883 7.195 ( -17.822 -8.023 -0.504) 19.551 7.364 ( -8.526 -2.180 14.327) 16.814 7.554 ( -19.000 -3.695 -3.235) 19.624 7.954 ( -14.884 11.799 11.581) 22.246 8.105 ( -5.880 3.867 0.321) 7.044 8.363 ( 2.180 -0.395 -0.655) 2.310 8.512 ( 6.974 3.600 -14.732) 16.692 9.374 ( -12.717 0.061 2.145) 12.897 9.413 ( -12.141 1.644 -1.903) 12.398 9.687 ( 6.176 4.963 10.246) 12.952 9.893 ( 9.242 14.054 -8.319) 18.765 10.661 ( 15.174 4.006 6.226) 16.883 10.824 ( 14.242 9.528 -10.320) 20.003 12.089 ( 1.455 -3.829 7.872) 8.874 12.260 ( 0.239 -3.729 -9.702) 10.397 13.248 ( -10.467 -10.000 9.429) 17.277 13.305 ( 10.140 -0.633 7.907) 12.874 13.421 ( -8.674 -11.094 -8.544) 16.472 13.459 ( 9.945 -2.031 -7.662) 12.718 14.246 ( 2.462 -1.674 6.319) 6.985 14.367 ( 3.700 0.663 -6.384) 7.408 15.258 ( 28.403 -16.894 15.870) 36.661 15.539 ( 27.247 -20.595 -13.325) 36.662 17.827 ( -33.256 -25.890 21.003) 47.089 18.272 ( -34.727 -19.039 -25.082) 46.878 19.590 ( -52.714 -20.885 9.169) 57.437 19.766 ( -59.806 -27.325 -9.513) 66.437 22.305 ( -8.071 17.502 17.774) 26.218 22.623 ( -5.214 9.228 -14.302) 17.802 23.605 ( 3.592 22.376 8.561) 24.226 23.865 ( 6.649 33.663 -19.383) 39.410 ======================= Grid point 437 (134/171) ======================= q-point: (-0.14 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -11.966 1.047 22.666) 25.652 1.389 ( -11.169 5.912 20.451) 24.040 1.724 ( -12.203 3.585 -11.564) 17.190 2.015 ( -5.984 -4.324 -29.093) 30.016 2.806 ( 1.366 11.101 16.735) 20.129 2.944 ( -2.662 8.617 -0.279) 9.023 3.376 ( -23.493 14.995 14.425) 31.383 3.639 ( -6.881 1.058 -9.266) 11.590 3.732 ( -15.672 1.049 14.235) 21.198 4.143 ( -17.672 8.275 -19.653) 27.695 4.420 ( -8.026 -2.875 10.460) 13.494 4.671 ( -4.890 -5.055 -11.202) 13.227 5.490 ( 0.864 -12.211 1.008) 12.282 5.578 ( -0.290 -14.676 -5.498) 15.675 6.137 ( -27.271 -2.823 2.404) 27.522 6.212 ( -30.673 -2.078 -5.644) 31.257 6.916 ( -4.820 8.531 4.549) 10.803 6.936 ( -7.195 13.991 2.962) 16.009 7.391 ( 12.211 -7.420 7.332) 16.060 7.479 ( 11.023 -1.597 -2.449) 11.404 8.029 ( 1.350 -10.006 11.789) 15.521 8.177 ( -12.060 -10.251 -5.539) 16.769 8.399 ( 10.180 -7.406 13.079) 18.153 8.535 ( 1.671 -3.666 -0.765) 4.101 9.334 ( 9.091 -0.169 6.991) 11.469 9.506 ( 15.181 3.351 -10.780) 18.918 9.900 ( 29.531 15.526 13.577) 36.021 10.093 ( 25.563 20.704 -4.585) 33.214 10.934 ( 12.902 -1.199 4.864) 13.840 11.105 ( 18.510 -0.626 -12.354) 22.263 11.972 ( -19.888 -5.587 4.034) 21.048 12.121 ( -19.297 -5.976 -10.691) 22.856 13.228 ( 3.904 -4.543 12.643) 13.990 13.431 ( 6.137 -6.093 -5.449) 10.222 13.492 ( 8.034 -0.091 7.461) 10.965 13.656 ( 11.757 0.404 -6.294) 13.342 14.294 ( -0.322 -5.412 5.780) 7.925 14.411 ( -0.188 -3.556 -6.501) 7.412 15.930 ( 20.069 -16.108 13.783) 29.192 16.164 ( 8.864 -28.234 -11.376) 31.704 17.298 ( -27.093 -19.715 15.070) 36.740 17.612 ( -33.957 -8.399 -17.642) 39.177 18.677 ( -70.807 -33.209 0.452) 78.209 18.716 ( -53.134 -23.406 -3.210) 58.149 22.029 ( -5.320 21.527 22.518) 31.603 22.457 ( -3.381 14.490 -20.862) 25.625 23.497 ( 2.099 23.903 3.469) 24.245 23.684 ( 2.873 43.995 -18.933) 47.982 ======================= Grid point 438 (135/171) ======================= q-point: (-0.07 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 0.000 8.044 23.856) 25.176 1.341 ( -0.000 -5.198 35.756) 36.132 1.543 ( 0.000 4.235 -20.366) 20.802 1.992 ( -0.000 -4.714 -29.034) 29.414 2.784 ( 0.000 20.094 49.025) 52.983 2.869 ( 0.000 4.594 6.294) 7.792 2.971 ( 0.000 4.474 -4.391) 6.269 3.554 ( -0.000 -0.688 3.903) 3.963 3.628 ( -0.000 -1.852 -3.731) 4.165 3.732 ( 0.000 15.433 -45.049) 47.619 4.414 ( -0.000 -6.350 19.248) 20.269 4.676 ( -0.000 -3.132 -7.868) 8.468 5.604 ( -0.000 -9.943 1.948) 10.132 5.743 ( -0.000 -12.288 -10.885) 16.416 5.843 ( -0.000 -4.718 1.805) 5.051 5.879 ( -0.000 -4.956 -1.835) 5.285 6.740 ( 0.000 19.016 5.330) 19.749 6.795 ( 0.000 11.384 -0.176) 11.385 7.710 ( -0.000 -12.083 3.177) 12.494 7.773 ( -0.000 -8.496 -3.594) 9.225 7.894 ( 0.000 0.231 1.881) 1.895 7.930 ( 0.000 0.069 -1.762) 1.763 8.621 ( -0.000 -9.338 6.497) 11.376 8.651 ( -0.000 -11.561 3.634) 12.119 9.475 ( -0.000 -5.715 7.076) 9.096 9.639 ( -0.000 -0.335 -9.736) 9.741 10.344 ( 0.000 14.942 9.548) 17.732 10.525 ( 0.000 12.088 -9.305) 15.254 11.321 ( 0.000 1.258 12.768) 12.830 11.339 ( -0.000 -13.871 17.418) 22.266 11.608 ( 0.000 0.761 -17.104) 17.121 11.666 ( -0.000 -10.714 -16.533) 19.701 13.329 ( -0.000 -1.098 12.040) 12.090 13.561 ( -0.000 -2.812 -11.775) 12.106 13.619 ( 0.000 0.211 19.294) 19.295 13.951 ( 0.000 0.134 -15.335) 15.336 14.318 ( -0.000 -7.715 5.366) 9.398 14.426 ( -0.000 -7.699 -5.734) 9.600 15.847 ( -0.000 -10.959 18.373) 21.393 16.180 ( -0.000 -14.724 -15.911) 21.679 17.607 ( -0.000 -47.839 27.718) 55.289 17.701 ( -0.000 -0.305 3.162) 3.177 17.761 ( -0.000 -0.273 -2.933) 2.945 18.010 ( -0.000 -25.491 -16.971) 30.624 21.833 ( 0.000 17.179 22.164) 28.042 22.283 ( 0.000 25.904 -25.581) 36.407 23.338 ( 0.000 31.628 -0.973) 31.643 23.413 ( 0.000 30.130 -7.999) 31.174 ======================= Grid point 441 (136/171) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 4.459 0.000 5.536) 7.108 2.062 ( 7.006 0.000 4.409) 8.278 2.587 ( 13.298 0.000 3.361) 13.716 2.693 ( 9.278 0.000 -7.598) 11.992 3.360 ( 11.131 0.000 5.261) 12.311 3.551 ( 10.880 0.000 -13.745) 17.530 3.787 ( -1.900 -0.000 5.958) 6.254 3.833 ( -3.560 -0.000 1.580) 3.895 4.435 ( 4.593 0.000 3.429) 5.732 4.443 ( -5.107 -0.000 4.561) 6.847 4.894 ( -6.153 -0.000 -1.738) 6.394 4.935 ( -2.242 -0.000 -2.753) 3.550 5.773 ( 14.990 0.000 -0.906) 15.018 5.847 ( 18.384 0.000 -7.090) 19.704 6.486 ( -0.184 -0.000 4.354) 4.358 6.497 ( 5.972 0.000 1.853) 6.253 7.551 ( 0.308 0.000 0.248) 0.396 7.614 ( -4.140 -0.000 -6.858) 8.011 7.828 ( 12.745 0.000 19.387) 23.201 8.134 ( 1.816 0.000 -10.596) 10.751 8.157 ( 15.510 0.000 4.801) 16.236 8.280 ( 19.422 0.000 -7.592) 20.853 9.398 ( -0.954 -0.000 6.925) 6.990 9.531 ( -0.030 -0.000 -7.064) 7.064 10.026 ( -6.061 -0.000 2.874) 6.708 10.033 ( 9.240 0.000 1.755) 9.406 10.222 ( 62.610 0.000 0.413) 62.612 10.254 ( 45.903 0.000 -2.997) 46.001 10.931 ( 42.723 0.000 -0.156) 42.724 10.937 ( 46.603 0.000 -0.468) 46.605 11.835 ( -11.449 -0.000 13.079) 17.382 12.082 ( -10.348 -0.000 -12.181) 15.983 12.775 ( -13.469 -0.000 9.314) 16.375 12.980 ( -14.453 -0.000 -11.900) 18.722 13.893 ( 2.480 0.000 2.590) 3.586 13.929 ( -8.764 -0.000 -0.788) 8.799 14.079 ( 2.734 0.000 2.411) 3.645 14.137 ( 7.621 0.000 -3.428) 8.356 14.687 ( -9.241 -0.000 10.011) 13.624 14.868 ( -15.831 -0.000 -8.498) 17.967 18.812 ( 3.199 0.000 21.460) 21.697 19.282 ( 5.686 0.000 -27.499) 28.081 21.357 ( 13.770 0.000 21.443) 25.483 21.746 ( 9.307 0.000 -19.401) 21.518 22.481 ( 13.644 0.000 1.616) 13.739 22.516 ( 8.587 0.000 -1.826) 8.779 23.197 ( 2.544 0.000 8.754) 9.116 23.360 ( 0.781 0.000 -8.070) 8.107 ======================= Grid point 442 (137/171) ======================= q-point: ( 0.21 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 1.947 -1.752 5.741) 6.311 2.175 ( 4.305 -2.139 -0.925) 4.896 2.767 ( 5.369 0.296 -0.458) 5.397 2.812 ( 3.053 -0.451 -6.053) 6.794 3.509 ( 3.634 -1.657 5.118) 6.492 3.564 ( -5.722 0.814 0.119) 5.781 3.746 ( -2.402 -0.828 3.238) 4.116 3.865 ( 4.476 -0.669 -9.470) 10.496 4.321 ( -3.831 3.515 8.146) 9.664 4.423 ( -2.330 5.808 -3.169) 7.015 4.878 ( 2.418 1.474 -0.430) 2.864 4.908 ( 0.691 -0.168 -2.748) 2.838 6.136 ( 12.666 -3.185 1.448) 13.140 6.182 ( 9.686 -2.780 -2.787) 10.455 6.594 ( 15.019 -5.853 8.795) 18.362 6.715 ( 19.304 -3.000 -4.385) 20.021 7.483 ( -3.553 3.998 2.848) 6.060 7.552 ( -3.243 -1.201 -5.507) 6.503 8.028 ( 5.683 -0.420 11.177) 12.546 8.207 ( 6.186 -0.471 -4.730) 7.802 8.557 ( 23.296 -0.357 0.691) 23.309 8.641 ( 14.434 -1.910 -8.826) 17.026 9.389 ( 0.284 -0.650 6.443) 6.482 9.518 ( -0.702 -0.546 -6.920) 6.977 9.963 ( 2.776 1.006 4.151) 5.094 9.982 ( 1.547 -1.297 2.053) 2.879 11.273 ( 29.948 11.209 2.832) 32.102 11.315 ( 41.792 8.923 -1.928) 42.777 11.415 ( 6.272 -4.100 9.543) 12.133 11.603 ( 12.903 -4.839 -7.221) 15.558 11.808 ( 15.646 -4.067 4.384) 16.750 11.881 ( -4.598 -3.323 -3.712) 6.779 12.645 ( 4.881 -0.531 3.197) 5.859 12.763 ( -4.530 0.236 -9.128) 10.193 13.710 ( -9.302 1.749 5.779) 11.090 13.815 ( -3.920 1.685 -5.870) 7.257 14.240 ( 8.156 1.848 3.722) 9.154 14.289 ( 4.384 -0.347 -1.151) 4.546 14.635 ( 4.587 1.141 0.287) 4.736 14.659 ( -4.340 0.592 -1.847) 4.753 18.802 ( -2.535 2.872 22.992) 23.309 19.294 ( -2.404 2.918 -28.083) 28.336 21.492 ( 3.541 4.385 15.833) 16.806 21.781 ( -0.524 7.300 -14.763) 16.477 22.700 ( 10.635 -1.679 4.465) 11.656 22.763 ( 9.994 -7.710 -2.263) 12.824 23.233 ( -0.289 -3.578 7.209) 8.053 23.368 ( -1.020 -2.841 -6.589) 7.247 ======================= Grid point 443 (138/171) ======================= q-point: ( 0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 6.197 -5.959 3.837) 9.415 2.284 ( 5.279 -3.565 -3.578) 7.306 2.811 ( -0.413 -1.329 -2.483) 2.847 2.837 ( -1.275 -3.230 -6.142) 7.056 3.465 ( -3.205 0.287 4.056) 5.178 3.530 ( -2.680 -2.819 -2.248) 4.493 3.726 ( 0.210 -1.309 10.261) 10.346 3.948 ( 3.524 -1.384 -12.159) 12.735 4.248 ( -1.091 6.132 5.455) 8.279 4.330 ( -1.834 8.148 -3.337) 8.994 4.886 ( -1.478 1.289 2.263) 2.994 4.915 ( -1.056 0.129 -0.215) 1.086 6.190 ( -1.589 3.781 2.701) 4.910 6.254 ( -0.919 0.792 -3.522) 3.725 7.100 ( 21.504 -6.110 10.682) 24.776 7.261 ( 27.168 -6.357 -6.062) 28.553 7.420 ( 1.739 1.038 2.538) 3.247 7.517 ( 0.795 -5.035 -7.538) 9.100 8.038 ( -5.043 -6.107 14.641) 16.646 8.297 ( 0.684 -1.282 -9.019) 9.136 8.888 ( 12.062 -0.631 2.327) 12.300 9.015 ( 22.037 2.211 -9.271) 24.010 9.423 ( 2.270 -3.154 2.978) 4.896 9.517 ( 0.118 -1.452 -6.638) 6.796 10.120 ( 12.923 2.098 5.573) 14.229 10.140 ( 12.664 1.106 3.255) 13.122 11.009 ( -18.965 5.759 18.170) 26.888 11.326 ( -14.406 6.089 -13.516) 20.671 11.514 ( -14.158 7.894 4.661) 16.867 11.590 ( -8.067 8.695 -2.737) 12.173 12.196 ( 18.614 -7.665 1.663) 20.199 12.270 ( 17.837 -7.408 -5.162) 19.992 12.852 ( 8.457 -3.373 1.361) 9.206 12.917 ( 13.631 -4.772 -4.545) 15.140 13.593 ( -1.703 1.508 9.532) 9.800 13.775 ( 0.519 2.213 -10.143) 10.395 14.302 ( 1.931 2.864 1.703) 3.852 14.322 ( 0.493 2.008 -0.133) 2.072 14.697 ( 5.874 -0.378 3.999) 7.116 14.779 ( 7.845 1.436 -4.484) 9.149 18.696 ( -5.918 2.734 23.045) 23.950 19.180 ( -6.617 2.892 -27.023) 27.971 21.482 ( -0.634 4.000 11.726) 12.405 21.692 ( -2.949 5.780 -10.323) 12.193 22.907 ( 8.897 -2.262 4.395) 10.178 22.976 ( 7.150 -3.848 -2.805) 8.591 23.253 ( 0.535 -4.910 6.358) 8.051 23.371 ( -0.307 -2.962 -5.748) 6.474 ======================= Grid point 444 (139/171) ======================= q-point: ( 0.36 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 6.999 -5.239 1.259) 8.832 2.427 ( 7.048 -3.061 -2.204) 7.994 2.793 ( -2.926 -3.111 -2.422) 4.910 2.823 ( -3.737 -7.446 -6.333) 10.466 3.425 ( -1.854 -0.673 3.253) 3.805 3.478 ( -3.981 -3.692 -2.270) 5.885 3.765 ( 2.216 -1.362 13.168) 13.422 4.022 ( 2.750 -0.516 -12.974) 13.272 4.177 ( -0.549 8.571 2.608) 8.976 4.238 ( -1.157 8.964 -3.370) 9.647 4.804 ( -6.606 -2.465 4.856) 8.561 4.860 ( -4.717 -2.187 -0.634) 5.238 6.111 ( -2.777 4.713 4.385) 7.011 6.203 ( -1.934 2.569 -5.200) 6.114 7.211 ( -4.087 -0.923 8.883) 9.822 7.358 ( -3.202 1.921 -7.445) 8.329 7.659 ( -0.335 -5.154 13.324) 14.290 7.853 ( 15.255 -5.012 -5.939) 17.120 8.125 ( 12.664 -11.059 3.929) 17.265 8.297 ( 2.033 -7.250 -12.803) 14.853 9.066 ( 4.014 4.087 10.173) 11.675 9.289 ( 8.116 9.634 -11.679) 17.178 9.498 ( 2.149 -6.904 3.245) 7.926 9.610 ( 7.228 -5.534 -8.500) 12.455 10.261 ( 1.276 9.404 6.275) 11.377 10.311 ( 1.359 9.851 0.416) 9.953 10.743 ( 1.305 -1.228 21.916) 21.989 11.087 ( -7.473 4.626 -3.649) 9.517 11.156 ( -9.477 2.156 -2.328) 9.994 11.289 ( -12.026 8.199 -6.395) 15.898 12.412 ( 0.583 -4.489 -0.247) 4.533 12.467 ( 0.019 -2.325 -5.844) 6.289 12.981 ( -1.154 -8.076 5.912) 10.075 13.096 ( -0.470 -7.556 -5.722) 9.489 13.572 ( -1.837 -0.458 9.484) 9.671 13.752 ( -2.672 1.373 -9.626) 10.084 14.289 ( -2.362 3.608 1.193) 4.475 14.301 ( -0.791 3.363 -0.266) 3.465 14.770 ( -0.430 -0.826 3.329) 3.457 14.839 ( -1.556 1.283 -3.747) 4.255 18.549 ( -7.914 -0.019 22.598) 23.944 19.018 ( -8.695 -0.101 -25.763) 27.191 21.434 ( -1.605 2.883 9.673) 10.221 21.606 ( -2.391 3.680 -8.344) 9.428 23.038 ( 1.680 0.195 3.436) 3.830 23.080 ( 3.743 -1.327 -0.747) 4.041 23.379 ( 9.435 -2.915 1.723) 10.024 23.422 ( 4.680 -1.422 -2.723) 5.598 ======================= Grid point 445 (140/171) ======================= q-point: (-0.57 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 0.402 -0.459 3.678) 3.729 2.554 ( 2.986 0.678 -3.433) 4.601 2.739 ( -5.555 -4.199 -0.757) 7.004 2.788 ( -5.874 -5.606 -5.555) 9.838 3.398 ( -2.086 -6.105 5.488) 8.470 3.460 ( -1.091 -5.861 -0.659) 5.998 3.804 ( 1.099 0.531 11.432) 11.497 4.017 ( -1.272 4.867 -8.532) 9.904 4.120 ( -0.337 8.041 -1.140) 8.129 4.181 ( 1.032 6.983 -6.948) 9.905 4.711 ( -5.042 -6.295 6.469) 10.339 4.802 ( -2.808 -5.367 -2.877) 6.706 6.046 ( -1.211 0.355 7.692) 7.795 6.178 ( 1.261 0.654 -6.971) 7.114 7.092 ( -10.800 -6.816 8.554) 15.371 7.265 ( -5.533 0.267 -8.213) 9.907 7.577 ( -5.827 -0.587 15.515) 16.584 7.895 ( -3.243 6.899 -14.714) 16.572 8.436 ( 8.678 -6.042 4.012) 11.310 8.551 ( 9.738 -4.989 -8.555) 13.889 8.933 ( -13.076 5.043 8.310) 16.294 9.126 ( -15.897 4.938 -9.532) 19.182 9.642 ( 2.345 -1.825 3.128) 4.314 9.707 ( 0.262 1.961 -3.394) 3.929 10.113 ( -1.957 11.666 8.888) 14.796 10.223 ( 3.280 9.461 -3.381) 10.569 10.731 ( -6.392 5.358 16.118) 18.148 11.010 ( -7.380 5.172 -10.709) 13.997 11.102 ( 12.834 -5.410 12.515) 18.724 11.337 ( 11.526 -3.566 -11.318) 16.543 12.347 ( -9.586 -5.470 -0.824) 11.068 12.387 ( -7.653 -6.359 -5.276) 11.262 12.872 ( -17.499 -6.494 5.383) 19.426 12.967 ( -19.489 -4.658 -4.132) 20.459 13.503 ( -4.641 -1.357 7.913) 9.274 13.653 ( -4.952 0.562 -8.272) 9.657 14.169 ( -7.367 1.202 2.423) 7.848 14.209 ( -6.543 2.167 -1.920) 7.155 14.687 ( -7.753 -1.010 2.254) 8.137 14.732 ( -6.977 -0.226 -2.336) 7.361 18.397 ( -9.414 -4.699 22.222) 24.587 18.854 ( -10.036 -5.226 -24.880) 27.332 21.372 ( -3.758 1.925 8.824) 9.783 21.531 ( -4.125 2.177 -7.775) 9.067 23.015 ( -2.480 0.830 6.115) 6.650 23.127 ( 0.587 0.909 -5.372) 5.480 23.569 ( 9.894 2.037 2.767) 10.474 23.616 ( 13.592 1.898 -2.034) 13.874 ======================= Grid point 446 (141/171) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -7.018 1.460 5.770) 9.202 2.526 ( -2.830 5.388 -2.679) 6.650 2.615 ( -11.714 -6.629 -3.181) 13.830 2.638 ( -9.514 2.456 -2.843) 10.229 3.461 ( 2.702 -8.201 11.440) 14.333 3.532 ( 2.378 -10.066 4.008) 11.093 3.811 ( 0.433 -0.293 7.335) 7.354 3.945 ( -2.269 5.655 -8.135) 10.164 4.018 ( -5.255 5.776 -1.882) 8.032 4.133 ( -1.235 7.466 -11.051) 13.394 4.707 ( 0.199 -4.604 8.596) 9.754 4.850 ( 3.732 -4.769 -5.661) 8.290 6.078 ( 1.868 -6.934 10.203) 12.476 6.260 ( 4.806 -6.251 -9.042) 11.997 6.910 ( -11.393 -5.654 10.019) 16.191 7.130 ( -8.318 0.466 -11.603) 14.284 7.480 ( -2.236 6.378 15.641) 17.039 7.787 ( -1.263 10.882 -14.362) 18.064 8.328 ( -18.070 11.050 4.467) 21.646 8.493 ( -17.440 4.585 -11.853) 21.579 8.686 ( -6.449 2.856 7.171) 10.058 8.833 ( -9.808 0.789 -5.884) 11.464 9.531 ( -7.320 4.998 6.111) 10.766 9.647 ( -3.778 2.422 -5.962) 7.462 10.085 ( 2.822 6.163 12.604) 14.311 10.268 ( 2.392 4.740 -7.063) 8.836 10.594 ( -10.707 0.873 14.428) 17.988 10.783 ( -16.645 3.720 -4.921) 17.751 11.298 ( 1.542 -5.662 8.265) 10.136 11.510 ( 3.764 -5.480 -12.914) 14.524 12.232 ( -14.572 2.889 3.370) 15.234 12.335 ( -30.910 5.178 -5.475) 31.816 12.401 ( -15.306 -14.050 0.871) 20.796 12.443 ( -8.074 -10.931 -3.630) 14.066 13.476 ( 0.382 -2.220 7.718) 8.040 13.608 ( -1.120 -0.976 -6.762) 6.923 14.012 ( -8.567 -3.575 3.381) 9.879 14.080 ( -5.878 -5.294 -3.605) 8.693 14.547 ( -5.890 -0.438 4.388) 7.358 14.625 ( -3.937 -0.511 -3.664) 5.403 18.247 ( -12.029 -10.767 22.135) 27.397 18.699 ( -12.486 -11.858 -24.430) 29.888 21.228 ( -11.063 0.847 8.130) 13.755 21.377 ( -11.804 0.389 -7.416) 13.946 22.940 ( -4.165 2.104 8.010) 9.270 23.098 ( -2.135 2.541 -8.405) 9.036 23.740 ( 10.104 6.147 6.958) 13.722 23.857 ( 14.006 6.640 -5.203) 16.350 ======================= Grid point 447 (142/171) ======================= q-point: (-0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -12.328 4.885 6.798) 14.901 2.358 ( -13.855 1.550 -8.437) 16.295 2.401 ( -7.418 1.804 3.284) 8.311 2.476 ( -8.451 -2.450 -4.309) 9.797 3.548 ( -0.735 -2.498 17.521) 17.713 3.615 ( -0.513 -3.153 10.504) 10.979 3.740 ( -9.122 6.568 7.111) 13.301 3.886 ( -0.705 -9.182 -11.614) 14.822 3.968 ( 2.957 -0.994 -8.573) 9.122 4.033 ( -2.208 6.683 -11.751) 13.698 4.772 ( 3.314 -3.457 12.170) 13.079 4.976 ( 5.125 -3.621 -8.006) 10.173 6.159 ( -2.394 -9.384 11.878) 15.326 6.355 ( -5.241 -9.538 -7.343) 13.129 6.799 ( 0.524 2.514 6.526) 7.013 6.955 ( -5.942 6.133 -9.456) 12.741 7.364 ( -5.103 10.175 13.152) 17.394 7.597 ( -15.301 8.509 -10.588) 20.460 7.908 ( -9.860 9.085 9.465) 16.412 8.156 ( -10.854 8.362 -11.610) 17.959 8.427 ( -14.022 9.511 0.309) 16.946 8.563 ( -15.042 6.374 -9.982) 19.145 9.415 ( -3.238 -1.389 9.904) 10.512 9.560 ( -9.970 -4.590 -5.543) 12.296 9.951 ( -25.945 -6.418 6.758) 27.568 10.038 ( -29.948 -2.962 -1.400) 30.127 10.233 ( -10.283 9.175 9.009) 16.464 10.369 ( -15.869 13.393 -4.553) 21.259 11.197 ( -26.181 7.152 9.505) 28.757 11.402 ( -24.975 10.370 -10.689) 29.078 11.662 ( -7.127 -3.375 6.379) 10.143 11.816 ( 2.713 -7.982 -8.693) 12.110 12.630 ( 15.094 -10.460 2.773) 18.572 12.721 ( 14.329 -11.579 -6.414) 19.507 13.469 ( -6.336 -4.562 3.492) 8.553 13.543 ( -7.648 -4.203 -4.049) 9.621 13.982 ( 3.401 -6.985 7.234) 10.616 14.102 ( 3.150 -8.223 -4.252) 9.779 14.494 ( 0.254 -1.482 4.604) 4.843 14.593 ( 0.003 -2.649 -5.159) 5.800 18.069 ( -17.045 -17.776 22.451) 33.325 18.525 ( -17.226 -19.456 -24.450) 35.681 20.895 ( -24.150 -0.822 7.451) 25.287 21.034 ( -25.119 -2.524 -7.026) 26.205 22.826 ( -5.356 3.826 9.486) 11.546 23.013 ( -4.033 4.338 -10.002) 11.624 23.859 ( 8.168 10.495 10.912) 17.203 24.055 ( 12.875 11.282 -9.388) 19.524 ======================= Grid point 448 (143/171) ======================= q-point: (-0.36 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -12.613 4.893 8.091) 15.763 2.083 ( -12.940 1.835 -7.134) 14.890 2.229 ( -9.193 2.370 3.049) 9.971 2.321 ( -8.597 0.270 -8.171) 11.864 3.363 ( -10.289 12.622 8.722) 18.473 3.522 ( -9.685 4.137 -3.838) 11.209 3.632 ( -0.164 -3.031 16.743) 17.016 3.847 ( -4.455 2.236 -6.862) 8.482 4.038 ( -0.356 -7.262 -2.569) 7.712 4.104 ( 4.273 -11.126 -5.767) 13.240 4.865 ( 0.977 -9.035 11.206) 14.428 5.060 ( -1.375 -6.138 -7.541) 9.820 5.948 ( -21.202 9.626 11.914) 26.156 6.147 ( -15.718 7.736 -6.672) 18.746 6.768 ( -3.914 2.639 3.605) 5.940 6.905 ( -1.913 -3.888 -4.900) 6.541 7.116 ( -14.498 4.035 8.008) 17.048 7.239 ( -13.514 -2.388 -0.929) 13.754 7.704 ( -14.463 4.267 1.599) 15.164 7.816 ( -17.653 7.085 -6.361) 20.057 8.175 ( 2.362 5.228 10.102) 11.617 8.461 ( 10.028 10.771 -19.013) 24.043 8.965 ( -45.930 3.928 4.707) 46.337 9.047 ( -42.502 3.371 -3.829) 42.808 9.565 ( -1.672 -0.333 11.151) 11.280 9.679 ( -15.586 -2.095 -1.627) 15.811 9.838 ( -27.607 -1.601 5.379) 28.171 10.005 ( -9.972 -0.030 -10.331) 14.358 10.743 ( 0.812 20.217 14.616) 24.960 11.023 ( 1.041 21.676 -14.535) 26.119 11.850 ( 10.941 -7.149 10.062) 16.494 12.038 ( 9.262 -7.755 -8.987) 15.056 12.981 ( 12.623 -8.975 3.007) 15.778 13.059 ( 9.879 -12.322 -4.945) 16.549 13.300 ( -12.733 -7.229 3.875) 15.146 13.410 ( -8.787 -7.351 -7.763) 13.839 14.185 ( 7.791 -0.548 6.445) 10.127 14.253 ( 8.973 -4.810 1.469) 10.286 14.583 ( 6.866 -6.823 5.670) 11.218 14.746 ( 11.980 -14.930 -9.451) 21.348 17.820 ( -24.471 -24.365 23.200) 41.602 18.288 ( -24.322 -26.275 -25.100) 43.726 20.284 ( -40.441 -3.292 7.393) 41.243 20.422 ( -41.503 -6.487 -6.961) 42.580 22.682 ( -5.646 6.662 10.712) 13.821 22.886 ( -4.999 6.408 -10.409) 13.206 23.911 ( 6.586 15.101 14.342) 21.843 24.195 ( 11.674 16.560 -14.992) 25.205 ======================= Grid point 449 (144/171) ======================= q-point: (-0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -11.163 6.322 12.843) 18.153 1.824 ( -11.481 6.434 -1.036) 13.202 2.012 ( -11.067 2.340 -0.881) 11.345 2.143 ( -8.489 2.230 -17.099) 19.220 3.104 ( -5.345 14.323 8.827) 17.654 3.292 ( -7.100 12.832 -9.676) 17.570 3.641 ( -2.308 -4.231 11.452) 12.424 3.751 ( -6.596 -3.171 0.499) 7.335 4.025 ( -5.678 -8.034 10.530) 14.410 4.245 ( 1.721 -8.900 -8.587) 12.486 4.843 ( -20.678 4.636 7.363) 22.434 4.884 ( -14.499 -8.922 2.459) 17.201 5.449 ( -15.176 1.633 4.200) 15.831 5.666 ( -21.230 15.227 -15.696) 30.479 6.555 ( -20.805 -5.158 8.433) 23.034 6.713 ( -28.150 -13.595 -7.324) 32.108 6.898 ( -10.222 -9.484 15.295) 20.697 7.076 ( -4.853 -7.701 -2.231) 9.372 7.428 ( -5.489 7.417 4.524) 10.276 7.545 ( -8.387 3.160 -4.829) 10.181 8.122 ( -17.523 12.045 9.972) 23.486 8.214 ( -17.239 9.860 2.892) 20.069 8.390 ( -3.469 4.412 1.179) 5.735 8.582 ( 3.547 6.699 -14.923) 16.738 9.353 ( -11.166 -2.379 2.730) 11.739 9.423 ( -4.244 0.317 -4.816) 6.427 9.731 ( 9.770 1.032 15.492) 18.345 10.045 ( 12.200 6.056 -15.118) 20.349 10.789 ( 12.653 14.897 11.337) 22.595 11.020 ( 10.709 17.823 -12.570) 24.297 12.035 ( 1.803 -3.723 8.191) 9.176 12.204 ( 1.145 -4.155 -9.106) 10.075 13.059 ( -10.827 -16.149 6.413) 20.473 13.187 ( -7.519 -19.875 -6.747) 22.295 13.296 ( 10.282 -1.206 7.291) 12.662 13.452 ( 9.796 -0.278 -8.280) 12.829 14.238 ( 0.409 0.410 8.542) 8.561 14.390 ( 2.409 2.170 -7.426) 8.103 14.999 ( 25.491 -19.064 12.624) 34.243 15.232 ( 22.572 -22.022 -11.448) 33.549 17.448 ( -32.724 -27.022 23.684) 48.600 17.927 ( -33.284 -27.804 -25.837) 50.482 19.394 ( -53.845 -6.993 7.141) 54.765 19.523 ( -56.403 -9.719 -6.398) 57.590 22.511 ( -5.379 11.693 12.805) 18.155 22.740 ( -4.476 8.052 -10.731) 14.143 23.906 ( 5.427 19.690 15.910) 25.890 24.270 ( 10.196 23.364 -21.815) 33.552 ======================= Grid point 450 (145/171) ======================= q-point: (-0.21 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -6.913 7.424 20.299) 22.693 1.528 ( -11.969 11.381 11.840) 20.322 1.782 ( -9.981 4.285 -10.163) 14.875 1.984 ( -5.859 1.044 -28.493) 29.108 2.982 ( 3.298 13.878 10.976) 17.998 3.098 ( -2.763 13.040 -1.956) 13.472 3.541 ( -9.790 5.272 5.272) 12.306 3.628 ( -6.691 -2.175 -3.650) 7.926 3.809 ( -21.220 9.296 24.887) 34.001 4.193 ( -7.996 -0.636 5.179) 9.548 4.421 ( -12.294 0.303 -9.690) 15.657 4.588 ( -13.377 -5.710 -12.191) 18.978 5.353 ( -1.023 -8.718 -1.059) 8.841 5.393 ( -1.485 -7.077 -5.452) 9.056 6.048 ( -30.815 -9.567 2.899) 32.396 6.120 ( -34.537 -10.789 -4.063) 36.411 6.878 ( -1.057 -12.819 23.297) 26.612 7.140 ( 4.159 6.076 -5.430) 9.149 7.338 ( 3.112 4.349 6.545) 8.452 7.461 ( 4.276 1.706 -4.664) 6.553 7.953 ( -1.024 -1.033 6.578) 6.737 8.057 ( -6.103 -4.957 -3.944) 8.796 8.347 ( 0.943 -0.772 12.021) 12.083 8.513 ( -2.734 0.356 -3.977) 4.839 9.330 ( 5.168 0.296 8.687) 10.113 9.547 ( 10.907 2.979 -13.535) 17.636 10.069 ( 31.289 6.607 15.225) 35.418 10.348 ( 25.299 12.717 -11.301) 30.487 10.953 ( 10.785 5.717 7.509) 14.332 11.152 ( 12.661 8.322 -11.775) 19.189 11.897 ( -20.482 -4.630 3.463) 21.282 12.042 ( -20.762 -4.725 -10.679) 23.821 13.108 ( 5.068 -13.142 9.810) 17.165 13.271 ( 4.333 -16.544 -7.009) 18.483 13.488 ( 8.929 -0.297 10.421) 13.726 13.667 ( 13.291 1.161 -6.910) 15.025 14.217 ( -4.149 -4.918 7.657) 10.002 14.365 ( -5.226 -2.858 -7.849) 9.853 15.677 ( 24.341 -18.483 6.335) 31.213 15.775 ( 8.349 -24.217 -4.823) 26.066 16.990 ( -26.420 -22.490 22.166) 41.172 17.425 ( -27.868 -17.460 -22.738) 39.981 18.377 ( -54.902 -10.501 5.618) 56.179 18.481 ( -53.576 -10.951 -5.228) 54.933 22.315 ( -3.760 17.840 16.966) 24.905 22.610 ( -2.606 9.136 -13.018) 16.116 23.839 ( 3.236 23.682 14.526) 27.970 24.242 ( 6.472 32.540 -28.375) 43.656 ======================= Grid point 451 (146/171) ======================= q-point: (-0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 0.000 12.071 19.528) 22.957 1.325 ( 0.000 4.442 28.586) 28.929 1.621 ( 0.000 6.463 -17.223) 18.396 1.929 ( -0.000 -2.453 -33.182) 33.272 2.964 ( 0.000 8.725 6.229) 10.720 3.065 ( 0.000 8.907 -4.344) 9.910 3.149 ( 0.000 29.622 46.211) 54.890 3.543 ( -0.000 -0.554 2.368) 2.432 3.593 ( -0.000 -3.037 -2.662) 4.038 3.980 ( 0.000 16.944 -34.761) 38.671 4.305 ( -0.000 -8.011 14.893) 16.911 4.593 ( -0.000 -8.942 -10.280) 13.625 5.453 ( -0.000 -10.168 1.783) 10.323 5.553 ( -0.000 -13.504 -7.274) 15.339 5.745 ( -0.000 -9.188 1.559) 9.319 5.775 ( -0.000 -9.667 -1.564) 9.793 6.916 ( 0.000 0.898 13.895) 13.924 7.043 ( 0.000 21.432 -0.869) 21.449 7.495 ( -0.000 -14.624 6.081) 15.838 7.617 ( -0.000 -11.420 -5.787) 12.802 7.899 ( 0.000 0.405 1.694) 1.742 7.931 ( 0.000 0.127 -1.623) 1.628 8.446 ( -0.000 -10.544 12.650) 16.468 8.541 ( -0.000 -5.834 1.591) 6.047 9.412 ( -0.000 -2.863 10.361) 10.749 9.643 ( 0.000 1.196 -12.751) 12.807 10.573 ( 0.000 13.632 5.666) 14.763 10.671 ( 0.000 6.558 -3.029) 7.224 11.150 ( -0.000 -9.229 15.125) 17.718 11.346 ( 0.000 2.254 12.289) 12.494 11.510 ( -0.000 -8.801 -20.725) 22.516 11.623 ( 0.000 1.349 -16.543) 16.598 13.274 ( -0.000 -7.925 9.585) 12.437 13.460 ( -0.000 -12.541 -9.463) 15.711 13.623 ( 0.000 0.380 19.163) 19.167 13.954 ( 0.000 0.240 -15.291) 15.293 14.184 ( -0.000 -9.879 5.044) 11.092 14.266 ( -0.000 -13.267 -2.960) 13.593 15.707 ( -0.000 -6.386 14.352) 15.709 15.968 ( -0.000 -13.014 -12.172) 17.819 17.030 ( -0.000 -32.877 34.829) 47.895 17.598 ( -0.000 -29.946 -25.086) 39.065 17.695 ( -0.000 -0.550 3.196) 3.243 17.755 ( -0.000 -0.493 -2.964) 3.005 22.134 ( 0.000 21.815 21.342) 30.519 22.514 ( 0.000 10.908 -16.974) 20.177 23.696 ( 0.000 25.535 9.723) 27.324 24.040 ( 0.000 42.806 -29.160) 51.795 ======================= Grid point 456 (147/171) ======================= q-point: ( 0.21 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 5.908 0.000 4.660) 7.525 2.258 ( 5.574 0.000 -4.409) 7.107 2.802 ( -1.054 -0.000 -3.709) 3.856 2.810 ( -2.462 -0.000 -6.154) 6.628 3.469 ( -3.327 -0.000 3.156) 4.586 3.512 ( -2.040 -0.000 -0.518) 2.105 3.716 ( 0.082 0.000 10.334) 10.334 3.938 ( 3.609 0.000 -12.078) 12.605 4.292 ( -1.091 -0.000 6.770) 6.857 4.388 ( -2.647 -0.000 -3.583) 4.455 4.898 ( -2.479 -0.000 1.016) 2.679 4.914 ( -1.618 -0.000 -0.091) 1.621 6.231 ( 0.475 0.000 0.571) 0.743 6.250 ( -0.853 -0.000 -1.000) 1.314 7.047 ( 27.124 0.000 10.350) 29.032 7.204 ( 29.391 0.000 -6.231) 30.044 7.439 ( -0.338 -0.000 -0.596) 0.686 7.481 ( -3.573 -0.000 -5.760) 6.778 7.994 ( -6.643 -0.000 16.832) 18.096 8.290 ( 0.348 0.000 -10.535) 10.541 8.883 ( 13.456 0.000 3.847) 13.995 9.032 ( 24.159 0.000 -9.116) 25.822 9.401 ( 1.345 0.000 3.001) 3.289 9.507 ( -0.502 -0.000 -7.873) 7.889 10.135 ( 13.330 0.000 5.682) 14.491 10.148 ( 14.101 0.000 4.121) 14.691 11.050 ( -20.640 -0.000 17.803) 27.257 11.366 ( -17.219 -0.000 -14.044) 22.220 11.578 ( -16.116 -0.000 5.557) 17.047 11.675 ( -9.256 -0.000 -4.355) 10.229 12.123 ( 22.750 0.000 3.439) 23.008 12.210 ( 22.710 0.000 -4.910) 23.234 12.828 ( 6.591 0.000 0.154) 6.593 12.882 ( 12.181 0.000 -4.448) 12.968 13.604 ( -2.322 -0.000 9.824) 10.095 13.790 ( 0.110 0.000 -10.371) 10.371 14.326 ( 1.273 0.000 1.025) 1.634 14.334 ( 1.330 0.000 0.497) 1.420 14.694 ( 5.769 0.000 4.749) 7.472 14.790 ( 7.801 0.000 -5.134) 9.339 18.715 ( -6.959 -0.000 23.062) 24.089 19.200 ( -7.717 -0.000 -27.129) 28.205 21.513 ( -1.600 -0.000 12.387) 12.490 21.737 ( -4.680 -0.000 -11.191) 12.130 22.890 ( 9.747 0.000 3.726) 10.435 22.944 ( 9.518 0.000 -1.993) 9.724 23.218 ( 1.008 0.000 7.127) 7.198 23.350 ( 0.452 0.000 -6.384) 6.400 ======================= Grid point 457 (148/171) ======================= q-point: ( 0.29 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 10.033 -2.476 2.023) 10.530 2.396 ( 7.974 -1.185 -3.532) 8.801 2.738 ( -5.724 -3.563 -4.946) 8.362 2.757 ( -3.538 -1.506 -5.282) 6.533 3.430 ( -1.518 0.815 1.720) 2.435 3.450 ( -4.040 -0.952 -0.022) 4.150 3.750 ( 2.965 -0.635 14.052) 14.376 4.015 ( 4.112 -0.294 -13.116) 13.748 4.262 ( -0.728 3.174 3.682) 4.915 4.323 ( -2.825 3.059 -2.671) 4.947 4.779 ( -9.046 -0.923 4.122) 9.984 4.835 ( -6.390 -1.081 -1.315) 6.613 6.175 ( -4.021 3.580 2.288) 5.849 6.224 ( -1.447 0.196 -3.334) 3.640 7.198 ( -7.413 -0.656 9.969) 12.441 7.386 ( -4.607 1.348 -10.838) 11.854 7.613 ( 3.299 -1.289 14.921) 15.335 7.766 ( 22.218 -5.029 -2.564) 22.924 8.010 ( 15.946 -4.614 2.732) 16.823 8.237 ( -3.216 -1.721 -16.777) 17.169 9.112 ( 5.879 2.038 16.048) 17.212 9.414 ( 15.394 5.598 -7.069) 17.841 9.433 ( -3.793 0.154 -2.374) 4.478 9.526 ( 7.090 -6.546 -11.718) 15.180 10.355 ( 5.984 3.621 6.873) 9.806 10.404 ( 5.926 3.257 1.195) 6.867 10.728 ( -3.977 -0.686 23.581) 23.923 11.114 ( -3.978 0.316 -15.078) 15.598 11.209 ( -17.449 3.265 8.389) 19.634 11.390 ( -13.825 4.699 -9.057) 17.182 12.352 ( -0.029 -3.044 2.545) 3.967 12.437 ( 0.049 -1.401 -6.280) 6.434 12.900 ( -0.810 -2.979 4.730) 5.648 13.013 ( 0.314 -3.351 -6.517) 7.335 13.569 ( -2.740 -0.081 10.701) 11.046 13.763 ( -3.671 0.318 -10.036) 10.692 14.327 ( -2.434 1.459 0.983) 3.003 14.336 ( -0.700 1.350 -0.183) 1.531 14.761 ( -0.733 -0.319 4.535) 4.605 14.853 ( -2.157 0.566 -4.825) 5.315 18.549 ( -9.822 -0.008 22.552) 24.598 19.017 ( -10.777 -0.043 -25.718) 27.885 21.466 ( -2.365 1.319 10.089) 10.447 21.647 ( -3.597 1.697 -8.856) 9.708 23.042 ( 1.406 0.392 2.421) 2.827 23.062 ( 5.900 -0.953 0.405) 5.991 23.347 ( 11.936 -1.343 2.522) 12.273 23.407 ( 5.936 -0.628 -3.565) 6.953 ======================= Grid point 458 (149/171) ======================= q-point: (-0.64 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 2.102 1.035 3.660) 4.345 2.558 ( 6.766 -0.134 -1.926) 7.036 2.649 ( -7.193 -6.905 -2.247) 10.221 2.718 ( -1.731 -4.282 -6.451) 7.934 3.343 ( -5.725 -1.816 5.718) 8.293 3.417 ( -1.332 -1.190 -2.373) 2.971 3.816 ( 2.989 0.955 13.840) 14.192 4.067 ( 0.829 2.370 -10.725) 11.015 4.222 ( -1.385 5.815 0.031) 5.978 4.260 ( 0.134 3.753 -4.078) 5.543 4.628 ( -6.514 -4.933 5.976) 10.123 4.728 ( -4.956 -4.604 -4.312) 8.022 6.064 ( -4.728 1.689 6.958) 8.580 6.192 ( -1.193 1.109 -7.336) 7.514 7.002 ( -12.995 -5.205 12.948) 19.068 7.270 ( -6.843 0.288 -14.695) 16.213 7.579 ( -1.750 0.729 21.194) 21.279 7.973 ( 0.535 3.905 -16.986) 17.438 8.338 ( 12.338 -6.063 1.947) 13.884 8.462 ( 15.698 -6.395 -10.298) 19.833 8.989 ( -15.165 2.668 10.868) 18.847 9.172 ( -19.658 1.726 -6.879) 20.898 9.647 ( 8.048 2.184 2.512) 8.709 9.717 ( 5.724 -0.437 -4.111) 7.061 10.264 ( -5.228 8.665 8.058) 12.936 10.339 ( -0.675 5.956 -0.274) 6.000 10.833 ( -3.590 8.267 14.851) 17.372 11.014 ( 7.217 -5.097 13.313) 15.978 11.128 ( -2.092 8.601 -12.270) 15.130 11.291 ( 10.180 -2.991 -13.115) 16.869 12.237 ( -12.857 -8.549 0.923) 15.468 12.292 ( -14.801 -6.156 -4.819) 16.739 12.805 ( -12.921 -2.811 4.701) 14.034 12.911 ( -15.501 -2.916 -5.633) 16.749 13.488 ( -4.661 -0.760 9.522) 10.629 13.655 ( -5.832 -0.183 -8.541) 10.344 14.192 ( -9.834 1.601 2.887) 10.374 14.242 ( -8.380 2.085 -2.453) 8.977 14.674 ( -7.397 -0.842 2.772) 7.944 14.729 ( -8.056 -0.192 -2.892) 8.561 18.346 ( -11.973 -2.546 22.010) 25.185 18.797 ( -12.828 -2.838 -24.465) 27.770 21.399 ( -4.165 1.617 8.920) 9.976 21.561 ( -4.816 1.854 -8.042) 9.555 23.023 ( -2.055 0.403 6.080) 6.431 23.136 ( 1.392 0.359 -5.411) 5.598 23.587 ( 11.666 0.706 2.687) 11.992 23.632 ( 15.905 0.544 -1.873) 16.024 ======================= Grid point 459 (150/171) ======================= q-point: (-0.57 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( -7.801 -1.391 6.322) 10.137 2.529 ( -9.477 -3.952 -3.819) 10.955 2.602 ( -1.483 4.172 0.661) 4.477 2.683 ( -5.188 2.779 -4.976) 7.707 3.317 ( 0.373 -9.544 10.909) 14.499 3.436 ( 1.904 -5.107 -1.568) 5.672 3.824 ( -0.982 2.072 9.916) 10.178 4.018 ( -2.628 4.329 -9.681) 10.926 4.114 ( -5.215 7.095 2.905) 9.272 4.233 ( -0.136 6.205 -7.372) 9.637 4.638 ( 2.934 -4.620 5.244) 7.580 4.765 ( 4.462 -6.988 -6.571) 10.580 5.995 ( -3.069 -4.400 9.817) 11.188 6.167 ( -3.321 -6.402 -8.612) 11.233 6.830 ( -7.275 -5.066 12.968) 15.709 7.117 ( -9.049 -1.694 -16.535) 18.925 7.569 ( 2.708 5.757 20.080) 21.064 7.935 ( 0.355 9.317 -16.290) 18.770 8.446 ( -12.254 5.496 0.582) 13.443 8.536 ( -15.035 1.774 -8.446) 17.336 8.677 ( -4.538 -3.245 8.557) 10.215 8.847 ( -6.958 0.608 -7.605) 10.325 9.613 ( -6.604 6.563 5.215) 10.671 9.702 ( -6.067 4.787 -3.842) 8.630 10.142 ( -5.144 2.480 10.920) 12.323 10.278 ( -8.419 -2.405 -3.719) 9.513 10.697 ( -4.700 11.772 15.638) 20.130 10.916 ( -7.196 13.384 -6.356) 16.472 11.220 ( -0.327 -4.908 7.385) 8.873 11.445 ( 2.958 -3.434 -14.255) 14.958 12.142 ( -0.931 -14.203 0.605) 14.247 12.172 ( -7.185 -15.825 -1.403) 17.437 12.381 ( -33.756 2.349 0.015) 33.837 12.412 ( -23.543 3.043 -4.539) 24.169 13.454 ( 0.416 -0.915 9.004) 9.060 13.601 ( -0.756 -0.378 -6.945) 6.996 13.972 ( -11.541 -2.116 2.287) 11.954 14.021 ( -11.657 -2.892 -2.853) 12.344 14.543 ( -5.343 -0.141 4.032) 6.695 14.615 ( -3.948 -0.838 -3.402) 5.279 18.118 ( -15.286 -7.229 21.698) 27.509 18.557 ( -16.059 -7.980 -23.459) 29.528 21.248 ( -11.270 1.621 7.713) 13.753 21.393 ( -12.441 1.490 -7.379) 14.542 22.963 ( -3.659 1.164 8.128) 8.989 23.126 ( -1.478 1.460 -8.867) 9.107 23.807 ( 11.764 3.389 7.367) 14.288 23.927 ( 15.673 3.510 -5.246) 16.896 ======================= Grid point 460 (151/171) ======================= q-point: (-0.50 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -11.847 -1.065 6.218) 13.422 2.308 ( -14.663 -2.743 -0.793) 14.938 2.499 ( -7.655 5.355 -1.493) 9.461 2.510 ( -3.451 8.735 -4.981) 10.631 3.426 ( 0.057 -11.276 15.221) 18.943 3.556 ( 4.936 -6.919 8.390) 11.943 3.767 ( -5.605 -5.207 -3.286) 8.326 3.887 ( -6.756 10.642 0.993) 12.645 3.985 ( -1.014 4.026 -3.770) 5.608 4.162 ( -1.552 9.286 -12.377) 15.551 4.739 ( 3.843 -0.806 9.589) 10.361 4.918 ( 4.816 -4.300 -7.865) 10.176 5.992 ( -4.448 -13.184 9.468) 16.830 6.150 ( -7.262 -17.471 -6.397) 19.972 6.806 ( 1.228 -0.990 8.754) 8.895 6.972 ( -6.657 -1.962 -9.386) 11.673 7.544 ( -2.071 13.074 11.863) 17.775 7.731 ( -16.593 9.178 -7.379) 20.347 8.056 ( -10.742 10.279 7.990) 16.879 8.285 ( -5.449 9.491 -10.124) 14.908 8.584 ( -9.828 11.667 -5.040) 16.066 8.647 ( -11.869 5.850 -6.856) 14.902 9.398 ( -11.808 -0.573 6.096) 13.301 9.484 ( -17.448 -5.574 -3.093) 18.576 9.856 ( -25.854 -6.459 7.573) 27.704 9.972 ( -21.326 -5.948 -4.381) 22.569 10.409 ( -14.353 14.043 12.013) 23.399 10.564 ( -23.251 13.643 -4.771) 27.377 11.244 ( -3.746 -2.332 12.625) 13.374 11.466 ( -15.951 -1.101 -5.972) 17.068 11.694 ( -8.372 5.497 -3.482) 10.603 11.758 ( -10.082 4.404 -6.553) 12.806 12.462 ( 15.675 -12.927 1.999) 20.416 12.550 ( 14.508 -12.446 -6.658) 20.242 13.429 ( -7.021 -1.300 4.963) 8.696 13.507 ( -10.407 -1.270 -3.260) 10.979 13.878 ( 0.811 -7.434 4.795) 8.883 13.971 ( 3.343 -9.672 -3.778) 10.909 14.483 ( -0.875 -0.215 4.497) 4.587 14.572 ( -1.415 -0.761 -4.505) 4.783 17.845 ( -20.799 -13.717 21.777) 33.091 18.278 ( -21.371 -15.136 -22.728) 34.675 20.902 ( -24.170 1.379 6.097) 24.965 21.023 ( -25.790 0.437 -6.402) 26.576 22.868 ( -4.726 2.245 9.631) 10.961 23.064 ( -3.204 2.894 -10.848) 11.676 23.980 ( 9.728 6.703 11.659) 16.599 24.181 ( 14.106 6.683 -9.193) 18.115 ======================= Grid point 461 (152/171) ======================= q-point: (-0.43 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -11.880 3.698 4.445) 13.213 2.063 ( -11.940 -3.145 -3.143) 12.741 2.305 ( -7.524 7.358 1.827) 10.682 2.385 ( -3.961 9.001 -7.191) 12.183 3.434 ( -4.945 -6.285 13.012) 15.273 3.566 ( -8.486 2.166 8.761) 12.388 3.653 ( -2.146 8.630 8.860) 12.553 3.828 ( 0.438 -10.284 -9.587) 14.067 3.953 ( -2.779 -1.277 -3.692) 4.794 4.065 ( -1.197 7.482 -11.764) 13.993 4.760 ( -3.651 -4.816 11.948) 13.389 4.962 ( -4.359 -6.643 -8.355) 11.530 5.951 ( -11.163 -9.797 9.592) 17.681 6.107 ( -10.130 -13.748 -5.753) 18.020 6.765 ( -8.460 -0.046 10.826) 13.739 6.843 ( -12.457 -2.539 6.850) 14.441 7.258 ( -18.090 12.382 -6.781) 22.947 7.299 ( -15.339 8.825 -6.477) 18.844 7.787 ( -18.285 8.173 5.306) 20.720 7.934 ( -23.500 9.879 -8.734) 26.947 8.289 ( 6.421 10.123 14.071) 18.485 8.631 ( 11.945 12.469 -20.187) 26.565 8.991 ( -33.789 -0.490 2.666) 33.897 9.041 ( -31.628 -4.211 -2.781) 32.028 9.544 ( -6.736 -2.167 9.874) 12.148 9.662 ( -22.060 -0.336 -2.711) 22.229 9.852 ( -29.667 3.231 6.017) 30.443 10.001 ( -11.740 -0.367 -8.216) 14.334 11.041 ( 3.206 20.509 14.215) 25.159 11.300 ( 1.560 13.844 -12.016) 18.397 11.768 ( 13.695 -1.179 7.941) 15.874 11.939 ( 11.929 -5.063 -8.605) 15.556 12.825 ( 9.637 -11.947 1.410) 15.414 12.889 ( 7.524 -10.552 -4.855) 13.839 13.227 ( -11.503 -4.146 3.297) 12.664 13.322 ( -7.047 -6.112 -6.619) 11.438 14.107 ( 14.583 -11.011 8.275) 20.059 14.173 ( 7.842 -5.335 2.344) 9.770 14.537 ( 5.452 -1.857 -1.710) 6.009 14.575 ( 1.790 -7.397 -4.860) 9.030 17.500 ( -27.177 -20.500 22.523) 40.818 17.939 ( -27.301 -22.599 -22.544) 42.004 20.273 ( -39.996 0.946 4.808) 40.295 20.374 ( -41.510 -1.151 -5.566) 41.898 22.755 ( -4.552 3.913 10.473) 12.071 22.967 ( -3.877 4.936 -11.606) 13.194 24.091 ( 7.998 10.423 15.893) 20.620 24.381 ( 12.673 10.063 -14.152) 21.498 ======================= Grid point 462 (153/171) ======================= q-point: (-0.36 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -8.211 7.179 6.860) 12.885 1.888 ( -7.181 2.051 -6.213) 9.715 2.081 ( -9.867 8.642 3.643) 13.613 2.227 ( -5.351 9.796 -12.596) 16.830 3.314 ( -3.967 13.036 6.953) 15.297 3.427 ( -2.431 3.782 -1.082) 4.624 3.596 ( -1.994 -1.394 13.201) 13.423 3.746 ( -8.121 3.718 -3.510) 9.596 3.915 ( -6.784 -6.204 3.699) 9.909 4.086 ( 2.167 -11.420 -9.313) 14.894 4.682 ( -11.177 -13.796 8.455) 19.666 4.831 ( -16.744 -8.498 -5.846) 19.666 5.581 ( -23.597 11.321 14.169) 29.762 5.850 ( -20.046 6.110 -10.787) 23.570 6.433 ( -30.426 -18.404 7.188) 36.279 6.462 ( -30.442 -6.301 1.080) 31.106 6.842 ( -14.484 0.888 10.005) 17.626 7.011 ( -9.236 -2.180 -1.785) 9.656 7.519 ( -3.095 5.045 -1.156) 6.030 7.598 ( -6.039 3.310 -8.104) 10.635 8.285 ( -21.020 10.534 7.408) 24.651 8.356 ( -22.098 9.439 1.467) 24.075 8.480 ( -3.955 8.094 4.613) 10.121 8.690 ( -2.073 7.657 -13.032) 15.256 9.321 ( -6.032 -1.764 4.026) 7.464 9.437 ( 3.216 2.001 -8.560) 9.360 9.724 ( 9.301 -1.252 17.838) 20.157 10.064 ( 11.186 -2.309 -16.790) 20.307 11.054 ( 10.869 20.680 11.850) 26.196 11.288 ( 7.856 18.082 -12.589) 23.391 11.992 ( 3.891 -1.489 8.880) 9.808 12.151 ( 4.267 -2.800 -7.373) 8.967 12.829 ( -13.912 -15.209 1.820) 20.692 12.897 ( -8.690 -19.874 -5.025) 22.265 13.273 ( 10.381 -2.082 7.678) 13.079 13.443 ( 11.873 -1.225 -9.421) 15.206 14.245 ( -1.333 -0.273 9.837) 9.931 14.410 ( 2.728 -0.208 -7.271) 7.769 14.750 ( 22.646 -15.266 9.720) 28.990 14.947 ( 21.909 -17.721 -10.092) 29.931 17.089 ( -30.825 -23.627 23.815) 45.558 17.543 ( -30.853 -25.754 -22.892) 46.251 19.357 ( -52.929 0.358 4.220) 53.098 19.446 ( -54.489 -2.290 -4.943) 54.761 22.638 ( -3.663 6.726 10.816) 13.253 22.850 ( -3.496 7.357 -11.206) 13.854 24.145 ( 6.551 14.296 19.338) 24.925 24.528 ( 10.979 13.858 -20.146) 26.803 ======================= Grid point 463 (154/171) ======================= q-point: (-0.29 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -4.279 11.657 12.334) 17.502 1.700 ( -7.979 13.037 5.439) 16.224 1.843 ( -8.201 4.952 -5.656) 11.125 2.058 ( -4.403 9.433 -23.175) 25.406 3.187 ( 0.867 14.232 7.346) 16.040 3.294 ( -3.687 13.533 -3.324) 14.415 3.572 ( -1.311 2.244 2.968) 3.945 3.596 ( -5.775 -1.281 0.195) 5.919 3.837 ( -7.156 -6.667 21.795) 23.889 4.180 ( -5.551 -5.650 -4.753) 9.237 4.391 ( -18.902 -0.336 0.729) 18.919 4.497 ( -16.181 -9.124 -4.986) 19.233 5.244 ( -4.380 -2.840 6.699) 8.492 5.437 ( -9.762 8.737 -12.833) 18.339 5.878 ( -32.142 -14.140 2.054) 35.175 5.919 ( -32.824 -16.943 -0.034) 36.938 6.692 ( -3.901 -9.357 28.160) 29.929 7.041 ( 3.298 -13.434 -4.140) 14.439 7.484 ( 1.121 10.722 -1.534) 10.889 7.527 ( 2.832 5.065 -4.284) 7.212 7.971 ( -5.959 2.716 3.432) 7.394 8.035 ( -8.139 0.737 -2.614) 8.580 8.371 ( -3.236 4.000 9.771) 11.042 8.542 ( -5.273 3.428 -6.910) 9.343 9.355 ( 5.503 3.473 11.468) 13.186 9.596 ( 9.669 4.021 -13.287) 16.918 10.091 ( 27.234 -2.111 13.800) 30.604 10.408 ( 21.431 -2.825 -17.354) 27.720 11.124 ( 9.211 16.933 10.077) 21.751 11.324 ( 7.531 14.553 -9.671) 19.027 11.844 ( -19.467 -3.132 3.676) 20.057 11.995 ( -20.733 -1.948 -11.037) 23.568 12.870 ( 4.883 -19.376 7.018) 21.178 12.997 ( 3.473 -20.867 -6.351) 22.086 13.485 ( 10.211 -0.075 11.702) 15.531 13.686 ( 13.887 1.542 -8.289) 16.246 14.163 ( -7.800 -2.985 8.795) 12.128 14.328 ( -10.101 -2.693 -8.526) 13.490 15.440 ( 30.884 -14.280 3.494) 34.205 15.515 ( 19.697 -13.329 -4.304) 24.169 16.691 ( -22.867 -19.886 24.912) 39.229 17.155 ( -21.709 -19.939 -22.763) 37.243 18.309 ( -51.487 -1.142 3.913) 51.648 18.388 ( -52.391 -3.181 -4.273) 52.661 22.518 ( -2.336 10.984 11.801) 16.290 22.736 ( -2.100 8.991 -10.780) 14.194 24.136 ( 4.000 18.175 20.946) 28.019 24.595 ( 7.125 18.578 -26.586) 33.207 ======================= Grid point 464 (155/171) ======================= q-point: (-0.21 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 0.000 12.016 14.947) 19.178 1.471 ( 0.000 15.668 18.348) 24.128 1.713 ( 0.000 6.381 -13.274) 14.728 1.953 ( 0.000 6.272 -30.454) 31.093 3.102 ( 0.000 10.124 6.617) 12.095 3.214 ( 0.000 11.619 -4.937) 12.624 3.545 ( 0.000 0.044 0.321) 0.324 3.552 ( 0.000 24.929 37.445) 44.985 3.559 ( 0.000 0.657 -0.945) 1.151 4.072 ( -0.000 -5.720 10.239) 11.729 4.276 ( 0.000 4.647 -21.206) 21.709 4.425 ( -0.000 -14.719 -10.685) 18.188 5.329 ( -0.000 -8.322 3.691) 9.104 5.414 ( -0.000 -3.903 -6.877) 7.908 5.587 ( -0.000 -13.197 1.115) 13.244 5.609 ( -0.000 -13.921 -1.141) 13.968 6.767 ( -0.000 -16.773 32.334) 36.425 7.188 ( -0.000 -9.508 -10.472) 14.144 7.420 ( 0.000 8.753 5.780) 10.489 7.558 ( 0.000 3.453 -6.166) 7.067 7.905 ( 0.000 0.488 1.444) 1.525 7.933 ( 0.000 0.164 -1.429) 1.439 8.353 ( -0.000 -2.736 11.225) 11.554 8.494 ( -0.000 -0.751 -3.023) 3.115 9.401 ( 0.000 1.369 13.446) 13.515 9.672 ( 0.000 2.743 -13.628) 13.901 10.570 ( -0.000 -9.532 7.308) 12.011 10.741 ( -0.000 -1.162 -8.624) 8.702 11.155 ( 0.000 10.001 12.955) 16.366 11.383 ( 0.000 2.795 11.586) 11.919 11.481 ( 0.000 4.609 -20.247) 20.765 11.644 ( 0.000 1.640 -15.717) 15.802 13.089 ( -0.000 -17.903 6.065) 18.903 13.212 ( -0.000 -21.365 -6.483) 22.327 13.629 ( 0.000 0.474 18.970) 18.976 13.958 ( 0.000 0.296 -15.227) 15.230 14.066 ( -0.000 -6.726 4.048) 7.850 14.115 ( -0.000 -7.068 -0.821) 7.115 15.682 ( 0.000 1.842 7.011) 7.249 15.839 ( -0.000 -5.595 -8.677) 10.324 16.649 ( -0.000 -22.710 31.704) 38.999 17.203 ( -0.000 -25.972 -25.578) 36.452 17.686 ( -0.000 -0.689 3.246) 3.318 17.747 ( -0.000 -0.616 -3.010) 3.072 22.399 ( 0.000 15.408 14.233) 20.976 22.650 ( 0.000 9.323 -11.505) 14.808 24.035 ( 0.000 21.784 19.485) 29.227 24.516 ( 0.000 25.237 -30.864) 39.869 ======================= Grid point 471 (156/171) ======================= q-point: (-0.71 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 6.340 0.000 2.418) 6.785 2.538 ( 1.262 0.000 4.523) 4.696 2.603 ( -1.396 -0.000 -6.169) 6.325 2.681 ( -2.947 -0.000 -8.168) 8.683 3.333 ( -7.092 -0.000 5.852) 9.195 3.410 ( -1.676 -0.000 -2.818) 3.279 3.824 ( 4.162 0.000 14.698) 15.276 4.084 ( 1.935 0.000 -10.986) 11.156 4.269 ( -3.586 -0.000 -0.357) 3.604 4.283 ( 1.902 0.000 -2.580) 3.206 4.590 ( -7.399 -0.000 5.614) 9.288 4.692 ( -6.285 -0.000 -4.879) 7.957 6.078 ( -6.174 -0.000 6.195) 8.746 6.201 ( -2.286 -0.000 -7.409) 7.753 6.963 ( -13.468 -0.000 15.173) 20.288 7.272 ( -7.684 -0.000 -17.597) 19.201 7.587 ( -0.391 -0.000 23.509) 23.512 8.000 ( 2.991 0.000 -15.797) 16.077 8.295 ( 11.521 0.000 -1.288) 11.593 8.409 ( 18.987 0.000 -10.490) 21.692 9.008 ( -16.174 -0.000 11.974) 20.124 9.183 ( -20.498 -0.000 -5.450) 21.210 9.674 ( 8.533 0.000 0.077) 8.533 9.705 ( 8.741 0.000 -2.728) 9.157 10.330 ( -6.726 -0.000 7.036) 9.734 10.380 ( -2.431 -0.000 1.566) 2.891 10.936 ( 15.185 0.000 14.954) 21.312 10.939 ( -8.814 -0.000 14.556) 17.016 11.217 ( -4.336 -0.000 -13.146) 13.843 11.254 ( 12.717 0.000 -15.549) 20.087 12.165 ( -15.591 -0.000 2.836) 15.846 12.243 ( -17.867 -0.000 -5.230) 18.617 12.787 ( -10.990 -0.000 4.076) 11.722 12.890 ( -13.637 -0.000 -5.854) 14.841 13.483 ( -4.710 -0.000 9.936) 10.996 13.653 ( -6.090 -0.000 -8.517) 10.471 14.205 ( -10.690 -0.000 3.018) 11.108 14.258 ( -8.974 -0.000 -2.650) 9.357 14.667 ( -7.241 -0.000 3.033) 7.851 14.727 ( -8.567 -0.000 -3.158) 9.131 18.328 ( -12.869 -0.000 21.933) 25.430 18.777 ( -13.804 -0.000 -24.321) 27.965 21.411 ( -4.342 -0.000 8.978) 9.973 21.575 ( -5.108 -0.000 -8.161) 9.627 23.026 ( -1.927 -0.000 6.051) 6.351 23.138 ( 1.697 0.000 -5.393) 5.654 23.591 ( 12.301 0.000 2.628) 12.578 23.635 ( 16.751 0.000 -1.797) 16.847 ======================= Grid point 473 (157/171) ======================= q-point: (-0.64 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -10.300 -1.089 8.772) 13.573 2.495 ( -7.021 -1.026 -1.109) 7.182 2.656 ( 1.246 3.220 -3.485) 4.905 2.699 ( 0.448 -0.470 -5.546) 5.583 3.221 ( -3.096 -3.700 12.053) 12.983 3.386 ( -0.612 -1.823 -5.528) 5.852 3.854 ( -1.921 1.491 11.590) 11.843 4.061 ( -3.266 1.659 -9.711) 10.379 4.195 ( -2.633 3.676 5.042) 6.772 4.291 ( -0.684 1.780 -1.719) 2.568 4.599 ( 7.086 -0.339 -1.501) 7.251 4.671 ( 4.096 -5.313 -6.576) 9.394 5.959 ( -6.479 -0.989 8.091) 10.412 6.096 ( -10.022 -3.097 -6.559) 12.372 6.780 ( -4.638 -1.798 14.240) 15.084 7.097 ( -9.869 -0.789 -18.716) 21.173 7.629 ( 5.206 2.326 22.142) 22.864 8.029 ( 1.422 3.616 -17.352) 17.782 8.488 ( -1.210 0.984 -2.611) 3.041 8.546 ( -13.091 -0.031 -7.535) 15.104 8.639 ( -10.853 -1.414 11.779) 16.079 8.844 ( -4.090 -0.507 -9.389) 10.254 9.697 ( -5.212 4.137 4.344) 7.947 9.753 ( -4.566 1.798 -0.706) 4.958 10.173 ( -11.764 1.981 6.679) 13.672 10.234 ( -16.178 -2.817 -0.232) 16.423 10.847 ( -2.171 6.854 17.381) 18.809 11.077 ( -0.479 5.822 1.314) 5.987 11.184 ( -4.433 0.926 -1.337) 4.722 11.420 ( 2.344 -0.392 -16.609) 16.778 11.956 ( -6.483 -8.923 1.207) 11.096 11.988 ( 0.131 -8.482 -1.913) 8.696 12.415 ( -31.921 1.694 -0.420) 31.969 12.438 ( -23.089 0.702 -3.850) 23.418 13.447 ( 1.147 -0.149 9.480) 9.550 13.595 ( -0.274 -0.346 -6.506) 6.521 13.953 ( -13.681 -0.604 1.798) 13.811 13.996 ( -15.948 -0.806 -2.678) 16.191 14.542 ( -4.861 -0.002 3.492) 5.985 14.605 ( -3.857 -0.457 -2.990) 4.902 18.049 ( -17.063 -2.540 21.448) 27.525 18.480 ( -18.011 -2.803 -22.944) 29.303 21.266 ( -11.375 0.746 7.562) 13.679 21.410 ( -12.775 0.726 -7.412) 14.788 22.973 ( -3.428 0.373 8.201) 8.897 23.140 ( -1.129 0.474 -9.102) 9.184 23.837 ( 12.643 1.060 7.496) 14.736 23.959 ( 16.512 1.064 -5.202) 17.345 ======================= Grid point 474 (158/171) ======================= q-point: (-0.57 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -12.031 -3.125 10.380) 16.194 2.298 ( -12.780 0.179 -2.084) 12.950 2.590 ( -6.023 6.610 -0.728) 8.972 2.625 ( -1.303 6.529 -5.316) 8.519 3.284 ( 1.659 -7.959 12.792) 15.158 3.430 ( 1.708 -9.014 -1.803) 9.349 3.739 ( -8.246 -0.046 7.236) 10.971 3.965 ( -5.048 2.116 -11.747) 12.959 4.104 ( -1.738 9.762 8.710) 13.198 4.257 ( -1.196 3.528 -4.401) 5.765 4.759 ( 8.508 3.357 1.613) 9.288 4.865 ( 8.189 -2.973 -7.535) 11.518 5.826 ( -10.797 -9.025 5.587) 15.141 5.913 ( -13.011 -14.725 -3.305) 19.926 6.788 ( 2.426 -1.105 9.053) 9.438 6.938 ( -7.147 -2.180 -8.111) 11.028 7.692 ( -0.426 7.349 10.790) 13.062 7.832 ( -18.506 4.835 -3.701) 19.482 8.164 ( -9.677 4.856 6.047) 12.401 8.405 ( 2.787 6.694 -13.956) 15.728 8.677 ( 1.314 2.495 -0.576) 2.878 8.775 ( -8.527 10.245 -7.329) 15.211 9.392 ( -25.688 -1.532 2.293) 25.836 9.429 ( -29.908 -0.999 -1.222) 29.950 9.780 ( -21.299 -3.889 7.132) 22.795 9.888 ( -15.832 -5.234 -4.011) 17.150 10.590 ( -21.061 10.702 11.142) 26.120 10.731 ( -31.572 9.195 -3.975) 33.123 11.150 ( 1.088 -8.462 14.660) 16.962 11.417 ( -9.779 -4.689 -10.171) 14.868 11.798 ( -3.564 11.230 1.957) 11.944 11.912 ( -4.030 11.973 -7.611) 14.749 12.280 ( 15.891 -12.120 0.994) 20.011 12.376 ( 13.643 -12.112 -8.158) 19.985 13.430 ( -8.106 1.295 5.607) 9.941 13.495 ( -13.120 -0.961 -1.622) 13.254 13.780 ( -2.936 -6.164 3.318) 7.591 13.858 ( 3.552 -5.638 -4.063) 7.805 14.484 ( -1.253 0.213 4.342) 4.525 14.565 ( -1.055 -0.340 -4.017) 4.167 17.694 ( -23.310 -7.462 21.242) 32.408 18.111 ( -24.156 -8.240 -21.615) 33.446 20.923 ( -24.111 1.293 5.405) 24.743 21.034 ( -26.139 0.881 -6.096) 26.855 22.891 ( -4.406 1.043 9.853) 10.843 23.094 ( -2.669 1.430 -11.445) 11.839 24.049 ( 10.652 3.197 11.831) 16.237 24.248 ( 14.700 3.015 -8.865) 17.429 ======================= Grid point 475 (159/171) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -9.898 -2.349 5.680) 11.651 2.044 ( -11.663 0.808 -1.698) 11.814 2.425 ( -4.634 9.604 4.303) 11.499 2.546 ( -0.505 12.303 -8.735) 15.097 3.303 ( -4.684 -9.672 13.218) 17.036 3.572 ( -8.657 -5.061 -5.013) 11.211 3.580 ( 3.267 -11.005 7.865) 13.916 3.824 ( -6.986 4.474 -4.272) 9.332 4.003 ( -2.201 8.791 5.832) 10.776 4.191 ( -1.937 6.703 -9.416) 11.719 4.770 ( -5.090 7.498 5.982) 10.859 4.903 ( -5.859 -0.708 -6.640) 8.883 5.729 ( -10.052 -19.290 4.247) 22.163 5.823 ( -10.674 -23.711 -4.812) 26.445 6.785 ( -6.252 1.689 13.870) 15.307 6.807 ( -10.913 -2.434 10.450) 15.304 7.409 ( -17.874 6.990 -7.999) 20.792 7.425 ( -19.031 8.456 -9.180) 22.758 7.949 ( -29.636 14.520 7.198) 33.777 8.086 ( -24.046 10.628 -6.277) 27.030 8.440 ( 5.532 11.257 12.175) 17.480 8.779 ( 10.495 7.175 -20.157) 23.832 8.935 ( -20.700 -8.352 0.479) 22.326 8.963 ( -21.249 -4.664 -2.363) 21.882 9.516 ( -11.966 -1.465 8.928) 15.001 9.655 ( -22.351 -1.204 -5.239) 22.988 9.917 ( -30.173 5.589 5.198) 31.123 10.005 ( -19.904 1.044 -3.538) 20.243 11.236 ( 3.661 1.962 9.792) 10.636 11.339 ( 3.682 -1.307 1.156) 4.075 11.896 ( 13.473 14.146 -2.549) 19.701 11.958 ( 15.392 11.055 -7.038) 20.215 12.683 ( 12.130 -7.587 1.832) 14.424 12.766 ( 13.344 -7.407 -6.477) 16.579 13.161 ( -14.363 -5.742 2.245) 15.630 13.226 ( -11.937 -7.304 -4.277) 14.633 13.950 ( 11.532 -10.056 9.433) 17.975 14.075 ( 12.018 -7.600 -3.048) 14.542 14.489 ( 1.523 -2.000 1.978) 3.199 14.558 ( 0.842 0.869 -4.636) 4.791 17.257 ( -29.022 -13.723 21.731) 38.766 17.670 ( -29.293 -15.135 -20.709) 38.936 20.295 ( -39.624 1.792 3.300) 39.801 20.373 ( -41.487 0.636 -4.689) 41.756 22.796 ( -4.003 2.083 10.868) 11.767 23.023 ( -3.009 2.985 -12.793) 13.477 24.205 ( 8.824 5.948 16.143) 19.335 24.486 ( 12.959 5.219 -13.090) 19.144 ======================= Grid point 476 (160/171) ======================= q-point: (-0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 492 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -6.328 3.854 2.953) 7.976 1.892 ( -4.268 -0.834 -3.732) 5.731 2.250 ( -5.626 14.551 5.711) 16.614 2.417 ( -2.206 16.863 -11.787) 20.692 3.318 ( -0.214 -10.888 12.351) 16.466 3.454 ( -3.362 0.327 3.906) 5.164 3.628 ( -6.592 2.710 2.589) 7.583 3.726 ( -3.073 -11.407 -10.128) 15.561 3.891 ( -3.205 6.020 7.079) 9.830 4.071 ( -4.051 10.107 -7.937) 13.475 4.527 ( -15.642 -6.047 9.954) 19.502 4.706 ( -16.258 -6.812 -8.253) 19.464 5.575 ( -19.838 -13.024 9.290) 25.485 5.752 ( -15.441 -19.916 -8.257) 26.519 6.329 ( -34.539 4.744 13.807) 37.497 6.437 ( -33.309 1.488 4.162) 33.601 6.925 ( -17.085 8.769 8.492) 20.998 6.998 ( -17.229 0.849 5.674) 18.159 7.565 ( -3.966 1.424 -5.617) 7.021 7.656 ( -6.519 6.120 -15.380) 17.790 8.406 ( -23.332 6.688 3.437) 24.513 8.453 ( -26.347 4.252 -1.115) 26.711 8.601 ( -4.273 7.997 6.461) 11.134 8.770 ( -7.825 3.116 -9.842) 12.954 9.314 ( 1.856 0.652 5.917) 6.236 9.472 ( 10.000 2.075 -10.144) 14.395 9.725 ( 6.806 2.608 15.676) 17.287 10.009 ( 9.160 -4.755 -13.580) 17.057 11.296 ( 7.163 10.592 8.024) 15.096 11.446 ( 6.107 3.016 -6.960) 9.738 12.048 ( 5.783 11.051 6.021) 13.850 12.156 ( 7.558 4.835 -4.435) 10.009 12.646 ( -13.770 -12.211 -1.209) 18.444 12.677 ( -16.513 -8.933 -4.439) 19.292 13.235 ( 12.833 -3.466 7.226) 15.130 13.410 ( 16.462 -3.758 -10.534) 19.902 14.200 ( 0.654 -6.584 10.447) 12.366 14.367 ( 6.174 -5.822 -6.328) 10.586 14.597 ( 16.639 -6.406 7.154) 19.211 14.763 ( 22.098 -7.730 -8.890) 25.042 16.795 ( -29.002 -17.819 23.289) 41.243 17.222 ( -28.527 -19.443 -20.592) 40.198 19.379 ( -52.466 2.203 2.165) 52.557 19.437 ( -53.698 0.494 -3.742) 53.831 22.710 ( -2.842 3.693 11.067) 12.008 22.940 ( -2.497 5.204 -12.981) 14.207 24.308 ( 7.098 8.940 20.085) 23.102 24.674 ( 10.857 7.444 -17.875) 22.199 ======================= Grid point 477 (161/171) ======================= q-point: (-0.36 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -3.159 7.760 7.236) 11.071 1.834 ( -1.450 4.139 -6.399) 7.758 1.997 ( -7.558 18.574 6.529) 21.089 2.247 ( -2.280 17.238 -18.667) 25.511 3.326 ( -4.726 3.869 5.149) 7.988 3.411 ( -4.735 1.918 -1.875) 5.442 3.564 ( 2.870 -7.344 10.388) 13.041 3.679 ( 1.376 9.415 -3.178) 10.032 3.761 ( -5.533 4.754 12.590) 14.551 4.025 ( -1.848 -10.787 -10.027) 14.843 4.335 ( -10.151 -11.986 0.142) 15.707 4.370 ( -21.617 -5.417 -1.809) 22.358 5.249 ( -12.495 -2.557 14.314) 19.172 5.504 ( -16.787 -6.990 -11.358) 21.439 5.683 ( -28.178 -6.497 6.060) 29.545 5.724 ( -34.426 -7.500 2.282) 35.307 6.665 ( -6.472 5.114 20.366) 21.973 6.861 ( -2.108 -10.587 6.353) 12.526 7.570 ( 2.199 1.198 -6.283) 6.764 7.597 ( 2.666 5.975 -9.161) 11.257 8.013 ( -10.435 2.970 1.951) 11.024 8.055 ( -11.535 1.643 -2.008) 11.823 8.444 ( -5.377 5.539 5.985) 9.768 8.592 ( -6.366 2.977 -8.532) 11.054 9.430 ( 6.611 6.920 12.787) 15.972 9.649 ( 7.711 2.718 -9.426) 12.479 10.053 ( 24.529 -1.747 9.872) 26.498 10.330 ( 18.195 -6.624 -16.713) 25.578 11.350 ( 6.292 12.544 7.497) 15.910 11.505 ( 3.522 9.197 -7.636) 12.462 11.809 ( -20.389 -1.366 6.211) 21.358 11.989 ( -21.349 1.109 -11.813) 24.424 12.615 ( 5.095 -14.985 5.760) 16.844 12.731 ( 4.551 -15.522 -6.299) 17.359 13.487 ( 11.459 0.260 12.424) 16.904 13.708 ( 14.240 1.546 -9.873) 17.397 14.123 ( -9.346 -2.958 8.127) 12.734 14.282 ( -12.098 -3.902 -8.324) 15.195 15.287 ( 38.025 -7.702 3.527) 38.957 15.380 ( 30.892 -6.460 -5.732) 32.077 16.435 ( -19.002 -16.395 25.262) 35.609 16.886 ( -17.764 -17.681 -21.157) 32.799 18.315 ( -52.131 1.371 2.320) 52.200 18.370 ( -52.229 0.038 -3.302) 52.333 22.634 ( -1.549 5.963 10.861) 12.487 22.856 ( -1.489 7.560 -12.256) 14.477 24.347 ( 4.272 11.963 22.889) 26.178 24.789 ( 6.801 9.819 -22.814) 25.751 ======================= Grid point 478 (162/171) ======================= q-point: (-0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 0.000 9.704 11.040) 14.698 1.743 ( 0.000 22.387 10.940) 24.917 1.794 ( 0.000 4.983 -9.529) 10.753 2.106 ( 0.000 15.183 -25.349) 29.548 3.215 ( 0.000 5.045 6.518) 8.242 3.337 ( 0.000 3.218 -6.057) 6.859 3.594 ( 0.000 10.762 2.811) 11.123 3.648 ( 0.000 11.506 -2.529) 11.781 3.721 ( -0.000 -4.642 27.218) 27.611 3.996 ( -0.000 -3.045 10.103) 10.552 4.199 ( -0.000 -14.882 -9.018) 17.401 4.301 ( -0.000 -2.309 -16.044) 16.210 5.243 ( -0.000 -3.104 13.368) 13.723 5.377 ( -0.000 -16.564 0.429) 16.569 5.387 ( -0.000 -17.544 -0.595) 17.554 5.423 ( 0.000 3.115 -5.844) 6.622 6.603 ( -0.000 -3.875 29.201) 29.457 6.962 ( -0.000 -17.220 -1.482) 17.283 7.556 ( 0.000 6.821 -3.611) 7.718 7.624 ( 0.000 4.308 -5.966) 7.358 7.912 ( 0.000 0.470 1.194) 1.283 7.935 ( 0.000 0.169 -1.222) 1.234 8.362 ( 0.000 3.436 7.548) 8.293 8.512 ( 0.000 2.639 -7.085) 7.561 9.450 ( 0.000 5.413 15.319) 16.247 9.711 ( 0.000 2.367 -11.139) 11.387 10.432 ( -0.000 -8.340 5.953) 10.247 10.645 ( -0.000 -9.404 -14.205) 17.036 11.343 ( 0.000 13.229 9.672) 16.388 11.422 ( 0.000 2.783 10.788) 11.141 11.575 ( 0.000 6.270 -14.359) 15.668 11.667 ( 0.000 1.591 -14.773) 14.858 12.815 ( -0.000 -18.938 4.799) 19.536 12.915 ( -0.000 -19.084 -5.536) 19.871 13.636 ( 0.000 0.474 18.751) 18.757 13.962 ( 0.000 0.293 -15.155) 15.158 13.996 ( -0.000 -3.497 3.534) 4.972 14.051 ( -0.000 -2.994 -1.727) 3.457 15.731 ( 0.000 4.306 1.396) 4.526 15.797 ( -0.000 -0.952 -5.067) 5.155 16.370 ( -0.000 -17.378 28.443) 33.331 16.873 ( -0.000 -20.815 -23.331) 31.267 17.676 ( -0.000 -0.692 3.302) 3.374 17.739 ( -0.000 -0.618 -3.062) 3.124 22.566 ( 0.000 8.685 10.962) 13.986 22.781 ( 0.000 9.010 -11.299) 14.451 24.295 ( 0.000 15.136 23.472) 27.929 24.779 ( 0.000 13.285 -26.542) 29.681 ======================= Grid point 487 (163/171) ======================= q-point: (-0.64 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -11.961 -0.000 12.675) 17.427 2.300 ( -12.333 -0.000 -2.844) 12.657 2.648 ( -5.273 -0.000 -0.790) 5.332 2.671 ( 0.066 0.000 -4.832) 4.832 3.225 ( 3.872 0.000 11.520) 12.153 3.356 ( -2.425 -0.000 -4.288) 4.926 3.741 ( -8.704 -0.000 9.512) 12.894 3.979 ( -5.345 -0.000 -12.293) 13.405 4.185 ( -1.437 -0.000 8.614) 8.733 4.272 ( -1.371 -0.000 0.794) 1.584 4.796 ( 10.414 0.000 -2.556) 10.723 4.840 ( 13.365 0.000 -7.950) 15.551 5.778 ( -12.355 -0.000 1.961) 12.510 5.779 ( -19.246 -0.000 0.184) 19.247 6.780 ( 2.824 0.000 9.042) 9.472 6.922 ( -7.289 -0.000 -7.566) 10.506 7.744 ( -0.110 -0.000 10.496) 10.497 7.865 ( -19.437 -0.000 -2.246) 19.566 8.197 ( -9.725 -0.000 5.226) 11.041 8.454 ( 7.115 0.000 -17.455) 18.849 8.693 ( 5.139 0.000 4.682) 6.952 8.857 ( -1.044 -0.000 -9.661) 9.717 9.374 ( -37.829 -0.000 3.317) 37.974 9.430 ( -36.490 -0.000 -1.636) 36.526 9.754 ( -17.318 -0.000 5.795) 18.262 9.846 ( -13.446 -0.000 -3.612) 13.923 10.675 ( -24.540 -0.000 10.139) 26.552 10.800 ( -35.787 -0.000 -3.155) 35.926 11.076 ( 0.190 0.000 16.199) 16.200 11.376 ( -7.736 -0.000 -12.586) 14.774 11.950 ( 0.065 0.000 1.871) 1.873 11.976 ( 5.798 0.000 1.923) 6.108 12.197 ( 16.311 0.000 -4.243) 16.854 12.245 ( 9.357 0.000 -11.287) 14.661 13.451 ( -6.886 -0.000 4.570) 8.265 13.478 ( -16.101 -0.000 0.506) 16.109 13.731 ( -4.861 -0.000 3.477) 5.976 13.819 ( 3.848 0.000 -5.033) 6.335 14.486 ( -1.312 -0.000 4.187) 4.388 14.563 ( -0.763 -0.000 -3.773) 3.850 17.641 ( -24.202 -0.000 21.044) 32.072 18.052 ( -25.143 -0.000 -21.236) 32.911 20.932 ( -24.090 -0.000 5.196) 24.644 21.041 ( -26.255 -0.000 -6.004) 26.933 22.898 ( -4.308 -0.000 9.945) 10.838 23.105 ( -2.490 -0.000 -11.651) 11.914 24.072 ( 10.960 0.000 11.838) 16.133 24.268 ( 14.881 0.000 -8.721) 17.248 ======================= Grid point 489 (164/171) ======================= q-point: (-0.57 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -8.737 -1.279 9.139) 12.708 2.055 ( -11.693 0.426 -3.133) 12.113 2.553 ( -1.394 6.878 7.221) 10.069 2.677 ( 2.310 4.613 -6.741) 8.489 3.227 ( -5.474 1.252 4.142) 6.978 3.350 ( -2.104 -14.353 -6.999) 16.107 3.579 ( -6.502 0.269 15.152) 16.490 3.851 ( -8.013 0.579 -10.259) 13.030 4.119 ( -3.061 4.977 8.520) 10.331 4.232 ( -2.786 0.457 -1.945) 3.428 4.922 ( 1.065 6.838 -0.747) 6.961 4.970 ( -2.149 11.815 -5.951) 13.403 5.456 ( -15.655 -17.288 1.714) 23.386 5.530 ( -15.876 -13.578 -3.888) 21.249 6.781 ( -10.231 -0.992 12.587) 16.251 6.801 ( -2.766 0.480 13.001) 13.301 7.469 ( -22.508 1.948 -6.692) 23.563 7.502 ( -15.544 2.487 -9.185) 18.226 8.143 ( -39.789 10.041 5.402) 41.391 8.193 ( -17.698 3.633 0.811) 18.085 8.613 ( -3.433 13.194 5.438) 14.678 8.786 ( -8.373 -6.860 -3.756) 11.458 8.799 ( -12.038 -8.203 -1.378) 14.632 8.936 ( 5.738 0.752 -16.422) 17.412 9.506 ( -15.007 -0.108 7.044) 16.579 9.632 ( -20.497 -1.362 -5.545) 21.277 9.987 ( -29.201 3.273 3.467) 29.588 10.021 ( -26.985 0.830 -0.190) 26.998 11.158 ( 4.817 -5.362 13.452) 15.261 11.347 ( 4.014 -0.093 -4.577) 6.088 12.084 ( 12.850 11.833 0.351) 17.472 12.141 ( 12.851 7.395 -5.034) 15.658 12.622 ( 23.886 -0.490 -2.077) 23.981 12.671 ( 24.933 -5.997 -6.484) 26.452 13.076 ( -23.146 -4.709 2.964) 23.806 13.141 ( -20.853 -3.736 -3.591) 21.487 13.847 ( 10.677 -3.998 10.038) 15.191 13.994 ( 11.593 -3.137 -5.425) 13.179 14.478 ( 0.294 -0.114 4.231) 4.243 14.568 ( 1.766 0.413 -4.977) 5.297 17.124 ( -30.025 -4.852 21.257) 37.107 17.524 ( -30.335 -5.338 -19.798) 36.615 20.315 ( -39.466 0.792 2.627) 39.561 20.382 ( -41.505 0.427 -4.266) 41.726 22.815 ( -3.769 0.655 11.183) 11.819 23.050 ( -2.576 0.984 -13.430) 13.710 24.260 ( 9.214 1.921 16.028) 18.587 24.533 ( 13.025 1.598 -12.435) 18.078 ======================= Grid point 490 (165/171) ======================= q-point: (-0.50 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -3.460 0.828 1.608) 3.904 1.880 ( -4.629 -0.401 -1.541) 4.896 2.473 ( 0.196 16.472 9.309) 18.921 2.669 ( 2.750 16.690 -11.436) 20.418 3.134 ( -4.179 -12.039 10.994) 16.831 3.389 ( -3.207 -13.457 -12.883) 18.904 3.523 ( -2.647 -6.678 8.618) 11.220 3.662 ( -10.831 -0.231 -4.485) 11.725 4.019 ( -1.847 7.661 10.175) 12.870 4.164 ( -3.630 0.439 -3.556) 5.101 4.596 ( -20.282 15.128 4.215) 25.651 4.702 ( -15.440 8.420 -6.042) 18.596 5.318 ( -18.799 -20.229 2.277) 27.709 5.394 ( -15.512 -28.062 -4.961) 32.446 6.400 ( -31.032 2.455 14.763) 34.453 6.490 ( -33.231 4.770 4.916) 33.930 6.975 ( -19.055 0.295 16.808) 25.410 7.092 ( -20.710 8.598 7.579) 23.670 7.573 ( -6.838 0.295 -6.908) 9.725 7.762 ( -9.066 7.541 -23.111) 25.945 8.474 ( -22.485 3.037 0.157) 22.690 8.485 ( -23.933 0.853 -0.722) 23.959 8.689 ( -10.690 4.640 3.280) 12.107 8.779 ( -11.522 -1.286 -6.146) 13.122 9.322 ( 9.040 -0.041 7.183) 11.546 9.485 ( 11.221 0.286 -7.504) 13.502 9.801 ( 6.925 6.955 6.911) 12.004 9.946 ( 7.606 -3.948 -7.160) 11.167 11.299 ( 4.817 -6.454 9.214) 12.237 11.457 ( 6.330 0.097 -6.704) 9.221 12.237 ( 8.172 11.871 2.564) 14.638 12.294 ( 4.368 12.601 -2.012) 13.488 12.517 ( -18.185 -5.478 2.278) 19.128 12.618 ( -24.053 -0.793 -7.388) 25.174 13.179 ( 18.851 -4.061 5.256) 19.987 13.335 ( 24.899 -6.316 -10.646) 27.807 14.094 ( 6.155 -6.668 10.449) 13.839 14.268 ( 7.290 -6.853 -7.545) 12.531 14.554 ( 14.589 -0.733 7.822) 16.570 14.711 ( 18.102 -1.067 -8.123) 19.870 16.598 ( -27.940 -9.785 22.837) 37.389 17.008 ( -27.144 -10.600 -19.307) 34.956 19.408 ( -52.385 1.601 1.095) 52.421 19.448 ( -53.439 0.800 -3.007) 53.530 22.747 ( -2.474 1.659 11.683) 12.056 22.995 ( -1.874 2.572 -14.290) 14.640 24.400 ( 7.351 4.262 19.850) 21.593 24.747 ( 10.629 3.211 -16.251) 19.682 ======================= Grid point 491 (166/171) ======================= q-point: (-0.43 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -2.090 4.045 4.531) 6.424 1.865 ( 0.406 1.061 -4.727) 4.862 2.300 ( -2.967 23.379 7.064) 24.602 2.534 ( -0.411 23.112 -16.373) 28.327 3.267 ( 3.259 -14.858 12.611) 19.759 3.387 ( -5.260 -2.844 2.993) 6.687 3.440 ( -9.793 -4.584 -0.021) 10.813 3.601 ( 2.458 -18.115 -12.302) 22.035 3.948 ( 0.688 13.553 8.201) 15.856 4.092 ( -2.891 16.499 -2.615) 16.953 4.185 ( -9.212 -6.980 4.000) 12.230 4.305 ( -19.601 0.599 -5.944) 20.491 5.073 ( -15.895 -19.690 10.294) 27.319 5.231 ( -19.844 -24.978 -5.767) 32.418 5.690 ( -38.704 0.555 8.026) 39.531 5.748 ( -24.796 7.117 2.540) 25.922 6.769 ( -4.875 -0.987 21.630) 22.194 6.781 ( -7.458 7.634 16.382) 19.552 7.569 ( 2.337 -0.863 -9.208) 9.539 7.677 ( 2.123 5.822 -18.258) 19.281 8.049 ( -13.607 2.068 1.141) 13.811 8.076 ( -13.821 1.306 -1.620) 13.977 8.510 ( -5.561 3.686 1.664) 6.876 8.612 ( -6.148 -0.161 -8.083) 10.157 9.529 ( 6.719 6.349 10.027) 13.638 9.656 ( 6.104 -1.498 -2.565) 6.789 10.066 ( 22.130 3.407 4.368) 22.812 10.249 ( 17.716 -4.424 -12.887) 22.349 11.417 ( 3.444 -3.239 6.901) 8.365 11.563 ( 3.921 0.466 -7.847) 8.784 11.823 ( -26.478 2.732 8.164) 27.842 12.018 ( -25.163 2.388 -11.925) 27.948 12.486 ( 6.935 -3.216 4.425) 8.833 12.584 ( 6.260 -5.341 -5.476) 9.884 13.492 ( 12.482 0.551 12.524) 17.691 13.727 ( 14.791 1.018 -11.296) 18.639 14.078 ( -8.416 -3.198 6.727) 11.238 14.222 ( -10.988 -4.318 -7.777) 14.137 15.216 ( 42.906 -2.729 3.816) 43.162 15.320 ( 37.283 -2.559 -6.374) 37.910 16.237 ( -16.110 -11.408 25.111) 31.941 16.672 ( -15.067 -12.329 -19.752) 27.734 18.336 ( -53.423 1.485 1.445) 53.463 18.378 ( -52.758 0.788 -2.715) 52.833 22.695 ( -1.203 3.013 11.588) 12.034 22.942 ( -0.993 4.598 -14.232) 14.989 24.477 ( 4.339 6.694 22.783) 24.139 24.888 ( 6.404 4.697 -19.845) 21.375 ======================= Grid point 492 (167/171) ======================= q-point: (-0.36 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.000 6.650 8.080) 10.465 1.852 ( 0.000 3.212 -6.543) 7.289 2.084 ( 0.000 25.576 7.414) 26.629 2.370 ( 0.000 21.954 -21.045) 30.412 3.247 ( 0.000 0.359 4.397) 4.412 3.326 ( -0.000 -2.652 -3.621) 4.489 3.527 ( -0.000 -19.142 20.258) 27.871 3.814 ( -0.000 -21.290 -7.417) 22.545 3.828 ( 0.000 20.294 1.953) 20.388 3.869 ( 0.000 19.021 -1.916) 19.117 4.087 ( -0.000 -4.468 2.775) 5.260 4.239 ( -0.000 -5.512 -11.742) 12.972 5.119 ( -0.000 -20.375 0.087) 20.375 5.126 ( -0.000 -19.010 -0.619) 19.020 5.209 ( -0.000 -2.949 25.697) 25.865 5.485 ( 0.000 5.217 -4.544) 6.919 6.652 ( 0.000 8.442 19.218) 20.990 6.767 ( -0.000 -9.114 13.879) 16.604 7.603 ( 0.000 0.547 -7.718) 7.737 7.682 ( 0.000 4.552 -12.413) 13.221 7.918 ( 0.000 0.364 0.990) 1.055 7.938 ( 0.000 0.139 -1.043) 1.052 8.425 ( 0.000 4.667 3.125) 5.617 8.546 ( 0.000 1.655 -8.419) 8.580 9.539 ( 0.000 6.594 13.745) 15.245 9.725 ( -0.000 -0.621 -5.673) 5.707 10.359 ( -0.000 -1.974 2.224) 2.974 10.525 ( -0.000 -6.847 -13.495) 15.133 11.458 ( 0.000 2.229 10.043) 10.288 11.462 ( 0.000 2.174 6.573) 6.923 11.620 ( 0.000 0.290 -9.595) 9.599 11.688 ( 0.000 1.236 -13.891) 13.946 12.612 ( -0.000 -8.797 4.460) 9.863 12.708 ( -0.000 -9.866 -5.331) 11.214 13.642 ( 0.000 0.380 18.550) 18.554 13.959 ( -0.000 -1.989 2.178) 2.949 13.966 ( 0.000 0.232 -15.089) 15.091 14.016 ( -0.000 -2.280 -2.748) 3.570 15.781 ( 0.000 2.071 -1.150) 2.369 15.806 ( 0.000 2.323 -3.089) 3.865 16.159 ( -0.000 -12.438 26.343) 29.131 16.622 ( -0.000 -14.683 -21.062) 25.675 17.667 ( -0.000 -0.557 3.354) 3.400 17.731 ( -0.000 -0.497 -3.110) 3.149 22.657 ( 0.000 4.559 11.193) 12.086 22.892 ( 0.000 6.511 -13.426) 14.921 24.465 ( 0.000 9.228 24.041) 25.751 24.914 ( 0.000 6.604 -22.442) 23.394 ======================= Grid point 503 (168/171) ======================= q-point: (-0.57 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -1.104 -0.000 1.950) 2.241 1.879 ( -6.146 -0.000 -1.471) 6.320 2.647 ( 7.435 0.000 13.737) 15.621 2.762 ( 4.058 0.000 -1.605) 4.364 3.120 ( -6.326 -0.000 -6.161) 8.830 3.169 ( -7.120 -0.000 -13.440) 15.210 3.496 ( -3.552 -0.000 13.130) 13.602 3.661 ( -11.460 -0.000 -5.468) 12.698 4.069 ( -2.957 -0.000 8.429) 8.933 4.153 ( -5.262 -0.000 -0.230) 5.267 4.750 ( -18.862 -0.000 5.313) 19.596 4.921 ( -12.071 -0.000 -11.100) 16.399 5.050 ( -16.576 -0.000 3.359) 16.913 5.130 ( -20.605 -0.000 -4.371) 21.064 6.414 ( -29.122 -0.000 15.634) 33.054 6.526 ( -33.777 -0.000 3.259) 33.934 6.976 ( -18.140 -0.000 20.608) 27.455 7.158 ( -22.060 -0.000 7.667) 23.354 7.576 ( -8.955 -0.000 -6.562) 11.103 7.823 ( -10.387 -0.000 -25.486) 27.522 8.489 ( -21.756 -0.000 -0.397) 21.760 8.495 ( -21.665 -0.000 -1.504) 21.717 8.734 ( -17.419 -0.000 -0.197) 17.420 8.753 ( -9.258 -0.000 -2.401) 9.564 9.318 ( 11.336 0.000 7.713) 13.711 9.487 ( 11.085 0.000 -7.594) 13.437 9.876 ( 9.941 0.000 0.049) 9.941 9.900 ( 4.650 0.000 -0.463) 4.673 11.239 ( 5.048 0.000 12.097) 13.108 11.453 ( 5.870 0.000 -9.712) 11.348 12.329 ( 9.461 0.000 2.454) 9.774 12.391 ( 9.188 0.000 -3.615) 9.874 12.490 ( -31.372 -0.000 5.726) 31.890 12.621 ( -28.773 -0.000 -7.480) 29.730 13.144 ( 23.929 0.000 3.184) 24.140 13.276 ( 31.934 0.000 -10.000) 33.463 14.044 ( 7.787 0.000 9.985) 12.663 14.213 ( 7.792 0.000 -7.572) 10.865 14.552 ( 14.131 0.000 7.987) 16.232 14.706 ( 16.501 0.000 -7.867) 18.280 16.528 ( -27.625 -0.000 22.677) 35.741 16.932 ( -26.716 -0.000 -18.902) 32.727 19.420 ( -52.393 -0.000 0.768) 52.398 19.455 ( -53.389 -0.000 -2.763) 53.461 22.758 ( -2.367 -0.000 11.937) 12.170 23.013 ( -1.675 -0.000 -14.731) 14.826 24.430 ( 7.429 0.000 19.662) 21.018 24.769 ( 10.538 0.000 -15.678) 18.891 ======================= Grid point 505 (169/171) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 490 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -1.349 1.303 3.131) 3.650 1.872 ( 1.690 0.177 -3.238) 3.657 2.637 ( 0.569 24.023 8.462) 25.476 2.870 ( 3.541 20.055 -13.579) 24.477 2.994 ( 0.935 -17.308 10.793) 20.418 3.246 ( 1.527 -22.831 -13.608) 26.623 3.384 ( -9.113 -1.126 3.092) 9.689 3.436 ( -10.882 -1.805 -2.233) 11.254 4.022 ( -2.111 -0.278 4.727) 5.185 4.082 ( -1.055 -3.339 -1.365) 3.758 4.397 ( -7.164 20.629 7.411) 23.061 4.497 ( -15.482 23.451 -3.523) 28.321 4.770 ( -18.622 -21.323 3.827) 28.567 4.862 ( -16.570 -26.792 -4.281) 31.792 5.707 ( -41.318 1.277 9.570) 42.431 5.801 ( -27.135 0.850 1.761) 27.205 6.778 ( -5.667 1.557 26.775) 27.412 6.869 ( -7.352 3.266 21.871) 23.304 7.557 ( 2.260 -0.594 -11.418) 11.655 7.748 ( 1.371 3.277 -24.549) 24.804 8.069 ( -15.313 0.753 0.696) 15.347 8.090 ( -14.781 0.611 -1.800) 14.903 8.550 ( -5.060 2.226 -2.234) 5.962 8.593 ( -5.724 -1.976 -5.796) 8.382 9.593 ( 7.232 2.714 4.812) 9.101 9.627 ( 5.314 -2.061 1.883) 6.002 10.120 ( 18.892 2.861 1.483) 19.165 10.210 ( 18.977 -1.218 -8.286) 20.743 11.338 ( 3.184 -4.554 10.669) 12.030 11.553 ( 3.663 -0.947 -11.300) 11.917 11.854 ( -29.871 1.183 7.914) 30.924 12.042 ( -28.073 0.813 -11.421) 30.318 12.486 ( 6.994 1.276 3.084) 7.750 12.554 ( 6.320 -0.331 -3.682) 7.322 13.500 ( 12.963 0.385 12.181) 17.792 13.735 ( 15.552 0.197 -11.870) 19.565 14.044 ( -6.821 -1.368 5.412) 8.814 14.173 ( -9.031 -2.079 -7.199) 11.735 15.198 ( 45.062 -0.361 3.634) 45.210 15.299 ( 39.734 -0.660 -6.199) 40.221 16.125 ( -14.618 -4.197 25.039) 29.296 16.551 ( -13.621 -4.485 -19.047) 23.842 18.352 ( -54.265 0.594 1.067) 54.279 18.387 ( -53.223 0.378 -2.444) 53.281 22.722 ( -1.070 0.926 12.189) 12.271 22.984 ( -0.754 1.496 -15.299) 15.390 24.539 ( 4.355 2.155 22.328) 22.851 24.930 ( 6.186 1.389 -18.300) 19.367 ======================= Grid point 506 (170/171) ======================= q-point: (-0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 0.000 3.419 6.161) 7.046 1.885 ( 0.000 1.499 -4.559) 4.799 2.451 ( 0.000 26.318 6.625) 27.139 2.708 ( 0.000 25.593 -18.938) 31.838 3.221 ( -0.000 -23.709 16.011) 28.609 3.244 ( -0.000 -0.496 2.621) 2.668 3.291 ( -0.000 -2.022 -2.131) 2.937 3.481 ( -0.000 -25.186 -10.970) 27.471 4.022 ( -0.000 -4.079 4.115) 5.794 4.127 ( 0.000 20.898 1.983) 20.992 4.159 ( 0.000 21.700 -0.965) 21.721 4.169 ( -0.000 -3.821 -10.497) 11.171 4.819 ( -0.000 -22.081 1.046) 22.105 4.853 ( -0.000 -19.201 -2.443) 19.356 5.170 ( -0.000 -1.825 30.517) 30.572 5.529 ( 0.000 0.428 -7.432) 7.445 6.713 ( 0.000 0.801 25.385) 25.398 6.770 ( 0.000 6.206 21.087) 21.982 7.596 ( -0.000 -0.927 -10.079) 10.121 7.753 ( 0.000 5.045 -21.530) 22.113 7.922 ( 0.000 0.197 0.860) 0.883 7.939 ( 0.000 0.078 -0.923) 0.927 8.481 ( 0.000 3.202 -0.865) 3.316 8.550 ( -0.000 -1.095 -7.177) 7.260 9.616 ( 0.000 3.920 8.801) 9.635 9.701 ( -0.000 -2.198 -0.999) 2.414 10.363 ( 0.000 1.646 -0.034) 1.647 10.462 ( -0.000 -2.266 -9.856) 10.113 11.413 ( -0.000 -6.533 8.993) 11.116 11.483 ( 0.000 1.239 9.510) 9.591 11.608 ( -0.000 -1.512 -11.010) 11.114 11.701 ( 0.000 0.670 -13.258) 13.275 12.559 ( -0.000 -0.255 3.266) 3.276 12.630 ( -0.000 -2.267 -3.859) 4.476 13.646 ( 0.000 0.211 18.408) 18.409 13.938 ( -0.000 -1.025 0.620) 1.198 13.968 ( 0.000 0.128 -15.044) 15.044 13.987 ( -0.000 -1.674 -3.210) 3.620 15.802 ( 0.000 1.427 -0.167) 1.437 15.836 ( 0.000 1.075 -3.902) 4.047 16.025 ( -0.000 -6.369 25.023) 25.821 16.464 ( -0.000 -7.645 -19.602) 21.040 17.661 ( -0.000 -0.310 3.390) 3.404 17.725 ( -0.000 -0.276 -3.143) 3.155 22.702 ( 0.000 2.002 12.031) 12.196 22.961 ( 0.000 3.195 -15.103) 15.437 24.559 ( 0.000 4.365 23.516) 23.917 24.977 ( 0.000 2.734 -19.868) 20.056 ======================= Grid point 520 (171/171) ======================= q-point: ( 0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.72e-04 2.72e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 0.000 0.000 5.464) 5.464 1.895 ( 0.000 0.000 -3.832) 3.832 2.750 ( 0.000 0.000 3.306) 3.306 2.940 ( 0.000 0.000 17.748) 17.748 3.014 ( 0.000 0.000 -23.214) 23.214 3.179 ( 0.000 0.000 -7.102) 7.102 3.240 ( 0.000 0.000 1.996) 1.996 3.276 ( 0.000 0.000 -1.654) 1.654 3.991 ( 0.000 0.000 4.875) 4.875 4.141 ( 0.000 0.000 -10.234) 10.234 4.328 ( -0.000 -0.000 4.882) 4.882 4.423 ( -0.000 -0.000 -4.682) 4.682 4.554 ( 0.000 0.000 5.445) 5.445 4.664 ( 0.000 0.000 -5.932) 5.932 5.160 ( 0.000 0.000 30.162) 30.162 5.523 ( 0.000 0.000 -6.825) 6.825 6.731 ( -0.000 -0.000 27.190) 27.190 6.814 ( 0.000 0.000 24.892) 24.892 7.588 ( 0.000 0.000 -11.159) 11.159 7.795 ( 0.000 0.000 -25.655) 25.655 7.923 ( 0.000 0.000 0.816) 0.816 7.940 ( 0.000 0.000 -0.882) 0.882 8.515 ( 0.000 0.000 -4.474) 4.474 8.528 ( 0.000 0.000 -4.174) 4.174 9.645 ( 0.000 0.000 5.640) 5.640 9.681 ( 0.000 0.000 0.774) 0.774 10.378 ( 0.000 0.000 -0.407) 0.407 10.450 ( 0.000 0.000 -7.862) 7.862 11.355 ( 0.000 0.000 11.406) 11.406 11.492 ( 0.000 0.000 9.316) 9.316 11.593 ( 0.000 0.000 -13.063) 13.063 11.706 ( 0.000 0.000 -13.028) 13.028 12.564 ( 0.000 0.000 2.598) 2.598 12.617 ( 0.000 0.000 -2.831) 2.831 13.648 ( 0.000 0.000 18.356) 18.356 13.931 ( 0.000 0.000 -0.158) 0.158 13.969 ( 0.000 0.000 -15.027) 15.027 13.974 ( 0.000 0.000 -3.229) 3.229 15.819 ( 0.000 0.000 -1.881) 1.881 15.835 ( 0.000 0.000 -0.689) 0.689 15.982 ( 0.000 0.000 23.217) 23.217 16.410 ( 0.000 0.000 -19.112) 19.112 17.659 ( 0.000 0.000 3.403) 3.403 17.723 ( 0.000 0.000 -3.155) 3.155 22.715 ( 0.000 0.000 12.375) 12.375 22.983 ( 0.000 0.000 -15.667) 15.667 24.590 ( 0.000 0.000 23.202) 23.202 24.996 ( 0.000 0.000 -19.005) 19.005 =================== 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 3/47040 10.0 394.593 855.564 498.580 0.000 0.000 0.000 3/47040 20.0 71.776 87.690 85.345 0.000 0.000 0.000 3/47040 30.0 30.595 29.929 31.769 0.000 0.000 0.000 3/47040 40.0 18.547 16.820 18.341 0.000 0.000 0.000 3/47040 50.0 13.108 11.485 12.604 0.000 0.000 0.000 3/47040 60.0 10.109 8.632 9.459 0.000 0.000 0.000 3/47040 70.0 8.270 6.877 7.506 0.000 0.000 0.000 3/47040 80.0 7.059 5.701 6.194 0.000 0.000 0.000 3/47040 90.0 6.213 4.866 5.263 0.000 0.000 0.000 3/47040 100.0 5.593 4.246 4.574 0.000 0.000 0.000 3/47040 110.0 5.118 3.771 4.046 0.000 0.000 0.000 3/47040 120.0 4.741 3.395 3.631 0.000 0.000 0.000 3/47040 130.0 4.432 3.093 3.296 0.000 0.000 0.000 3/47040 140.0 4.174 2.844 3.021 0.000 0.000 0.000 3/47040 150.0 3.952 2.636 2.792 0.000 0.000 0.000 3/47040 160.0 3.760 2.460 2.598 0.000 0.000 0.000 3/47040 170.0 3.590 2.308 2.431 0.000 0.000 0.000 3/47040 180.0 3.438 2.177 2.286 0.000 0.000 0.000 3/47040 190.0 3.301 2.063 2.160 0.000 0.000 0.000 3/47040 200.0 3.177 1.961 2.048 0.000 0.000 0.000 3/47040 210.0 3.063 1.871 1.948 0.000 0.000 0.000 3/47040 220.0 2.958 1.790 1.859 0.000 0.000 0.000 3/47040 230.0 2.860 1.717 1.778 0.000 0.000 0.000 3/47040 240.0 2.770 1.650 1.705 0.000 0.000 0.000 3/47040 250.0 2.685 1.590 1.638 0.000 0.000 0.000 3/47040 260.0 2.606 1.534 1.577 0.000 0.000 0.000 3/47040 270.0 2.531 1.482 1.520 0.000 0.000 0.000 3/47040 280.0 2.461 1.434 1.468 0.000 0.000 0.000 3/47040 290.0 2.394 1.390 1.420 0.000 0.000 0.000 3/47040 300.0 2.331 1.349 1.375 0.000 0.000 0.000 3/47040 310.0 2.271 1.310 1.333 0.000 0.000 0.000 3/47040 320.0 2.214 1.273 1.293 0.000 0.000 0.000 3/47040 330.0 2.160 1.239 1.256 0.000 0.000 0.000 3/47040 340.0 2.109 1.207 1.221 0.000 0.000 0.000 3/47040 350.0 2.059 1.176 1.188 0.000 0.000 0.000 3/47040 360.0 2.012 1.147 1.157 0.000 0.000 0.000 3/47040 370.0 1.967 1.119 1.128 0.000 0.000 0.000 3/47040 380.0 1.924 1.093 1.100 0.000 0.000 0.000 3/47040 390.0 1.882 1.068 1.073 0.000 0.000 0.000 3/47040 400.0 1.843 1.044 1.048 0.000 0.000 0.000 3/47040 410.0 1.804 1.021 1.024 0.000 0.000 0.000 3/47040 420.0 1.768 1.000 1.001 0.000 0.000 0.000 3/47040 430.0 1.732 0.979 0.979 0.000 0.000 0.000 3/47040 440.0 1.698 0.959 0.958 0.000 0.000 0.000 3/47040 450.0 1.666 0.939 0.938 0.000 0.000 0.000 3/47040 460.0 1.634 0.921 0.918 0.000 0.000 0.000 3/47040 470.0 1.604 0.903 0.900 0.000 0.000 0.000 3/47040 480.0 1.574 0.886 0.882 0.000 0.000 0.000 3/47040 490.0 1.546 0.870 0.865 0.000 0.000 0.000 3/47040 500.0 1.518 0.854 0.849 0.000 0.000 0.000 3/47040 510.0 1.492 0.839 0.833 0.000 0.000 0.000 3/47040 520.0 1.466 0.824 0.818 0.000 0.000 0.000 3/47040 530.0 1.441 0.810 0.803 0.000 0.000 0.000 3/47040 540.0 1.417 0.796 0.789 0.000 0.000 0.000 3/47040 550.0 1.394 0.783 0.775 0.000 0.000 0.000 3/47040 560.0 1.372 0.770 0.762 0.000 0.000 0.000 3/47040 570.0 1.350 0.757 0.749 0.000 0.000 0.000 3/47040 580.0 1.329 0.745 0.737 0.000 0.000 0.000 3/47040 590.0 1.308 0.733 0.725 0.000 0.000 0.000 3/47040 600.0 1.288 0.722 0.713 0.000 0.000 0.000 3/47040 610.0 1.269 0.711 0.702 0.000 0.000 0.000 3/47040 620.0 1.250 0.700 0.691 0.000 0.000 0.000 3/47040 630.0 1.232 0.690 0.681 0.000 0.000 0.000 3/47040 640.0 1.214 0.680 0.671 0.000 0.000 0.000 3/47040 650.0 1.197 0.670 0.661 0.000 0.000 0.000 3/47040 660.0 1.180 0.661 0.651 0.000 0.000 0.000 3/47040 670.0 1.164 0.651 0.642 0.000 0.000 0.000 3/47040 680.0 1.148 0.642 0.633 0.000 0.000 0.000 3/47040 690.0 1.132 0.634 0.624 0.000 0.000 0.000 3/47040 700.0 1.117 0.625 0.615 0.000 0.000 0.000 3/47040 710.0 1.102 0.617 0.607 0.000 0.000 0.000 3/47040 720.0 1.088 0.609 0.599 0.000 0.000 0.000 3/47040 730.0 1.074 0.601 0.591 0.000 0.000 0.000 3/47040 740.0 1.060 0.593 0.583 0.000 0.000 0.000 3/47040 750.0 1.047 0.586 0.575 0.000 0.000 0.000 3/47040 760.0 1.034 0.578 0.568 0.000 0.000 0.000 3/47040 770.0 1.021 0.571 0.561 0.000 0.000 0.000 3/47040 780.0 1.009 0.564 0.554 0.000 0.000 0.000 3/47040 790.0 0.997 0.557 0.547 0.000 0.000 0.000 3/47040 800.0 0.985 0.551 0.540 0.000 0.000 0.000 3/47040 810.0 0.973 0.544 0.534 0.000 0.000 0.000 3/47040 820.0 0.962 0.538 0.528 0.000 0.000 0.000 3/47040 830.0 0.951 0.532 0.521 0.000 0.000 0.000 3/47040 840.0 0.940 0.526 0.515 0.000 0.000 0.000 3/47040 850.0 0.930 0.520 0.509 0.000 0.000 0.000 3/47040 860.0 0.919 0.514 0.504 0.000 0.000 0.000 3/47040 870.0 0.909 0.508 0.498 0.000 0.000 0.000 3/47040 880.0 0.900 0.503 0.493 0.000 0.000 0.000 3/47040 890.0 0.890 0.497 0.487 0.000 0.000 0.000 3/47040 900.0 0.880 0.492 0.482 0.000 0.000 0.000 3/47040 910.0 0.871 0.487 0.477 0.000 0.000 0.000 3/47040 920.0 0.862 0.482 0.472 0.000 0.000 0.000 3/47040 930.0 0.853 0.477 0.467 0.000 0.000 0.000 3/47040 940.0 0.844 0.472 0.462 0.000 0.000 0.000 3/47040 950.0 0.836 0.467 0.457 0.000 0.000 0.000 3/47040 960.0 0.827 0.462 0.452 0.000 0.000 0.000 3/47040 970.0 0.819 0.458 0.448 0.000 0.000 0.000 3/47040 980.0 0.811 0.453 0.443 0.000 0.000 0.000 3/47040 990.0 0.803 0.449 0.439 0.000 0.000 0.000 3/47040 1000.0 0.796 0.444 0.435 0.000 0.000 0.000 3/47040 Thermal conductivity related properties were written into "kappa-m14145.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:02:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|