----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:26:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.587607190000000 -3.958627655000000 0.000000000000000 b 2.587607190000000 3.958627655000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.492746160000000 Atomic positions (fractional): *1 O 0.77343238580537 0.69772736955449 0.75000000000000 15.999 2 O 0.22656761419463 0.30227263044551 0.25000000000000 15.999 3 O 0.69772736955449 0.77343238580537 0.25000000000000 15.999 4 O 0.30227263044551 0.22656761419463 0.75000000000000 15.999 *5 O 0.75071110320049 0.24928889679951 0.93787977548680 15.999 6 O 0.24928889679951 0.75071110320049 0.43787977548680 15.999 7 O 0.24928889679951 0.75071110320049 0.06212022451320 15.999 8 O 0.75071110320049 0.24928889679951 0.56212022451320 15.999 *9 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 10 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 *11 S 0.64938377380464 0.35061622619536 0.75000000000000 32.065 12 S 0.35061622619536 0.64938377380464 0.25000000000000 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.175214380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.917255310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.492746160000000 Atomic positions (fractional): *1 O 0.73557987767993 0.96214749187456 0.75000000000000 15.999 > 1 2 O 0.26442012232007 0.03785250812544 0.25000000000000 15.999 > 2 3 O 0.73557987767993 0.03785250812544 0.25000000000000 15.999 > 3 4 O 0.26442012232007 0.96214749187456 0.75000000000000 15.999 > 4 *5 O 0.50000000000000 0.74928889679951 0.93787977548680 15.999 > 5 6 O 0.50000000000000 0.25071110320049 0.43787977548680 15.999 > 6 7 O 0.50000000000000 0.25071110320049 0.06212022451320 15.999 > 7 8 O 0.50000000000000 0.74928889679951 0.56212022451320 15.999 > 8 9 O 0.23557987767993 0.46214749187456 0.75000000000000 15.999 > 1 10 O 0.76442012232007 0.53785250812544 0.25000000000000 15.999 > 2 11 O 0.23557987767993 0.53785250812544 0.25000000000000 15.999 > 3 12 O 0.76442012232007 0.46214749187456 0.75000000000000 15.999 > 4 13 O 0.00000000000000 0.24928889679951 0.93787977548680 15.999 > 5 14 O 0.00000000000000 0.75071110320049 0.43787977548680 15.999 > 6 15 O 0.00000000000000 0.75071110320049 0.06212022451320 15.999 > 7 16 O 0.00000000000000 0.24928889679951 0.56212022451320 15.999 > 8 *17 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 9 18 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 10 19 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 9 20 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 10 *21 S 0.50000000000000 0.85061622619536 0.75000000000000 32.065 > 11 22 S 0.50000000000000 0.14938377380464 0.25000000000000 32.065 > 12 23 S 0.00000000000000 0.35061622619536 0.75000000000000 32.065 > 11 24 S 0.00000000000000 0.64938377380464 0.25000000000000 32.065 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.350428760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.917255310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.985492320000001 Atomic positions (fractional): *1 O 0.36778993883997 0.96214749187456 0.37500000000000 15.999 > 1 2 O 0.86778993883997 0.96214749187456 0.37500000000000 15.999 > 1 3 O 0.36778993883997 0.96214749187456 0.87500000000000 15.999 > 1 4 O 0.86778993883997 0.96214749187456 0.87500000000000 15.999 > 1 5 O 0.13221006116004 0.03785250812544 0.12500000000000 15.999 > 2 6 O 0.63221006116003 0.03785250812544 0.12500000000000 15.999 > 2 7 O 0.13221006116004 0.03785250812544 0.62500000000000 15.999 > 2 8 O 0.63221006116003 0.03785250812544 0.62500000000000 15.999 > 2 9 O 0.36778993883997 0.03785250812544 0.12500000000000 15.999 > 3 10 O 0.86778993883997 0.03785250812544 0.12500000000000 15.999 > 3 11 O 0.36778993883997 0.03785250812544 0.62500000000000 15.999 > 3 12 O 0.86778993883997 0.03785250812544 0.62500000000000 15.999 > 3 13 O 0.13221006116004 0.96214749187456 0.37500000000000 15.999 > 4 14 O 0.63221006116003 0.96214749187456 0.37500000000000 15.999 > 4 15 O 0.13221006116004 0.96214749187456 0.87500000000000 15.999 > 4 16 O 0.63221006116003 0.96214749187456 0.87500000000000 15.999 > 4 *17 O 0.25000000000000 0.74928889679951 0.46893988774340 15.999 > 5 18 O 0.75000000000000 0.74928889679951 0.46893988774340 15.999 > 5 19 O 0.25000000000000 0.74928889679951 0.96893988774340 15.999 > 5 20 O 0.75000000000000 0.74928889679951 0.96893988774340 15.999 > 5 21 O 0.25000000000000 0.25071110320049 0.21893988774340 15.999 > 6 22 O 0.75000000000000 0.25071110320049 0.21893988774340 15.999 > 6 23 O 0.25000000000000 0.25071110320049 0.71893988774340 15.999 > 6 24 O 0.75000000000000 0.25071110320049 0.71893988774340 15.999 > 6 25 O 0.25000000000000 0.25071110320049 0.03106011225660 15.999 > 7 26 O 0.75000000000000 0.25071110320049 0.03106011225660 15.999 > 7 27 O 0.25000000000000 0.25071110320049 0.53106011225660 15.999 > 7 28 O 0.75000000000000 0.25071110320049 0.53106011225660 15.999 > 7 29 O 0.25000000000000 0.74928889679951 0.28106011225660 15.999 > 8 30 O 0.75000000000000 0.74928889679951 0.28106011225660 15.999 > 8 31 O 0.25000000000000 0.74928889679951 0.78106011225660 15.999 > 8 32 O 0.75000000000000 0.74928889679951 0.78106011225660 15.999 > 8 33 O 0.11778993883996 0.46214749187456 0.37500000000000 15.999 > 1 34 O 0.61778993883997 0.46214749187456 0.37500000000000 15.999 > 1 35 O 0.11778993883996 0.46214749187456 0.87500000000000 15.999 > 1 36 O 0.61778993883997 0.46214749187456 0.87500000000000 15.999 > 1 37 O 0.38221006116003 0.53785250812544 0.12500000000000 15.999 > 2 38 O 0.88221006116003 0.53785250812544 0.12500000000000 15.999 > 2 39 O 0.38221006116003 0.53785250812544 0.62500000000000 15.999 > 2 40 O 0.88221006116003 0.53785250812544 0.62500000000000 15.999 > 2 41 O 0.11778993883996 0.53785250812544 0.12500000000000 15.999 > 3 42 O 0.61778993883997 0.53785250812544 0.12500000000000 15.999 > 3 43 O 0.11778993883996 0.53785250812544 0.62500000000000 15.999 > 3 44 O 0.61778993883997 0.53785250812544 0.62500000000000 15.999 > 3 45 O 0.38221006116003 0.46214749187456 0.37500000000000 15.999 > 4 46 O 0.88221006116003 0.46214749187456 0.37500000000000 15.999 > 4 47 O 0.38221006116003 0.46214749187456 0.87500000000000 15.999 > 4 48 O 0.88221006116003 0.46214749187456 0.87500000000000 15.999 > 4 49 O 0.00000000000000 0.24928889679951 0.46893988774340 15.999 > 5 50 O 0.50000000000000 0.24928889679951 0.46893988774340 15.999 > 5 51 O 0.00000000000000 0.24928889679951 0.96893988774340 15.999 > 5 52 O 0.50000000000000 0.24928889679951 0.96893988774340 15.999 > 5 53 O 0.00000000000000 0.75071110320049 0.21893988774340 15.999 > 6 54 O 0.50000000000000 0.75071110320049 0.21893988774340 15.999 > 6 55 O 0.00000000000000 0.75071110320049 0.71893988774340 15.999 > 6 56 O 0.50000000000000 0.75071110320049 0.71893988774340 15.999 > 6 57 O 0.00000000000000 0.75071110320049 0.03106011225660 15.999 > 7 58 O 0.50000000000000 0.75071110320049 0.03106011225660 15.999 > 7 59 O 0.00000000000000 0.75071110320049 0.53106011225660 15.999 > 7 60 O 0.50000000000000 0.75071110320049 0.53106011225660 15.999 > 7 61 O 0.00000000000000 0.24928889679951 0.28106011225660 15.999 > 8 62 O 0.50000000000000 0.24928889679951 0.28106011225660 15.999 > 8 63 O 0.00000000000000 0.24928889679951 0.78106011225660 15.999 > 8 64 O 0.50000000000000 0.24928889679951 0.78106011225660 15.999 > 8 *65 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 9 66 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 9 67 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 9 68 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 9 69 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 10 70 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 10 71 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 10 72 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 10 73 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 9 74 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 9 75 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 9 76 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 9 77 Mg 0.25000000000000 0.50000000000000 0.25000000000000 24.305 > 10 78 Mg 0.75000000000000 0.50000000000000 0.25000000000000 24.305 > 10 79 Mg 0.25000000000000 0.50000000000000 0.75000000000000 24.305 > 10 80 Mg 0.75000000000000 0.50000000000000 0.75000000000000 24.305 > 10 *81 S 0.25000000000000 0.85061622619536 0.37500000000000 32.065 > 11 82 S 0.75000000000000 0.85061622619536 0.37500000000000 32.065 > 11 83 S 0.25000000000000 0.85061622619536 0.87500000000000 32.065 > 11 84 S 0.75000000000000 0.85061622619536 0.87500000000000 32.065 > 11 85 S 0.25000000000000 0.14938377380464 0.12500000000000 32.065 > 12 86 S 0.75000000000000 0.14938377380464 0.12500000000000 32.065 > 12 87 S 0.25000000000000 0.14938377380464 0.62500000000000 32.065 > 12 88 S 0.75000000000000 0.14938377380464 0.62500000000000 32.065 > 12 89 S 0.00000000000000 0.35061622619536 0.37500000000000 32.065 > 11 90 S 0.50000000000000 0.35061622619536 0.37500000000000 32.065 > 11 91 S 0.00000000000000 0.35061622619536 0.87500000000000 32.065 > 11 92 S 0.50000000000000 0.35061622619536 0.87500000000000 32.065 > 11 93 S 0.00000000000000 0.64938377380464 0.12500000000000 32.065 > 12 94 S 0.50000000000000 0.64938377380464 0.12500000000000 32.065 > 12 95 S 0.00000000000000 0.64938377380464 0.62500000000000 32.065 > 12 96 S 0.50000000000000 0.64938377380464 0.62500000000000 32.065 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6614380 0.0000000 0.0000000 0.0000000 2.6091178 0.0000000 0.0000000 0.0000000 2.6074305 -------------------------- Born effective charges -------------------------- 1 O -2.0972657 -0.7129009 0.0000000 -0.6838302 -1.3177146 0.0000000 0.0000000 0.0000000 -1.1896476 2 O -2.0972657 -0.7129009 0.0000000 -0.6838302 -1.3177146 0.0000000 0.0000000 0.0000000 -1.1896476 3 O -2.0972657 0.7129009 0.0000000 0.6838302 -1.3177146 0.0000000 0.0000000 0.0000000 -1.1896476 4 O -2.0972657 0.7129009 0.0000000 0.6838302 -1.3177146 0.0000000 0.0000000 0.0000000 -1.1896476 5 O -0.9226062 0.0000000 0.0000000 0.0000000 -1.5870822 0.5617683 0.0000000 0.6052494 -1.6074253 6 O -0.9226062 0.0000000 0.0000000 0.0000000 -1.5870822 -0.5617683 0.0000000 -0.6052494 -1.6074253 7 O -0.9226062 0.0000000 0.0000000 0.0000000 -1.5870822 0.5617683 0.0000000 0.6052494 -1.6074253 8 O -0.9226062 0.0000000 0.0000000 0.0000000 -1.5870822 -0.5617683 0.0000000 -0.6052494 -1.6074253 9 Mg 2.4069303 0.0000000 0.0000000 0.0000000 2.3421445 0.3429952 0.0000000 -0.3042197 2.1923405 10 Mg 2.4069303 0.0000000 0.0000000 0.0000000 2.3421445 -0.3429952 0.0000000 0.3042197 2.1923405 11 S 3.6328135 0.0000000 0.0000000 0.0000000 3.4674490 0.0000000 0.0000000 0.0000000 3.4018053 12 S 3.6328135 0.0000000 0.0000000 0.0000000 3.4674490 0.0000000 0.0000000 0.0000000 3.4018053 ---------------------------------------------------------------------------- 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: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 760 Number of blocks in projector: 760 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: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 94 Use standard eigh solver. Tree of FC basis block matrices: - (760, 742), data: False |-- (94, 94), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (128, 126), data: True |-- (160, 156), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.580 Solver_block: 200 / 240 - Time: 0.587 Solver_block: 240 / 240 - Time: 0.288 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.470 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 760 Number of blocks in projector: 760 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: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 94 Use standard eigh solver. Tree of FC basis block matrices: - (760, 742), data: False |-- (94, 94), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (128, 126), data: True |-- (160, 156), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:26:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:26:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.587607190000000 -3.958627655000000 0.000000000000000 b 2.587607190000000 3.958627655000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.492746160000000 Atomic positions (fractional): 1 O 0.77343238580537 0.69772736955449 0.75000000000000 15.999 2 O 0.22656761419463 0.30227263044551 0.25000000000000 15.999 3 O 0.69772736955449 0.77343238580537 0.25000000000000 15.999 4 O 0.30227263044551 0.22656761419463 0.75000000000000 15.999 5 O 0.75071110320049 0.24928889679951 0.93787977548680 15.999 6 O 0.24928889679951 0.75071110320049 0.43787977548680 15.999 7 O 0.24928889679951 0.75071110320049 0.06212022451320 15.999 8 O 0.75071110320049 0.24928889679951 0.56212022451320 15.999 9 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 10 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 11 S 0.64938377380464 0.35061622619536 0.75000000000000 32.065 12 S 0.35061622619536 0.64938377380464 0.25000000000000 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.350428760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.917255310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.985492320000001 Atomic positions (fractional): 1 O 0.36778993883997 0.96214749187456 0.37500000000000 15.999 > 1 2 O 0.86778993883997 0.96214749187456 0.37500000000000 15.999 > 1 3 O 0.36778993883997 0.96214749187456 0.87500000000000 15.999 > 1 4 O 0.86778993883997 0.96214749187456 0.87500000000000 15.999 > 1 5 O 0.13221006116004 0.03785250812544 0.12500000000000 15.999 > 5 6 O 0.63221006116003 0.03785250812544 0.12500000000000 15.999 > 5 7 O 0.13221006116004 0.03785250812544 0.62500000000000 15.999 > 5 8 O 0.63221006116003 0.03785250812544 0.62500000000000 15.999 > 5 9 O 0.36778993883997 0.03785250812544 0.12500000000000 15.999 > 9 10 O 0.86778993883997 0.03785250812544 0.12500000000000 15.999 > 9 11 O 0.36778993883997 0.03785250812544 0.62500000000000 15.999 > 9 12 O 0.86778993883997 0.03785250812544 0.62500000000000 15.999 > 9 13 O 0.13221006116004 0.96214749187456 0.37500000000000 15.999 > 13 14 O 0.63221006116003 0.96214749187456 0.37500000000000 15.999 > 13 15 O 0.13221006116004 0.96214749187456 0.87500000000000 15.999 > 13 16 O 0.63221006116003 0.96214749187456 0.87500000000000 15.999 > 13 17 O 0.25000000000000 0.74928889679951 0.46893988774340 15.999 > 17 18 O 0.75000000000000 0.74928889679951 0.46893988774340 15.999 > 17 19 O 0.25000000000000 0.74928889679951 0.96893988774340 15.999 > 17 20 O 0.75000000000000 0.74928889679951 0.96893988774340 15.999 > 17 21 O 0.25000000000000 0.25071110320049 0.21893988774340 15.999 > 21 22 O 0.75000000000000 0.25071110320049 0.21893988774340 15.999 > 21 23 O 0.25000000000000 0.25071110320049 0.71893988774340 15.999 > 21 24 O 0.75000000000000 0.25071110320049 0.71893988774340 15.999 > 21 25 O 0.25000000000000 0.25071110320049 0.03106011225660 15.999 > 25 26 O 0.75000000000000 0.25071110320049 0.03106011225660 15.999 > 25 27 O 0.25000000000000 0.25071110320049 0.53106011225660 15.999 > 25 28 O 0.75000000000000 0.25071110320049 0.53106011225660 15.999 > 25 29 O 0.25000000000000 0.74928889679951 0.28106011225660 15.999 > 29 30 O 0.75000000000000 0.74928889679951 0.28106011225660 15.999 > 29 31 O 0.25000000000000 0.74928889679951 0.78106011225660 15.999 > 29 32 O 0.75000000000000 0.74928889679951 0.78106011225660 15.999 > 29 33 O 0.11778993883996 0.46214749187456 0.37500000000000 15.999 > 1 34 O 0.61778993883997 0.46214749187456 0.37500000000000 15.999 > 1 35 O 0.11778993883996 0.46214749187456 0.87500000000000 15.999 > 1 36 O 0.61778993883997 0.46214749187456 0.87500000000000 15.999 > 1 37 O 0.38221006116003 0.53785250812544 0.12500000000000 15.999 > 5 38 O 0.88221006116003 0.53785250812544 0.12500000000000 15.999 > 5 39 O 0.38221006116003 0.53785250812544 0.62500000000000 15.999 > 5 40 O 0.88221006116003 0.53785250812544 0.62500000000000 15.999 > 5 41 O 0.11778993883996 0.53785250812544 0.12500000000000 15.999 > 9 42 O 0.61778993883997 0.53785250812544 0.12500000000000 15.999 > 9 43 O 0.11778993883996 0.53785250812544 0.62500000000000 15.999 > 9 44 O 0.61778993883997 0.53785250812544 0.62500000000000 15.999 > 9 45 O 0.38221006116003 0.46214749187456 0.37500000000000 15.999 > 13 46 O 0.88221006116003 0.46214749187456 0.37500000000000 15.999 > 13 47 O 0.38221006116003 0.46214749187456 0.87500000000000 15.999 > 13 48 O 0.88221006116003 0.46214749187456 0.87500000000000 15.999 > 13 49 O 0.00000000000000 0.24928889679951 0.46893988774340 15.999 > 17 50 O 0.50000000000000 0.24928889679951 0.46893988774340 15.999 > 17 51 O 0.00000000000000 0.24928889679951 0.96893988774340 15.999 > 17 52 O 0.50000000000000 0.24928889679951 0.96893988774340 15.999 > 17 53 O 0.00000000000000 0.75071110320049 0.21893988774340 15.999 > 21 54 O 0.50000000000000 0.75071110320049 0.21893988774340 15.999 > 21 55 O 0.00000000000000 0.75071110320049 0.71893988774340 15.999 > 21 56 O 0.50000000000000 0.75071110320049 0.71893988774340 15.999 > 21 57 O 0.00000000000000 0.75071110320049 0.03106011225660 15.999 > 25 58 O 0.50000000000000 0.75071110320049 0.03106011225660 15.999 > 25 59 O 0.00000000000000 0.75071110320049 0.53106011225660 15.999 > 25 60 O 0.50000000000000 0.75071110320049 0.53106011225660 15.999 > 25 61 O 0.00000000000000 0.24928889679951 0.28106011225660 15.999 > 29 62 O 0.50000000000000 0.24928889679951 0.28106011225660 15.999 > 29 63 O 0.00000000000000 0.24928889679951 0.78106011225660 15.999 > 29 64 O 0.50000000000000 0.24928889679951 0.78106011225660 15.999 > 29 65 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 65 66 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 65 67 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 65 68 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 65 69 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 69 70 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 69 71 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 69 72 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 69 73 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 65 74 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 65 75 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 65 76 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 65 77 Mg 0.25000000000000 0.50000000000000 0.25000000000000 24.305 > 69 78 Mg 0.75000000000000 0.50000000000000 0.25000000000000 24.305 > 69 79 Mg 0.25000000000000 0.50000000000000 0.75000000000000 24.305 > 69 80 Mg 0.75000000000000 0.50000000000000 0.75000000000000 24.305 > 69 81 S 0.25000000000000 0.85061622619536 0.37500000000000 32.065 > 81 82 S 0.75000000000000 0.85061622619536 0.37500000000000 32.065 > 81 83 S 0.25000000000000 0.85061622619536 0.87500000000000 32.065 > 81 84 S 0.75000000000000 0.85061622619536 0.87500000000000 32.065 > 81 85 S 0.25000000000000 0.14938377380464 0.12500000000000 32.065 > 85 86 S 0.75000000000000 0.14938377380464 0.12500000000000 32.065 > 85 87 S 0.25000000000000 0.14938377380464 0.62500000000000 32.065 > 85 88 S 0.75000000000000 0.14938377380464 0.62500000000000 32.065 > 85 89 S 0.00000000000000 0.35061622619536 0.37500000000000 32.065 > 81 90 S 0.50000000000000 0.35061622619536 0.37500000000000 32.065 > 81 91 S 0.00000000000000 0.35061622619536 0.87500000000000 32.065 > 81 92 S 0.50000000000000 0.35061622619536 0.87500000000000 32.065 > 81 93 S 0.00000000000000 0.64938377380464 0.12500000000000 32.065 > 85 94 S 0.50000000000000 0.64938377380464 0.12500000000000 32.065 > 85 95 S 0.00000000000000 0.64938377380464 0.62500000000000 32.065 > 85 96 S 0.50000000000000 0.64938377380464 0.62500000000000 32.065 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6614380 0.0000000 0.0000000 0.0000000 2.6091178 0.0000000 0.0000000 0.0000000 2.6074305 -------------------------- Born effective charges -------------------------- 1 O -2.0972657 -0.7129009 0.0000000 -0.6838302 -1.3177146 0.0000000 0.0000000 0.0000000 -1.1896476 2 O -2.0972657 -0.7129009 0.0000000 -0.6838302 -1.3177146 0.0000000 0.0000000 0.0000000 -1.1896476 3 O -2.0972657 0.7129009 0.0000000 0.6838302 -1.3177146 0.0000000 0.0000000 0.0000000 -1.1896476 4 O -2.0972657 0.7129009 0.0000000 0.6838302 -1.3177146 0.0000000 0.0000000 0.0000000 -1.1896476 5 O -0.9226062 0.0000000 0.0000000 0.0000000 -1.5870822 0.5617683 0.0000000 0.6052494 -1.6074253 6 O -0.9226062 0.0000000 0.0000000 0.0000000 -1.5870822 -0.5617683 0.0000000 -0.6052494 -1.6074253 7 O -0.9226062 0.0000000 0.0000000 0.0000000 -1.5870822 0.5617683 0.0000000 0.6052494 -1.6074253 8 O -0.9226062 0.0000000 0.0000000 0.0000000 -1.5870822 -0.5617683 0.0000000 -0.6052494 -1.6074253 9 Mg 2.4069303 0.0000000 0.0000000 0.0000000 2.3421445 0.3429952 0.0000000 -0.3042197 2.1923405 10 Mg 2.4069303 0.0000000 0.0000000 0.0000000 2.3421445 -0.3429952 0.0000000 0.3042197 2.1923405 11 S 3.6328135 0.0000000 0.0000000 0.0000000 3.4674490 0.0000000 0.0000000 0.0000000 3.4018053 12 S 3.6328135 0.0000000 0.0000000 0.0000000 3.4674490 0.0000000 0.0000000 0.0000000 3.4018053 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000014 (xyx) 0.00000014 (xyx) 0.00000014 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (yz) -0.00000005 (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 2026-01-07 22:26:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:26:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.587607190000000 -3.958627655000000 0.000000000000000 b 2.587607190000000 3.958627655000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.492746160000000 Atomic positions (fractional): 1 O 0.77343238580537 0.69772736955449 0.75000000000000 15.999 2 O 0.22656761419463 0.30227263044551 0.25000000000000 15.999 3 O 0.69772736955449 0.77343238580537 0.25000000000000 15.999 4 O 0.30227263044551 0.22656761419463 0.75000000000000 15.999 5 O 0.75071110320049 0.24928889679951 0.93787977548680 15.999 6 O 0.24928889679951 0.75071110320049 0.43787977548680 15.999 7 O 0.24928889679951 0.75071110320049 0.06212022451320 15.999 8 O 0.75071110320049 0.24928889679951 0.56212022451320 15.999 9 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 10 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 11 S 0.64938377380464 0.35061622619536 0.75000000000000 32.065 12 S 0.35061622619536 0.64938377380464 0.25000000000000 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.350428760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.917255310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.985492320000001 Atomic positions (fractional): 1 O 0.36778993883997 0.96214749187456 0.37500000000000 15.999 > 1 2 O 0.86778993883997 0.96214749187456 0.37500000000000 15.999 > 1 3 O 0.36778993883997 0.96214749187456 0.87500000000000 15.999 > 1 4 O 0.86778993883997 0.96214749187456 0.87500000000000 15.999 > 1 5 O 0.13221006116004 0.03785250812544 0.12500000000000 15.999 > 5 6 O 0.63221006116003 0.03785250812544 0.12500000000000 15.999 > 5 7 O 0.13221006116004 0.03785250812544 0.62500000000000 15.999 > 5 8 O 0.63221006116003 0.03785250812544 0.62500000000000 15.999 > 5 9 O 0.36778993883997 0.03785250812544 0.12500000000000 15.999 > 9 10 O 0.86778993883997 0.03785250812544 0.12500000000000 15.999 > 9 11 O 0.36778993883997 0.03785250812544 0.62500000000000 15.999 > 9 12 O 0.86778993883997 0.03785250812544 0.62500000000000 15.999 > 9 13 O 0.13221006116004 0.96214749187456 0.37500000000000 15.999 > 13 14 O 0.63221006116003 0.96214749187456 0.37500000000000 15.999 > 13 15 O 0.13221006116004 0.96214749187456 0.87500000000000 15.999 > 13 16 O 0.63221006116003 0.96214749187456 0.87500000000000 15.999 > 13 17 O 0.25000000000000 0.74928889679951 0.46893988774340 15.999 > 17 18 O 0.75000000000000 0.74928889679951 0.46893988774340 15.999 > 17 19 O 0.25000000000000 0.74928889679951 0.96893988774340 15.999 > 17 20 O 0.75000000000000 0.74928889679951 0.96893988774340 15.999 > 17 21 O 0.25000000000000 0.25071110320049 0.21893988774340 15.999 > 21 22 O 0.75000000000000 0.25071110320049 0.21893988774340 15.999 > 21 23 O 0.25000000000000 0.25071110320049 0.71893988774340 15.999 > 21 24 O 0.75000000000000 0.25071110320049 0.71893988774340 15.999 > 21 25 O 0.25000000000000 0.25071110320049 0.03106011225660 15.999 > 25 26 O 0.75000000000000 0.25071110320049 0.03106011225660 15.999 > 25 27 O 0.25000000000000 0.25071110320049 0.53106011225660 15.999 > 25 28 O 0.75000000000000 0.25071110320049 0.53106011225660 15.999 > 25 29 O 0.25000000000000 0.74928889679951 0.28106011225660 15.999 > 29 30 O 0.75000000000000 0.74928889679951 0.28106011225660 15.999 > 29 31 O 0.25000000000000 0.74928889679951 0.78106011225660 15.999 > 29 32 O 0.75000000000000 0.74928889679951 0.78106011225660 15.999 > 29 33 O 0.11778993883996 0.46214749187456 0.37500000000000 15.999 > 1 34 O 0.61778993883997 0.46214749187456 0.37500000000000 15.999 > 1 35 O 0.11778993883996 0.46214749187456 0.87500000000000 15.999 > 1 36 O 0.61778993883997 0.46214749187456 0.87500000000000 15.999 > 1 37 O 0.38221006116003 0.53785250812544 0.12500000000000 15.999 > 5 38 O 0.88221006116003 0.53785250812544 0.12500000000000 15.999 > 5 39 O 0.38221006116003 0.53785250812544 0.62500000000000 15.999 > 5 40 O 0.88221006116003 0.53785250812544 0.62500000000000 15.999 > 5 41 O 0.11778993883996 0.53785250812544 0.12500000000000 15.999 > 9 42 O 0.61778993883997 0.53785250812544 0.12500000000000 15.999 > 9 43 O 0.11778993883996 0.53785250812544 0.62500000000000 15.999 > 9 44 O 0.61778993883997 0.53785250812544 0.62500000000000 15.999 > 9 45 O 0.38221006116003 0.46214749187456 0.37500000000000 15.999 > 13 46 O 0.88221006116003 0.46214749187456 0.37500000000000 15.999 > 13 47 O 0.38221006116003 0.46214749187456 0.87500000000000 15.999 > 13 48 O 0.88221006116003 0.46214749187456 0.87500000000000 15.999 > 13 49 O 0.00000000000000 0.24928889679951 0.46893988774340 15.999 > 17 50 O 0.50000000000000 0.24928889679951 0.46893988774340 15.999 > 17 51 O 0.00000000000000 0.24928889679951 0.96893988774340 15.999 > 17 52 O 0.50000000000000 0.24928889679951 0.96893988774340 15.999 > 17 53 O 0.00000000000000 0.75071110320049 0.21893988774340 15.999 > 21 54 O 0.50000000000000 0.75071110320049 0.21893988774340 15.999 > 21 55 O 0.00000000000000 0.75071110320049 0.71893988774340 15.999 > 21 56 O 0.50000000000000 0.75071110320049 0.71893988774340 15.999 > 21 57 O 0.00000000000000 0.75071110320049 0.03106011225660 15.999 > 25 58 O 0.50000000000000 0.75071110320049 0.03106011225660 15.999 > 25 59 O 0.00000000000000 0.75071110320049 0.53106011225660 15.999 > 25 60 O 0.50000000000000 0.75071110320049 0.53106011225660 15.999 > 25 61 O 0.00000000000000 0.24928889679951 0.28106011225660 15.999 > 29 62 O 0.50000000000000 0.24928889679951 0.28106011225660 15.999 > 29 63 O 0.00000000000000 0.24928889679951 0.78106011225660 15.999 > 29 64 O 0.50000000000000 0.24928889679951 0.78106011225660 15.999 > 29 65 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 65 66 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 65 67 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 65 68 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 65 69 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 69 70 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 69 71 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 69 72 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 69 73 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 65 74 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 65 75 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 65 76 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 65 77 Mg 0.25000000000000 0.50000000000000 0.25000000000000 24.305 > 69 78 Mg 0.75000000000000 0.50000000000000 0.25000000000000 24.305 > 69 79 Mg 0.25000000000000 0.50000000000000 0.75000000000000 24.305 > 69 80 Mg 0.75000000000000 0.50000000000000 0.75000000000000 24.305 > 69 81 S 0.25000000000000 0.85061622619536 0.37500000000000 32.065 > 81 82 S 0.75000000000000 0.85061622619536 0.37500000000000 32.065 > 81 83 S 0.25000000000000 0.85061622619536 0.87500000000000 32.065 > 81 84 S 0.75000000000000 0.85061622619536 0.87500000000000 32.065 > 81 85 S 0.25000000000000 0.14938377380464 0.12500000000000 32.065 > 85 86 S 0.75000000000000 0.14938377380464 0.12500000000000 32.065 > 85 87 S 0.25000000000000 0.14938377380464 0.62500000000000 32.065 > 85 88 S 0.75000000000000 0.14938377380464 0.62500000000000 32.065 > 85 89 S 0.00000000000000 0.35061622619536 0.37500000000000 32.065 > 81 90 S 0.50000000000000 0.35061622619536 0.37500000000000 32.065 > 81 91 S 0.00000000000000 0.35061622619536 0.87500000000000 32.065 > 81 92 S 0.50000000000000 0.35061622619536 0.87500000000000 32.065 > 81 93 S 0.00000000000000 0.64938377380464 0.12500000000000 32.065 > 85 94 S 0.50000000000000 0.64938377380464 0.12500000000000 32.065 > 85 95 S 0.00000000000000 0.64938377380464 0.62500000000000 32.065 > 85 96 S 0.50000000000000 0.64938377380464 0.62500000000000 32.065 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6614380 0.0000000 0.0000000 0.0000000 2.6091178 0.0000000 0.0000000 0.0000000 2.6074305 -------------------------- Born effective charges -------------------------- 1 O -2.0972657 -0.7129009 0.0000000 -0.6838302 -1.3177146 0.0000000 0.0000000 0.0000000 -1.1896476 2 O -2.0972657 -0.7129009 0.0000000 -0.6838302 -1.3177146 0.0000000 0.0000000 0.0000000 -1.1896476 3 O -2.0972657 0.7129009 0.0000000 0.6838302 -1.3177146 0.0000000 0.0000000 0.0000000 -1.1896476 4 O -2.0972657 0.7129009 0.0000000 0.6838302 -1.3177146 0.0000000 0.0000000 0.0000000 -1.1896476 5 O -0.9226062 0.0000000 0.0000000 0.0000000 -1.5870822 0.5617683 0.0000000 0.6052494 -1.6074253 6 O -0.9226062 0.0000000 0.0000000 0.0000000 -1.5870822 -0.5617683 0.0000000 -0.6052494 -1.6074253 7 O -0.9226062 0.0000000 0.0000000 0.0000000 -1.5870822 0.5617683 0.0000000 0.6052494 -1.6074253 8 O -0.9226062 0.0000000 0.0000000 0.0000000 -1.5870822 -0.5617683 0.0000000 -0.6052494 -1.6074253 9 Mg 2.4069303 0.0000000 0.0000000 0.0000000 2.3421445 0.3429952 0.0000000 -0.3042197 2.1923405 10 Mg 2.4069303 0.0000000 0.0000000 0.0000000 2.3421445 -0.3429952 0.0000000 0.3042197 2.1923405 11 S 3.6328135 0.0000000 0.0000000 0.0000000 3.4674490 0.0000000 0.0000000 0.0000000 3.4018053 12 S 3.6328135 0.0000000 0.0000000 0.0000000 3.4674490 0.0000000 0.0000000 0.0000000 3.4018053 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000014 (xyx) 0.00000014 (xyx) 0.00000014 (xxy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 12 12 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.81, Number of G-points: 305, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/215) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 215 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 4.397 ( 0.000 0.000 0.000) 0.000 4.423 ( 0.000 0.000 0.000) 0.000 5.089 ( 0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.971 ( 0.000 0.000 0.000) 0.000 6.707 ( 0.000 0.000 0.000) 0.000 6.845 ( 0.000 0.000 0.000) 0.000 7.420 ( 0.000 0.000 0.000) 0.000 7.933 ( 0.000 0.000 0.000) 0.000 8.090 ( 0.000 0.000 0.000) 0.000 8.800 ( 0.000 0.000 0.000) 0.000 9.996 ( 0.000 0.000 0.000) 0.000 11.550 ( 0.000 0.000 0.000) 0.000 12.370 ( 0.000 0.000 0.000) 0.000 13.286 ( 0.000 0.000 0.000) 0.000 13.937 ( 0.000 0.000 0.000) 0.000 14.170 ( 0.000 0.000 0.000) 0.000 14.293 ( 0.000 0.000 0.000) 0.000 17.441 ( 0.000 0.000 0.000) 0.000 17.525 ( 0.000 0.000 0.000) 0.000 17.572 ( 0.000 0.000 0.000) 0.000 17.635 ( 0.000 0.000 0.000) 0.000 19.621 ( 0.000 0.000 0.000) 0.000 19.983 ( 0.000 0.000 0.000) 0.000 28.808 ( 0.000 0.000 0.000) 0.000 28.816 ( 0.000 0.000 0.000) 0.000 29.139 ( 0.000 0.000 0.000) 0.000 29.837 ( 0.000 0.000 0.000) 0.000 33.028 ( 0.000 0.000 0.000) 0.000 33.365 ( 0.000 0.000 0.000) 0.000 34.701 ( 0.000 0.000 0.000) 0.000 36.742 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/215) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 36.282 -25.246 0.000) 44.201 0.897 ( 25.429 -44.618 0.000) 51.356 1.443 ( 75.116 -21.054 0.000) 78.011 4.387 ( -4.986 -1.063 0.000) 5.098 4.743 ( 19.058 7.300 0.000) 20.408 5.172 ( -1.504 -1.148 0.000) 1.892 5.243 ( 17.726 -0.356 0.000) 17.730 5.515 ( 3.388 0.108 0.000) 3.390 6.007 ( 3.253 -1.277 0.000) 3.495 6.703 ( 2.582 7.423 0.000) 7.860 6.835 ( -3.091 -3.317 0.000) 4.534 7.217 ( -15.066 6.651 0.000) 16.469 8.187 ( 8.996 1.576 0.000) 9.133 8.788 ( -3.490 -3.288 0.000) 4.795 9.412 ( 48.720 79.785 0.000) 93.484 11.355 ( 11.148 40.180 0.000) 41.698 11.504 ( -3.805 2.517 0.000) 4.562 12.671 ( -14.174 -6.669 0.000) 15.665 13.298 ( -3.025 -6.614 0.000) 7.273 13.943 ( 3.735 4.424 0.000) 5.790 14.324 ( 0.377 -4.791 0.000) 4.806 14.493 ( -31.434 -37.219 0.000) 48.717 17.460 ( 1.886 4.066 0.000) 4.482 17.539 ( 0.471 -0.837 0.000) 0.961 17.623 ( -3.054 -1.865 0.000) 3.578 17.797 ( -7.864 -21.490 0.000) 22.883 19.571 ( 0.365 8.657 0.000) 8.664 20.042 ( -0.535 -10.391 0.000) 10.405 28.754 ( -10.528 -4.825 0.000) 11.581 28.809 ( -2.712 -2.583 0.000) 3.745 29.325 ( 18.551 -0.773 0.000) 18.567 31.743 ( 81.738 128.256 0.000) 152.088 33.059 ( 1.347 -3.670 0.000) 3.910 34.728 ( 2.800 -0.830 0.000) 2.920 35.184 ( -64.812 -96.923 0.000) 116.596 36.699 ( -4.299 1.484 0.000) 4.548 ======================= Grid point 2 (3/215) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 370 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 34.923 -23.370 0.000) 42.021 1.741 ( 23.754 -39.837 0.000) 46.382 2.848 ( 70.721 -22.097 0.000) 74.093 4.293 ( -8.285 -1.896 0.000) 8.499 5.072 ( 26.618 1.431 0.000) 26.657 5.144 ( -3.436 -0.864 0.000) 3.543 5.597 ( 5.511 -1.883 0.000) 5.824 5.603 ( 24.556 1.343 0.000) 24.593 6.090 ( 6.761 0.034 0.000) 6.761 6.495 ( -11.456 21.260 0.000) 24.150 6.831 ( -4.260 -7.845 0.000) 8.927 7.025 ( -1.055 -0.130 0.000) 1.063 8.261 ( 4.767 6.800 0.000) 8.305 8.757 ( -5.402 -4.037 0.000) 6.743 9.330 ( 18.333 38.312 0.000) 42.472 11.012 ( -11.663 22.917 0.000) 25.714 11.391 ( -5.787 3.357 0.000) 6.690 12.456 ( -11.523 7.418 0.000) 13.704 13.320 ( -4.654 -9.120 0.000) 10.239 13.969 ( 6.398 6.082 0.000) 8.828 14.348 ( -16.992 -10.330 0.000) 19.886 14.391 ( 0.231 -6.495 0.000) 6.499 17.451 ( 0.761 1.687 0.000) 1.851 17.526 ( -3.408 0.210 0.000) 3.414 17.599 ( -0.793 -1.372 0.000) 1.585 17.937 ( 1.245 -14.156 0.000) 14.211 19.478 ( 0.438 9.446 0.000) 9.456 20.156 ( -0.709 -12.433 0.000) 12.454 28.646 ( -6.579 -0.995 0.000) 6.654 28.787 ( -4.556 -4.403 0.000) 6.336 29.687 ( 24.243 -0.985 0.000) 24.263 31.698 ( 36.124 60.211 0.000) 70.216 33.139 ( 1.788 -6.263 0.000) 6.513 34.808 ( 5.576 -1.686 0.000) 5.825 35.152 ( -31.393 -44.302 0.000) 54.298 36.576 ( -8.106 2.770 0.000) 8.566 ======================= Grid point 3 (4/215) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 32.403 -20.039 0.000) 38.099 2.489 ( 21.166 -32.997 0.000) 39.202 4.163 ( 62.665 -21.921 0.000) 66.388 4.167 ( -9.907 -2.182 0.000) 10.144 5.075 ( -5.181 0.913 0.000) 5.261 5.506 ( 21.441 -2.830 0.000) 21.627 5.691 ( -1.158 -0.485 0.000) 1.255 5.884 ( 18.294 8.279 0.000) 20.081 6.057 ( -9.515 15.865 0.000) 18.500 6.307 ( 20.318 -1.253 0.000) 20.357 6.867 ( -3.886 -10.946 0.000) 11.615 7.088 ( 7.833 2.732 0.000) 8.296 8.201 ( -1.522 8.592 0.000) 8.726 8.684 ( -7.124 -0.440 0.000) 7.138 9.198 ( 6.424 24.371 0.000) 25.203 10.530 ( -21.745 15.958 0.000) 26.972 11.269 ( -5.205 2.144 0.000) 5.629 12.161 ( -11.711 12.060 0.000) 16.810 13.338 ( -5.160 -9.323 0.000) 10.656 14.019 ( 7.406 5.762 0.000) 9.383 14.184 ( -10.204 -1.033 0.000) 10.256 14.457 ( -0.440 -5.939 0.000) 5.955 17.446 ( -1.481 2.567 0.000) 2.964 17.452 ( -2.573 -1.146 0.000) 2.817 17.613 ( 0.487 -0.834 0.000) 0.966 18.112 ( 3.369 -11.070 0.000) 11.572 19.394 ( 0.385 7.518 0.000) 7.528 20.270 ( -0.668 -10.927 0.000) 10.947 28.561 ( -4.008 1.134 0.000) 4.165 28.757 ( -5.389 -5.321 0.000) 7.573 30.096 ( 24.468 -1.008 0.000) 24.489 31.643 ( 19.479 35.223 0.000) 40.251 33.238 ( 1.419 -7.147 0.000) 7.287 34.942 ( 8.237 -2.551 0.000) 8.623 35.109 ( -19.035 -25.034 0.000) 31.449 36.386 ( -11.058 3.728 0.000) 11.670 ======================= Grid point 4 (5/215) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 370 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( 17.612 -25.003 0.000) 30.583 3.140 ( 27.974 -15.086 0.000) 31.783 4.026 ( -9.838 -1.714 0.000) 9.986 4.964 ( -5.533 3.150 0.000) 6.367 5.229 ( 38.697 -8.644 0.000) 39.651 5.383 ( -17.548 14.514 0.000) 22.773 5.678 ( 6.112 -8.378 0.000) 10.370 6.102 ( 9.137 -10.749 0.000) 14.108 6.284 ( 36.941 3.267 0.000) 37.085 6.641 ( 15.300 -1.041 0.000) 15.335 6.934 ( -0.226 -9.661 0.000) 9.664 7.167 ( 8.591 9.792 0.000) 13.026 8.060 ( -4.960 6.404 0.000) 8.100 8.538 ( -8.739 3.076 0.000) 9.265 9.022 ( -1.267 17.713 0.000) 17.758 10.011 ( -24.520 9.970 0.000) 26.469 11.188 ( -3.139 0.371 0.000) 3.161 11.849 ( -10.325 12.191 0.000) 15.976 13.349 ( -4.792 -7.947 0.000) 9.280 14.052 ( -5.283 2.212 0.000) 5.728 14.079 ( 6.593 4.444 0.000) 7.952 14.499 ( -1.078 -4.387 0.000) 4.518 17.371 ( -3.432 1.091 0.000) 3.601 17.459 ( 0.735 -0.059 0.000) 0.738 17.625 ( 0.102 -0.519 0.000) 0.528 18.266 ( 3.154 -7.785 0.000) 8.400 19.334 ( 0.261 4.993 0.000) 5.000 20.360 ( -0.490 -7.895 0.000) 7.910 28.493 ( -2.384 1.940 0.000) 3.074 28.728 ( -4.773 -4.804 0.000) 6.772 30.470 ( 20.030 -0.864 0.000) 20.048 31.586 ( 10.043 20.753 0.000) 23.055 33.328 ( 0.805 -6.168 0.000) 6.220 35.069 ( -11.431 -14.131 0.000) 18.175 35.126 ( 10.599 -3.354 0.000) 11.117 36.148 ( -12.957 4.310 0.000) 13.655 ======================= Grid point 5 (6/215) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( 11.428 -14.932 0.000) 18.804 3.635 ( 15.293 -6.519 0.000) 16.624 3.929 ( -1.787 -3.511 0.000) 3.939 4.846 ( -3.786 4.799 0.000) 6.113 4.993 ( -14.271 7.875 0.000) 16.299 5.339 ( -3.047 7.453 0.000) 8.052 6.225 ( 26.058 -13.533 0.000) 29.362 6.423 ( 9.821 -19.076 0.000) 21.456 6.730 ( -1.670 -3.316 0.000) 3.713 6.870 ( 23.938 -3.557 0.000) 24.201 7.103 ( 1.654 19.580 0.000) 19.649 7.116 ( 17.127 -2.781 0.000) 17.351 7.956 ( -2.164 0.636 0.000) 2.255 8.365 ( -7.355 3.421 0.000) 8.111 8.760 ( -11.640 12.748 0.000) 17.263 9.590 ( -16.015 4.522 0.000) 16.641 11.154 ( -1.258 -0.345 0.000) 1.304 11.604 ( -6.148 7.834 0.000) 9.959 13.352 ( -3.097 -4.695 0.000) 5.624 13.971 ( -1.966 2.023 0.000) 2.821 14.130 ( 3.986 2.469 0.000) 4.688 14.517 ( -0.995 -2.362 0.000) 2.563 17.319 ( -1.799 0.613 0.000) 1.901 17.472 ( 0.749 -0.069 0.000) 0.752 17.628 ( -0.241 -0.243 0.000) 0.342 18.370 ( 1.841 -4.039 0.000) 4.439 19.297 ( 0.122 2.460 0.000) 2.463 20.418 ( -0.251 -4.109 0.000) 4.117 28.446 ( -1.152 1.397 0.000) 1.811 28.707 ( -2.796 -2.850 0.000) 3.993 30.739 ( 11.667 -0.694 0.000) 11.687 31.533 ( 3.759 10.027 0.000) 10.708 33.389 ( 0.321 -3.568 0.000) 3.582 35.041 ( -5.430 -6.445 0.000) 8.428 35.350 ( 12.322 -3.963 0.000) 12.944 35.885 ( -13.649 4.489 0.000) 14.369 ======================= Grid point 6 (7/215) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.728 ( 0.000 -0.000 0.000) 0.000 3.743 ( 0.000 -0.000 0.000) 0.000 4.027 ( 0.000 -0.000 0.000) 0.000 4.747 ( 0.000 -0.000 0.000) 0.000 4.845 ( 0.000 -0.000 0.000) 0.000 5.257 ( 0.000 -0.000 0.000) 0.000 6.596 ( -0.000 0.000 0.000) 0.000 6.629 ( 0.000 -0.000 0.000) 0.000 6.727 ( 0.000 -0.000 0.000) 0.000 6.885 ( -0.000 0.000 0.000) 0.000 7.042 ( 0.000 -0.000 0.000) 0.000 7.416 ( 0.000 -0.000 0.000) 0.000 7.951 ( 0.000 -0.000 0.000) 0.000 8.275 ( 0.000 -0.000 0.000) 0.000 8.517 ( 0.000 -0.000 0.000) 0.000 9.438 ( 0.000 -0.000 0.000) 0.000 11.147 ( 0.000 -0.000 0.000) 0.000 11.510 ( 0.000 -0.000 0.000) 0.000 13.351 ( 0.000 -0.000 0.000) 0.000 13.945 ( 0.000 -0.000 0.000) 0.000 14.150 ( 0.000 -0.000 0.000) 0.000 14.521 ( 0.000 0.000 0.000) 0.000 17.301 ( 0.000 -0.000 0.000) 0.000 17.480 ( 0.000 -0.000 0.000) 0.000 17.626 ( 0.000 -0.000 0.000) 0.000 18.406 ( 0.000 -0.000 0.000) 0.000 19.286 ( 0.000 -0.000 0.000) 0.000 20.438 ( 0.000 -0.000 0.000) 0.000 28.429 ( 0.000 -0.000 0.000) 0.000 28.699 ( 0.000 -0.000 0.000) 0.000 30.840 ( 0.000 -0.000 0.000) 0.000 31.508 ( 0.000 -0.000 0.000) 0.000 33.411 ( 0.000 -0.000 0.000) 0.000 35.031 ( 0.000 -0.000 0.000) 0.000 35.564 ( 0.000 -0.000 0.000) 0.000 35.658 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/215) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 38.935 -0.000 0.000) 38.935 1.417 ( 43.214 -0.000 0.000) 43.214 2.613 ( 76.158 -0.000 0.000) 76.158 4.272 ( -8.164 0.000 0.000) 8.164 5.091 ( 23.006 -0.000 0.000) 23.006 5.135 ( -2.500 0.000 0.000) 2.500 5.579 ( 4.300 -0.000 0.000) 4.300 5.620 ( 27.213 -0.000 0.000) 27.213 6.102 ( 8.674 -0.000 0.000) 8.674 6.737 ( -6.323 0.000 0.000) 6.323 6.846 ( 8.250 -0.000 0.000) 8.250 6.892 ( -25.208 0.000 0.000) 25.208 8.369 ( 9.728 -0.000 0.000) 9.728 8.688 ( -6.290 0.000 0.000) 6.290 9.852 ( -8.116 0.000 0.000) 8.116 11.425 ( -7.257 0.000 0.000) 7.257 11.679 ( -25.084 0.000 0.000) 25.084 12.182 ( -10.542 0.000 0.000) 10.542 13.275 ( -1.094 0.000 0.000) 1.094 14.052 ( 6.505 -0.000 0.000) 6.505 14.142 ( -1.282 0.000 0.000) 1.282 14.304 ( 0.396 -0.000 0.000) 0.396 17.507 ( -3.469 0.000 0.000) 3.469 17.534 ( 0.290 -0.000 0.000) 0.290 17.558 ( 1.845 -0.000 0.000) 1.845 17.709 ( 4.175 -0.000 0.000) 4.175 19.638 ( 1.139 -0.000 0.000) 1.139 19.964 ( -1.078 0.000 0.000) 1.078 28.633 ( -4.148 0.000 0.000) 4.148 28.737 ( -4.607 0.000 0.000) 4.607 29.677 ( 24.466 -0.000 0.000) 24.466 32.843 ( -9.832 0.000 0.000) 9.832 33.334 ( -1.508 0.000 0.000) 1.508 33.976 ( 8.514 -0.000 0.000) 8.514 34.790 ( 5.508 -0.000 0.000) 5.508 36.606 ( -8.168 0.000 0.000) 8.168 ======================= Grid point 15 (9/215) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 36.887 -15.938 0.000) 40.183 2.146 ( 40.327 -8.545 0.000) 41.223 3.819 ( 66.874 -9.022 0.000) 67.480 4.134 ( -9.359 -0.848 0.000) 9.397 5.086 ( -3.576 0.225 0.000) 3.583 5.487 ( 23.995 0.162 0.000) 23.995 5.651 ( 3.504 -1.379 0.000) 3.765 6.028 ( 22.621 4.292 0.000) 23.025 6.296 ( 17.554 0.115 0.000) 17.555 6.391 ( -25.242 11.494 0.000) 27.736 6.663 ( -6.000 -6.667 0.000) 8.969 7.034 ( 9.091 -4.830 0.000) 10.294 8.419 ( 2.026 10.127 0.000) 10.328 8.621 ( -5.231 -5.331 0.000) 7.468 9.644 ( -6.182 12.656 0.000) 14.085 11.016 ( -27.658 27.096 0.000) 38.719 11.290 ( -8.522 0.268 0.000) 8.526 12.109 ( -17.773 -15.782 0.000) 23.769 13.241 ( -1.928 0.608 0.000) 2.022 14.139 ( 7.237 4.925 0.000) 8.754 14.140 ( -2.533 -2.462 0.000) 3.532 14.336 ( 0.232 -4.891 0.000) 4.897 17.447 ( -3.274 0.422 0.000) 3.301 17.514 ( 0.578 3.525 0.000) 3.572 17.594 ( 1.084 -0.651 0.000) 1.264 17.852 ( 4.893 -10.640 0.000) 11.711 19.598 ( 1.398 9.939 0.000) 10.037 20.017 ( -0.786 -11.163 0.000) 11.191 28.583 ( -2.044 0.930 0.000) 2.245 28.667 ( -5.535 -2.777 0.000) 6.193 30.083 ( 24.938 -0.302 0.000) 24.940 32.484 ( -3.713 33.403 0.000) 33.609 33.214 ( 5.218 8.935 0.000) 10.347 34.385 ( -3.326 -38.514 0.000) 38.658 34.905 ( 8.079 -0.930 0.000) 8.132 36.441 ( -11.211 1.388 0.000) 11.297 ======================= Grid point 16 (10/215) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 32.961 -15.348 0.000) 36.359 2.863 ( 35.713 -10.152 0.000) 37.128 3.995 ( -8.969 -1.083 0.000) 9.034 4.931 ( 55.073 -14.224 0.000) 56.880 5.012 ( -4.302 1.595 0.000) 4.588 5.633 ( -11.006 7.265 0.000) 13.188 5.716 ( 6.221 7.685 0.000) 9.887 5.965 ( -10.845 -1.706 0.000) 10.978 6.314 ( 20.162 -1.357 0.000) 20.208 6.625 ( 14.687 -0.492 0.000) 14.695 6.731 ( 9.160 -8.224 0.000) 12.309 7.230 ( 10.553 -1.514 0.000) 10.661 8.275 ( -4.040 11.741 0.000) 12.417 8.567 ( -6.665 -0.519 0.000) 6.685 9.413 ( -4.338 15.820 0.000) 16.404 10.293 ( -31.978 17.565 0.000) 36.485 11.168 ( -7.022 -1.666 0.000) 7.217 11.926 ( -18.345 -6.163 0.000) 19.352 13.214 ( -2.565 -2.723 0.000) 3.741 14.110 ( -1.071 2.161 0.000) 2.412 14.182 ( 4.859 5.208 0.000) 7.123 14.402 ( 1.173 -4.868 0.000) 5.007 17.391 ( -2.739 0.809 0.000) 2.856 17.493 ( 1.184 2.999 0.000) 3.224 17.612 ( 0.510 -0.364 0.000) 0.626 18.050 ( 4.479 -11.498 0.000) 12.339 19.507 ( 1.453 10.866 0.000) 10.963 20.138 ( -0.182 -12.484 0.000) 12.485 28.530 ( -2.939 1.544 0.000) 3.320 28.632 ( -3.027 -3.842 0.000) 4.891 30.459 ( 20.540 -0.287 0.000) 20.542 32.124 ( -1.665 26.964 0.000) 27.015 33.256 ( 4.685 0.333 0.000) 4.697 34.649 ( -3.600 -24.311 0.000) 24.577 35.069 ( 10.380 -1.922 0.000) 10.557 36.222 ( -13.204 2.532 0.000) 13.445 ======================= Grid point 17 (11/215) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( 27.803 -9.491 0.000) 29.378 3.480 ( 27.760 -7.334 0.000) 28.713 3.881 ( -5.657 -1.330 0.000) 5.812 4.922 ( -3.531 2.931 0.000) 4.589 5.203 ( -21.861 10.929 0.000) 24.441 5.572 ( -0.721 14.231 0.000) 14.249 5.888 ( 36.734 -16.662 0.000) 40.337 6.055 ( 3.088 -15.562 0.000) 15.865 6.589 ( -0.043 -10.639 0.000) 10.639 6.821 ( 15.009 -1.139 0.000) 15.052 7.078 ( 22.948 -0.821 0.000) 22.963 7.371 ( 7.332 5.335 0.000) 9.068 8.073 ( -5.190 10.217 0.000) 11.460 8.425 ( -8.719 2.160 0.000) 8.983 9.115 ( -12.581 19.548 0.000) 23.246 9.690 ( -24.120 5.176 0.000) 24.669 11.106 ( -4.329 -3.720 0.000) 5.708 11.681 ( -16.036 -1.670 0.000) 16.122 13.219 ( -2.163 -5.417 0.000) 5.833 14.071 ( 1.543 5.570 0.000) 5.780 14.187 ( 0.921 2.775 0.000) 2.924 14.469 ( 2.482 -2.159 0.000) 3.290 17.346 ( -1.062 1.675 0.000) 1.983 17.487 ( 0.821 1.502 0.000) 1.711 17.620 ( 0.220 -0.218 0.000) 0.310 18.223 ( 3.207 -9.236 0.000) 9.777 19.424 ( 1.542 9.277 0.000) 9.405 20.262 ( 0.284 -10.400 0.000) 10.404 28.467 ( -3.319 0.401 0.000) 3.343 28.643 ( 0.042 -2.623 0.000) 2.623 30.728 ( 12.056 -0.258 0.000) 12.059 31.849 ( -3.263 18.310 0.000) 18.598 33.339 ( 4.956 -0.807 0.000) 5.021 34.813 ( -0.787 -14.604 0.000) 14.625 35.277 ( 12.172 -2.870 0.000) 12.506 35.970 ( -14.057 3.334 0.000) 14.447 ======================= Grid point 18 (12/215) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.740 ( 19.762 0.062 0.000) 19.762 3.741 ( 1.667 1.145 0.000) 2.023 3.983 ( 12.047 -3.727 0.000) 12.610 4.797 ( -14.487 4.436 0.000) 15.151 4.865 ( -1.130 1.773 0.000) 2.103 5.374 ( -4.230 10.486 0.000) 11.307 6.317 ( 4.262 -21.430 0.000) 21.850 6.510 ( 19.622 -9.178 0.000) 21.663 6.595 ( -4.356 -2.141 0.000) 4.854 7.014 ( 4.449 -2.488 0.000) 5.098 7.264 ( -6.452 17.798 0.000) 18.931 7.392 ( 6.971 -1.604 0.000) 7.153 7.971 ( 1.431 2.518 0.000) 2.896 8.285 ( -5.312 0.709 0.000) 5.359 8.650 ( -15.522 11.883 0.000) 19.548 9.447 ( -4.540 0.639 0.000) 4.585 11.098 ( -2.318 -4.339 0.000) 4.919 11.478 ( -11.471 -3.356 0.000) 11.951 13.261 ( -0.276 -6.316 0.000) 6.322 14.046 ( 3.915 7.527 0.000) 8.484 14.153 ( -3.018 0.296 0.000) 3.033 14.526 ( 3.376 0.418 0.000) 3.402 17.324 ( 0.709 1.976 0.000) 2.100 17.485 ( 0.121 0.499 0.000) 0.514 17.625 ( 0.226 -0.053 0.000) 0.232 18.340 ( 1.212 -5.951 0.000) 6.073 19.363 ( 1.564 7.145 0.000) 7.314 20.362 ( 0.607 -7.072 0.000) 7.098 28.423 ( -2.086 -0.573 0.000) 2.164 28.685 ( 2.579 -1.124 0.000) 2.813 30.837 ( 0.793 -0.191 0.000) 0.816 31.627 ( -5.572 10.317 0.000) 11.726 33.422 ( 5.453 1.272 0.000) 5.599 34.946 ( 3.012 -7.769 0.000) 8.332 35.513 ( 12.189 -3.261 0.000) 12.618 35.710 ( -12.790 3.359 0.000) 13.224 ======================= Grid point 19 (13/215) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( -1.770 3.353 0.000) 3.792 3.886 ( 7.222 14.882 0.000) 16.542 4.024 ( -2.819 4.946 0.000) 5.693 4.702 ( -0.219 -7.763 0.000) 7.766 4.912 ( 8.082 -0.465 0.000) 8.096 5.274 ( 0.228 1.517 0.000) 1.534 6.420 ( -13.589 5.093 0.000) 14.512 6.606 ( 1.430 -22.051 0.000) 22.098 6.760 ( 1.872 0.107 0.000) 1.875 6.867 ( -15.548 18.836 0.000) 24.424 6.954 ( -22.142 3.619 0.000) 22.436 7.182 ( -14.528 2.977 0.000) 14.830 7.990 ( 2.690 2.582 0.000) 3.728 8.285 ( 3.380 -4.127 0.000) 5.335 8.588 ( 7.653 -3.769 0.000) 8.531 9.503 ( 10.137 -3.502 0.000) 10.725 11.114 ( -1.218 -3.967 0.000) 4.150 11.409 ( -5.260 -9.771 0.000) 11.097 13.339 ( 2.314 -5.086 0.000) 5.588 14.043 ( 6.087 7.923 0.000) 9.991 14.086 ( -6.078 -1.660 0.000) 6.300 14.567 ( 3.518 2.350 0.000) 4.231 17.328 ( 2.098 1.494 0.000) 2.576 17.480 ( -0.031 0.461 0.000) 0.463 17.629 ( 0.100 -0.120 0.000) 0.156 18.385 ( -1.168 -2.445 0.000) 2.709 19.324 ( 1.458 4.857 0.000) 5.071 20.427 ( 0.815 -3.200 0.000) 3.303 28.416 ( 0.088 -1.307 0.000) 1.310 28.746 ( 4.628 0.751 0.000) 4.688 30.753 ( -10.883 0.515 0.000) 10.895 31.451 ( -8.517 1.856 0.000) 8.717 33.479 ( 5.483 4.963 0.000) 7.396 35.082 ( 7.447 -2.316 0.000) 7.799 35.436 ( -12.431 4.040 0.000) 13.071 35.789 ( 13.143 -4.441 0.000) 13.873 ======================= Grid point 20 (14/215) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( -19.025 14.041 0.000) 23.645 3.678 ( -3.509 27.960 0.000) 28.179 4.061 ( 10.102 1.490 0.000) 10.211 4.843 ( 4.919 -9.811 0.000) 10.975 5.124 ( 12.342 -7.478 0.000) 14.431 5.268 ( -8.829 -1.220 0.000) 8.913 6.027 ( -17.756 19.176 0.000) 26.134 6.220 ( -46.664 -1.845 0.000) 46.700 6.395 ( -16.681 16.631 0.000) 23.555 6.670 ( -14.854 1.723 0.000) 14.953 6.819 ( -6.120 -21.236 0.000) 22.101 7.109 ( 3.537 6.875 0.000) 7.732 8.023 ( 4.865 1.516 0.000) 5.095 8.440 ( 7.875 -6.181 0.000) 10.010 8.741 ( 0.704 -9.015 0.000) 9.042 9.829 ( 20.838 -7.853 0.000) 22.269 11.142 ( -0.275 -3.858 0.000) 3.868 11.516 ( 0.499 -17.343 0.000) 17.351 13.430 ( 4.237 -1.516 0.000) 4.500 13.998 ( -7.885 -3.250 0.000) 8.529 14.087 ( 9.151 6.344 0.000) 11.135 14.587 ( 2.966 3.938 0.000) 4.930 17.359 ( 2.882 0.284 0.000) 2.896 17.476 ( 0.612 1.043 0.000) 1.209 17.629 ( -0.147 -0.094 0.000) 0.175 18.356 ( -3.396 0.788 0.000) 3.486 19.307 ( 1.184 2.433 0.000) 2.706 20.454 ( 0.935 0.840 0.000) 1.257 28.454 ( 2.750 -1.576 0.000) 3.170 28.813 ( 5.819 2.852 0.000) 6.480 30.494 ( -19.405 1.249 0.000) 19.445 31.299 ( -14.087 -6.688 0.000) 15.594 33.489 ( 4.750 8.885 0.000) 10.075 35.204 ( -10.916 3.922 0.000) 11.599 35.240 ( 12.475 2.571 0.000) 12.737 36.049 ( 12.682 -4.870 0.000) 13.585 ======================= Grid point 21 (15/215) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( -22.955 21.865 0.000) 31.702 3.224 ( -10.848 35.454 0.000) 37.076 4.219 ( 10.836 2.512 0.000) 11.124 4.645 ( -50.382 21.418 0.000) 54.745 5.031 ( 7.708 -4.452 0.000) 8.901 5.473 ( 14.691 -17.576 0.000) 22.908 5.592 ( -35.769 0.118 0.000) 35.769 5.761 ( -2.187 3.011 0.000) 3.721 5.995 ( -15.557 8.510 0.000) 17.732 6.346 ( -19.564 2.321 0.000) 19.701 6.876 ( -10.484 -16.308 0.000) 19.387 7.082 ( 3.139 9.161 0.000) 9.684 8.105 ( 4.871 -0.877 0.000) 4.949 8.638 ( 8.694 -4.826 0.000) 9.944 8.791 ( -9.193 -13.305 0.000) 16.172 10.276 ( 21.825 -9.808 0.000) 23.927 11.193 ( 1.091 -4.896 0.000) 5.016 11.764 ( 3.232 -22.477 0.000) 22.708 13.495 ( 4.811 3.285 0.000) 5.826 13.908 ( -8.212 -4.635 0.000) 9.430 14.219 ( 14.145 3.722 0.000) 14.626 14.578 ( 1.962 5.445 0.000) 5.787 17.406 ( 1.575 -1.260 0.000) 2.017 17.483 ( 2.296 1.364 0.000) 2.670 17.627 ( 0.364 0.620 0.000) 0.719 18.265 ( -4.829 3.407 0.000) 5.910 19.311 ( 0.764 -0.236 0.000) 0.800 20.440 ( 0.951 4.783 0.000) 4.877 28.537 ( 5.725 -1.071 0.000) 5.824 28.868 ( 5.900 4.695 0.000) 7.540 30.125 ( -23.738 1.672 0.000) 23.796 31.122 ( -22.497 -14.894 0.000) 26.980 33.445 ( 3.376 11.894 0.000) 12.364 35.007 ( -8.520 3.510 0.000) 9.215 35.434 ( 18.201 7.180 0.000) 19.566 36.292 ( 10.839 -4.943 0.000) 11.912 ======================= Grid point 22 (16/215) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -23.012 29.737 0.000) 37.602 2.577 ( -23.300 36.495 0.000) 43.298 3.501 ( -48.445 37.695 0.000) 61.383 4.346 ( 8.517 2.926 0.000) 9.005 5.045 ( -31.677 -1.024 0.000) 31.694 5.163 ( 6.128 0.514 0.000) 6.149 5.591 ( -18.640 1.186 0.000) 18.677 5.669 ( -8.476 5.359 0.000) 10.028 5.994 ( 12.502 -25.704 0.000) 28.583 6.128 ( -2.475 3.575 0.000) 4.348 6.863 ( -9.887 -14.496 0.000) 17.547 7.020 ( 1.550 9.242 0.000) 9.371 8.172 ( 1.358 -1.404 0.000) 1.953 8.708 ( -22.860 -18.473 0.000) 29.392 8.798 ( 6.959 -0.780 0.000) 7.003 10.706 ( 17.373 -10.392 0.000) 20.243 11.283 ( 2.441 -6.632 0.000) 7.067 12.064 ( 2.683 -24.302 0.000) 24.450 13.517 ( 4.498 6.742 0.000) 8.105 13.839 ( -6.861 -5.799 0.000) 8.984 14.465 ( 20.429 2.619 0.000) 20.596 14.535 ( 0.858 6.816 0.000) 6.869 17.416 ( -2.257 -2.077 0.000) 3.068 17.529 ( 3.846 0.489 0.000) 3.877 17.634 ( 2.355 1.973 0.000) 3.072 18.142 ( -4.285 5.024 0.000) 6.603 19.337 ( 0.322 -3.238 0.000) 3.254 20.384 ( 0.805 8.348 0.000) 8.386 28.661 ( 9.373 0.323 0.000) 9.379 28.901 ( 4.933 5.813 0.000) 7.624 29.718 ( -23.550 2.002 0.000) 23.635 30.867 ( -34.336 -22.189 0.000) 40.882 33.353 ( 1.776 13.162 0.000) 13.282 34.858 ( -5.761 2.934 0.000) 6.465 35.683 ( 24.900 10.927 0.000) 27.192 36.496 ( 7.957 -4.653 0.000) 9.218 ======================= Grid point 23 (17/215) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -18.339 37.813 0.000) 42.026 1.682 ( -43.183 30.011 0.000) 52.587 2.398 ( -22.599 60.065 0.000) 64.175 4.428 ( 5.034 2.646 0.000) 5.687 4.622 ( -23.037 -3.050 0.000) 23.238 5.219 ( 3.278 3.218 0.000) 4.593 5.262 ( -16.512 1.613 0.000) 16.590 5.513 ( -5.958 0.087 0.000) 5.959 6.089 ( 1.839 6.195 0.000) 6.463 6.424 ( 7.415 -18.164 0.000) 19.619 6.928 ( -1.946 -19.895 0.000) 19.989 6.951 ( 0.826 7.074 0.000) 7.122 8.171 ( -1.993 0.545 0.000) 2.067 8.405 ( -40.535 -19.011 0.000) 44.772 8.871 ( 3.670 3.100 0.000) 4.804 11.018 ( 8.071 -8.466 0.000) 11.697 11.399 ( 2.350 -7.243 0.000) 7.615 12.350 ( 1.255 -23.834 0.000) 23.867 13.500 ( 3.292 8.381 0.000) 9.004 13.816 ( -3.901 -6.526 0.000) 7.603 14.465 ( 0.093 7.631 0.000) 7.631 14.808 ( 24.173 1.810 0.000) 24.241 17.394 ( -3.550 -3.380 0.000) 4.902 17.567 ( 1.885 1.597 0.000) 2.471 17.660 ( 2.857 2.202 0.000) 3.607 18.055 ( 1.070 4.312 0.000) 4.442 19.391 ( 0.023 -6.382 0.000) 6.382 20.292 ( 0.469 11.116 0.000) 11.126 28.840 ( 14.967 2.184 0.000) 15.125 28.904 ( 3.255 5.995 0.000) 6.822 29.356 ( -17.633 2.143 0.000) 17.762 30.437 ( -50.336 -22.859 0.000) 55.284 33.235 ( 0.507 12.190 0.000) 12.201 34.761 ( -2.873 2.275 0.000) 3.665 36.020 ( 30.844 9.830 0.000) 32.373 36.640 ( 4.236 -3.958 0.000) 5.797 ======================= Grid point 24 (18/215) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 37.468 0.000) 37.468 0.960 ( 0.000 44.688 0.000) 44.688 1.518 ( 0.000 71.038 0.000) 71.038 4.401 ( 0.000 0.387 0.000) 0.387 4.445 ( 0.000 2.010 0.000) 2.010 5.103 ( 0.000 1.290 0.000) 1.290 5.208 ( 0.000 3.054 0.000) 3.054 5.477 ( -0.000 -1.244 0.000) 1.244 6.040 ( 0.000 6.192 0.000) 6.192 6.600 ( -0.000 -9.500 0.000) 9.500 6.896 ( 0.000 4.621 0.000) 4.621 7.178 ( -0.000 -21.468 0.000) 21.468 7.954 ( 0.000 2.090 0.000) 2.090 8.122 ( 0.000 2.671 0.000) 2.671 8.859 ( 0.000 4.358 0.000) 4.358 11.136 ( -0.000 -4.003 0.000) 4.003 11.491 ( -0.000 -5.588 0.000) 5.588 12.602 ( -0.000 -21.389 0.000) 21.389 13.438 ( 0.000 9.231 0.000) 9.231 13.853 ( -0.000 -6.335 0.000) 6.335 14.386 ( 0.000 7.197 0.000) 7.197 15.097 ( -0.000 -4.509 0.000) 4.509 17.396 ( -0.000 -3.514 0.000) 3.514 17.559 ( 0.000 2.407 0.000) 2.407 17.658 ( 0.000 2.052 0.000) 2.052 18.092 ( -0.000 -1.322 0.000) 1.322 19.472 ( -0.000 -8.885 0.000) 8.885 20.170 ( 0.000 12.371 0.000) 12.371 28.872 ( 0.000 5.067 0.000) 5.067 29.083 ( -0.000 -2.301 0.000) 2.301 29.159 ( 0.000 1.916 0.000) 1.916 29.861 ( 0.000 2.237 0.000) 2.237 33.124 ( 0.000 8.989 0.000) 8.989 34.718 ( 0.000 1.577 0.000) 1.577 36.360 ( -0.000 -3.585 0.000) 3.585 36.711 ( -0.000 -2.866 0.000) 2.866 ======================= Grid point 27 (19/215) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 40.803 -0.000 0.000) 40.803 2.751 ( 38.933 -0.000 0.000) 38.933 3.983 ( -8.579 0.000 0.000) 8.579 4.767 ( 56.142 -0.000 0.000) 56.142 5.030 ( -3.631 0.000 0.000) 3.631 5.689 ( 2.173 -0.000 0.000) 2.173 5.840 ( 18.463 -0.000 0.000) 18.463 5.977 ( -30.655 0.000 0.000) 30.655 6.261 ( -1.730 0.000 0.000) 1.730 6.622 ( 9.403 -0.000 0.000) 9.403 6.641 ( 25.811 -0.000 0.000) 25.811 7.199 ( 12.749 -0.000 0.000) 12.749 8.446 ( -8.192 0.000 0.000) 8.192 8.527 ( -0.986 0.000 0.000) 0.986 9.582 ( -6.886 0.000 0.000) 6.886 10.576 ( -41.919 0.000 0.000) 41.919 11.146 ( -8.770 0.000 0.000) 8.770 11.766 ( -14.613 0.000 0.000) 14.613 13.207 ( -2.861 0.000 0.000) 2.861 14.131 ( 1.295 -0.000 0.000) 1.295 14.289 ( -1.780 0.000 0.000) 1.780 14.299 ( 8.008 -0.000 0.000) 8.008 17.403 ( -2.127 0.000 0.000) 2.127 17.531 ( -0.810 0.000 0.000) 0.810 17.628 ( 2.153 -0.000 0.000) 2.153 17.887 ( 6.536 -0.000 0.000) 6.536 19.701 ( 2.825 -0.000 0.000) 2.825 19.927 ( -0.997 0.000 0.000) 0.997 28.552 ( -6.139 0.000 0.000) 6.139 28.584 ( 0.661 -0.000 0.000) 0.661 30.456 ( 20.743 -0.000 0.000) 20.743 32.467 ( -13.131 0.000 0.000) 13.131 33.319 ( 1.670 -0.000 0.000) 1.670 34.282 ( 9.932 -0.000 0.000) 9.932 35.048 ( 10.302 -0.000 0.000) 10.302 36.249 ( -13.304 0.000 0.000) 13.304 ======================= Grid point 28 (20/215) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 38.429 -2.748 0.000) 38.527 3.362 ( 33.727 -3.165 0.000) 33.875 3.865 ( -6.065 -0.335 0.000) 6.074 4.968 ( -3.112 1.247 0.000) 3.353 5.422 ( -27.701 8.695 0.000) 29.033 5.610 ( 42.417 -7.694 0.000) 43.109 5.778 ( -0.665 -9.911 0.000) 9.933 5.918 ( 0.868 17.877 0.000) 17.898 6.292 ( 1.100 -16.793 0.000) 16.829 6.810 ( 10.882 -0.168 0.000) 10.884 7.072 ( 25.007 -0.040 0.000) 25.007 7.404 ( 11.510 -0.162 0.000) 11.511 8.278 ( -7.773 6.374 0.000) 10.052 8.454 ( -8.154 0.600 0.000) 8.176 9.448 ( -6.235 8.526 0.000) 10.563 9.824 ( -41.514 6.562 0.000) 42.030 11.032 ( -6.349 -2.353 0.000) 6.771 11.561 ( -16.516 -6.448 0.000) 17.730 13.163 ( -2.276 -0.500 0.000) 2.330 14.159 ( 3.455 2.265 0.000) 4.132 14.236 ( -2.936 1.537 0.000) 3.314 14.431 ( 6.554 -1.202 0.000) 6.663 17.379 ( -0.144 1.141 0.000) 1.150 17.512 ( -1.055 0.263 0.000) 1.087 17.642 ( 1.379 2.192 0.000) 2.589 18.033 ( 5.764 -6.860 0.000) 8.961 19.663 ( 2.631 12.225 0.000) 12.505 20.006 ( 0.317 -12.604 0.000) 12.608 28.463 ( -4.938 -0.430 0.000) 4.957 28.611 ( 2.093 -0.568 0.000) 2.169 30.726 ( 12.194 -0.012 0.000) 12.194 32.187 ( -12.760 10.377 0.000) 16.447 33.363 ( 6.399 2.348 0.000) 6.816 34.505 ( 7.856 -11.022 0.000) 13.535 35.235 ( 12.075 -1.045 0.000) 12.120 36.019 ( -14.292 1.231 0.000) 14.345 ======================= Grid point 29 (21/215) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 370 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.757 ( 32.607 1.474 0.000) 32.640 3.771 ( 3.127 1.608 0.000) 3.516 3.897 ( 18.926 -3.943 0.000) 19.332 4.881 ( -18.390 2.039 0.000) 18.503 4.940 ( -7.458 5.823 0.000) 9.462 5.653 ( -7.767 14.652 0.000) 16.583 5.921 ( 1.740 -15.168 0.000) 15.267 6.267 ( 20.040 -12.192 0.000) 23.457 6.514 ( 12.067 -5.488 0.000) 13.256 6.956 ( 5.354 -2.393 0.000) 5.864 7.367 ( 7.535 -0.718 0.000) 7.569 7.516 ( 2.864 6.089 0.000) 6.729 8.080 ( -5.431 7.205 0.000) 9.022 8.294 ( -9.483 -0.068 0.000) 9.484 8.957 ( -29.102 15.036 0.000) 32.757 9.452 ( -6.164 -0.468 0.000) 6.181 10.993 ( -3.411 -4.699 0.000) 5.806 11.364 ( -15.953 -6.653 0.000) 17.284 13.158 ( -0.328 -2.877 0.000) 2.896 14.160 ( -5.295 0.314 0.000) 5.304 14.192 ( 5.630 5.407 0.000) 7.806 14.535 ( 5.840 0.369 0.000) 5.852 17.373 ( 1.604 2.357 0.000) 2.851 17.495 ( -0.670 0.149 0.000) 0.686 17.635 ( 0.267 1.365 0.000) 1.391 18.186 ( 3.346 -7.531 0.000) 8.241 19.572 ( 2.516 12.286 0.000) 12.541 20.154 ( 1.159 -12.206 0.000) 12.261 28.407 ( -2.787 -0.827 0.000) 2.907 28.664 ( 3.716 -0.697 0.000) 3.781 30.835 ( 1.066 -0.022 0.000) 1.066 31.869 ( -12.638 10.583 0.000) 16.484 33.470 ( 9.955 3.151 0.000) 10.442 34.740 ( 7.482 -10.214 0.000) 12.662 35.455 ( 13.047 -2.021 0.000) 13.203 35.771 ( -14.088 2.119 0.000) 14.246 ======================= Grid point 30 (22/215) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.789 ( 3.423 1.842 0.000) 3.887 4.112 ( 1.023 3.022 0.000) 3.190 4.157 ( 23.426 10.437 0.000) 25.646 4.563 ( -11.223 -4.909 0.000) 12.250 4.942 ( 6.640 2.855 0.000) 7.228 5.396 ( -7.335 9.209 0.000) 11.773 6.140 ( 1.686 -19.922 0.000) 19.993 6.438 ( -4.353 -3.656 0.000) 5.685 6.765 ( 6.452 1.219 0.000) 6.567 6.993 ( -10.589 -0.237 0.000) 10.592 7.221 ( -16.104 0.672 0.000) 16.118 7.277 ( -14.494 18.069 0.000) 23.164 8.037 ( 3.594 1.557 0.000) 3.917 8.195 ( -4.345 -4.347 0.000) 6.146 8.589 ( -2.884 3.220 0.000) 4.323 9.449 ( 5.066 -1.673 0.000) 5.335 11.008 ( -1.737 -5.408 0.000) 5.681 11.211 ( -12.198 -8.663 0.000) 14.961 13.217 ( 2.279 -5.188 0.000) 5.666 14.060 ( -7.440 -0.852 0.000) 7.489 14.227 ( 7.649 8.147 0.000) 11.175 14.612 ( 5.131 1.779 0.000) 5.431 17.378 ( 2.396 2.988 0.000) 3.829 17.489 ( 0.202 0.335 0.000) 0.391 17.625 ( -0.626 -0.123 0.000) 0.638 18.287 ( 0.150 -6.036 0.000) 6.038 19.491 ( 2.483 10.680 0.000) 10.965 20.290 ( 1.436 -9.523 0.000) 9.631 28.393 ( 0.136 -0.828 0.000) 0.839 28.745 ( 5.352 -0.609 0.000) 5.387 30.760 ( -10.096 0.219 0.000) 10.098 31.562 ( -13.958 7.090 0.000) 15.656 33.598 ( 11.476 6.228 0.000) 13.057 34.967 ( 9.252 -7.666 0.000) 12.016 35.513 ( -12.429 3.107 0.000) 12.812 35.706 ( 12.633 -3.321 0.000) 13.062 ======================= Grid point 31 (23/215) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 370 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.708 ( -11.193 9.603 0.000) 14.748 4.077 ( 7.084 -0.370 0.000) 7.094 4.241 ( 9.017 24.496 0.000) 26.103 4.594 ( 0.109 -11.309 0.000) 11.309 5.067 ( 10.046 0.520 0.000) 10.059 5.252 ( -5.403 0.379 0.000) 5.416 6.178 ( -41.818 -0.646 0.000) 41.823 6.356 ( -3.227 -21.193 0.000) 21.437 6.400 ( -18.676 13.308 0.000) 22.933 6.713 ( -14.578 2.315 0.000) 14.761 6.786 ( -19.032 20.002 0.000) 27.610 7.226 ( 7.080 4.212 0.000) 8.238 8.069 ( 3.338 2.170 0.000) 3.982 8.275 ( 3.697 -9.662 0.000) 10.345 8.612 ( -0.068 -3.994 0.000) 3.994 9.677 ( 17.436 -6.367 0.000) 18.562 11.041 ( -1.187 -5.174 0.000) 5.308 11.177 ( -6.618 -14.131 0.000) 15.604 13.332 ( 4.288 -6.044 0.000) 7.411 13.943 ( -8.789 -1.996 0.000) 9.013 14.272 ( 9.990 9.661 0.000) 13.897 14.662 ( 4.283 3.110 0.000) 5.294 17.386 ( 2.055 2.230 0.000) 3.033 17.492 ( 0.639 0.482 0.000) 0.800 17.622 ( -0.034 -0.635 0.000) 0.636 18.316 ( -3.180 -3.981 0.000) 5.095 19.428 ( 2.272 8.717 0.000) 9.008 20.396 ( 1.434 -6.136 0.000) 6.302 28.430 ( 3.497 -0.669 0.000) 3.560 28.844 ( 6.447 0.224 0.000) 6.451 30.518 ( -18.617 0.967 0.000) 18.642 31.266 ( -16.980 2.236 0.000) 17.127 33.694 ( 10.851 10.330 0.000) 14.982 35.206 ( 12.106 -5.076 0.000) 13.127 35.283 ( -11.275 3.462 0.000) 11.795 35.952 ( 12.500 -4.145 0.000) 13.169 ======================= Grid point 32 (24/215) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.333 ( -16.064 16.318 0.000) 22.898 3.942 ( -8.989 32.120 0.000) 33.354 4.262 ( 12.306 1.184 0.000) 12.363 4.798 ( 7.508 -16.935 0.000) 18.525 4.994 ( -29.284 11.321 0.000) 31.396 5.230 ( 7.901 -4.212 0.000) 8.954 5.470 ( -35.482 -7.017 0.000) 36.169 6.054 ( -8.246 18.724 0.000) 20.459 6.255 ( -19.451 13.021 0.000) 23.407 6.403 ( -17.146 3.016 0.000) 17.410 6.496 ( -8.329 -15.650 0.000) 17.728 7.252 ( 3.651 7.187 0.000) 8.061 8.117 ( 4.421 1.090 0.000) 4.554 8.474 ( 7.010 -10.873 0.000) 12.937 8.607 ( -7.124 -5.458 0.000) 8.974 10.085 ( 21.605 -8.515 0.000) 23.222 11.079 ( -0.892 -5.390 0.000) 5.463 11.296 ( -1.779 -20.749 0.000) 20.825 13.466 ( 4.724 -4.789 0.000) 6.727 13.826 ( -8.869 -3.148 0.000) 9.411 14.360 ( 13.482 8.823 0.000) 16.112 14.683 ( 3.204 4.469 0.000) 5.499 17.391 ( -0.714 -0.288 0.000) 0.770 17.502 ( 1.716 0.554 0.000) 1.803 17.640 ( 2.135 0.495 0.000) 2.192 18.272 ( -5.954 -2.090 0.000) 6.311 19.380 ( 1.806 6.549 0.000) 6.793 20.464 ( 1.273 -2.459 0.000) 2.769 28.520 ( 6.980 -0.385 0.000) 6.991 28.939 ( 6.560 1.891 0.000) 6.827 30.163 ( -22.871 1.808 0.000) 22.942 30.959 ( -21.501 -2.211 0.000) 21.615 33.722 ( 8.566 14.135 0.000) 16.528 35.083 ( -8.863 3.546 0.000) 9.546 35.467 ( 15.042 -3.029 0.000) 15.344 36.187 ( 10.662 -4.775 0.000) 11.683 ======================= Grid point 33 (25/215) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 370 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( -14.714 24.991 0.000) 29.000 3.251 ( -37.148 27.822 0.000) 46.412 4.294 ( -19.314 33.975 0.000) 39.081 4.407 ( 8.467 2.586 0.000) 8.853 5.026 ( -29.584 -0.593 0.000) 29.590 5.120 ( 11.327 -7.586 0.000) 13.632 5.467 ( 8.294 -20.587 0.000) 22.195 5.690 ( -19.235 8.843 0.000) 21.171 5.846 ( -13.546 11.475 0.000) 17.753 6.230 ( 1.821 5.892 0.000) 6.167 6.500 ( -13.174 -17.796 0.000) 22.142 7.201 ( 0.144 7.809 0.000) 7.810 8.171 ( 2.949 0.554 0.000) 3.001 8.487 ( -14.609 -4.679 0.000) 15.340 8.703 ( 7.616 -8.695 0.000) 11.559 10.507 ( 18.536 -8.818 0.000) 20.527 11.133 ( -0.244 -6.909 0.000) 6.913 11.532 ( 0.267 -25.042 0.000) 25.044 13.569 ( 3.637 -1.543 0.000) 3.951 13.732 ( -7.333 -4.298 0.000) 8.500 14.535 ( 17.422 4.968 0.000) 18.116 14.670 ( 1.948 5.857 0.000) 6.173 17.361 ( -4.995 -3.062 0.000) 5.859 17.545 ( 4.336 0.992 0.000) 4.448 17.676 ( 3.506 1.745 0.000) 3.916 18.177 ( -7.309 -0.853 0.000) 7.358 19.348 ( 1.134 4.057 0.000) 4.212 20.488 ( 0.979 1.324 0.000) 1.647 28.662 ( 10.373 -0.036 0.000) 10.373 29.008 ( 5.721 3.989 0.000) 6.974 29.768 ( -22.449 2.622 0.000) 22.602 30.613 ( -26.066 -4.661 0.000) 26.479 33.672 ( 5.401 16.703 0.000) 17.554 34.926 ( -6.019 3.410 0.000) 6.918 35.752 ( 16.832 -2.347 0.000) 16.995 36.390 ( 7.805 -5.147 0.000) 9.349 ======================= Grid point 34 (26/215) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -42.363 26.583 0.000) 50.013 2.348 ( -10.358 33.952 0.000) 35.497 3.653 ( -3.825 56.304 0.000) 56.433 4.487 ( 4.909 2.702 0.000) 5.604 4.594 ( -21.266 0.038 0.000) 21.266 5.282 ( 6.893 1.359 0.000) 7.026 5.320 ( -15.876 4.164 0.000) 16.413 5.538 ( -11.077 2.560 0.000) 11.369 5.965 ( 16.036 -23.966 0.000) 28.836 6.240 ( 5.499 7.432 0.000) 9.245 6.471 ( -14.489 -20.915 0.000) 25.443 7.109 ( -1.135 7.380 0.000) 7.467 8.194 ( 0.859 1.110 0.000) 1.404 8.243 ( -18.045 -0.564 0.000) 18.053 8.873 ( 4.602 -3.835 0.000) 5.990 10.841 ( 10.724 -8.666 0.000) 13.788 11.220 ( 0.464 -9.014 0.000) 9.026 11.809 ( 0.196 -26.404 0.000) 26.405 13.612 ( 2.003 1.996 0.000) 2.828 13.689 ( -4.166 -5.375 0.000) 6.801 14.623 ( 0.760 7.096 0.000) 7.136 14.796 ( 16.356 -0.605 0.000) 16.367 17.310 ( -5.469 -4.458 0.000) 7.055 17.603 ( 3.976 1.801 0.000) 4.365 17.709 ( 2.877 2.185 0.000) 3.613 18.077 ( -5.402 -1.029 0.000) 5.500 19.333 ( 0.447 1.026 0.000) 1.120 20.467 ( 0.536 5.055 0.000) 5.084 28.853 ( 12.718 -0.411 0.000) 12.725 29.037 ( 4.311 6.002 0.000) 7.390 29.413 ( -16.742 3.263 0.000) 17.057 30.221 ( -26.501 -2.498 0.000) 26.618 33.551 ( 2.238 17.382 0.000) 17.526 34.819 ( -3.001 3.125 0.000) 4.332 36.046 ( 14.610 -4.190 0.000) 15.199 36.542 ( 4.149 -5.176 0.000) 6.634 ======================= Grid point 35 (27/215) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 0.000 32.587 0.000) 32.587 1.859 ( 0.000 40.146 0.000) 40.146 2.967 ( 0.000 65.988 0.000) 65.988 4.409 ( 0.000 0.234 0.000) 0.234 4.499 ( 0.000 2.864 0.000) 2.864 5.146 ( 0.000 2.947 0.000) 2.947 5.312 ( 0.000 7.010 0.000) 7.010 5.431 ( -0.000 -3.326 0.000) 3.326 6.204 ( 0.000 8.593 0.000) 8.593 6.348 ( -0.000 -13.376 0.000) 13.376 6.592 ( -0.000 -32.473 0.000) 32.473 7.022 ( 0.000 6.847 0.000) 6.847 8.024 ( 0.000 4.630 0.000) 4.630 8.180 ( 0.000 2.328 0.000) 2.328 8.925 ( 0.000 0.716 0.000) 0.716 11.014 ( -0.000 -7.377 0.000) 7.377 11.326 ( -0.000 -9.519 0.000) 9.519 12.089 ( -0.000 -26.212 0.000) 26.212 13.593 ( 0.000 4.883 0.000) 4.883 13.716 ( -0.000 -6.211 0.000) 6.211 14.549 ( 0.000 7.818 0.000) 7.818 14.988 ( -0.000 -5.019 0.000) 5.019 17.308 ( -0.000 -4.668 0.000) 4.668 17.613 ( 0.000 2.662 0.000) 2.662 17.709 ( 0.000 2.476 0.000) 2.476 18.053 ( -0.000 -2.285 0.000) 2.285 19.344 ( -0.000 -2.585 0.000) 2.585 20.400 ( 0.000 8.463 0.000) 8.463 29.006 ( 0.000 5.941 0.000) 5.941 29.025 ( -0.000 -1.773 0.000) 1.773 29.215 ( 0.000 3.287 0.000) 3.287 29.927 ( 0.000 3.934 0.000) 3.934 33.391 ( 0.000 15.825 0.000) 15.825 34.764 ( 0.000 2.743 0.000) 2.743 36.251 ( -0.000 -6.742 0.000) 6.742 36.628 ( -0.000 -4.786 0.000) 4.786 ======================= Grid point 40 (28/215) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.779 ( 36.962 -0.000 0.000) 36.962 3.799 ( -1.599 0.000 0.000) 1.599 3.842 ( 26.435 -0.000 0.000) 26.435 4.901 ( -15.063 0.000 0.000) 15.063 5.023 ( -15.292 0.000 0.000) 15.292 5.742 ( 1.730 -0.000 0.000) 1.730 5.882 ( -15.077 0.000 0.000) 15.077 6.080 ( 19.372 -0.000 0.000) 19.372 6.430 ( 26.467 -0.000 0.000) 26.467 6.930 ( 4.321 -0.000 0.000) 4.321 7.360 ( 7.218 -0.000 0.000) 7.218 7.569 ( 7.887 -0.000 0.000) 7.887 8.184 ( -7.183 0.000 0.000) 7.183 8.284 ( -13.427 0.000 0.000) 13.427 9.153 ( -39.815 0.000 0.000) 39.815 9.434 ( -2.545 0.000 0.000) 2.545 10.937 ( -3.538 0.000 0.000) 3.538 11.275 ( -15.066 0.000 0.000) 15.066 13.132 ( -0.966 0.000 0.000) 0.966 14.164 ( -6.161 0.000 0.000) 6.161 14.251 ( 6.188 -0.000 0.000) 6.188 14.539 ( 6.752 -0.000 0.000) 6.752 17.404 ( 2.255 -0.000 0.000) 2.255 17.491 ( -1.169 0.000 0.000) 1.169 17.663 ( -0.639 0.000 0.000) 0.639 18.089 ( 5.182 -0.000 0.000) 5.182 19.821 ( 4.532 -0.000 0.000) 4.532 19.906 ( -0.336 0.000 0.000) 0.336 28.396 ( -2.677 0.000 0.000) 2.677 28.657 ( 3.787 -0.000 0.000) 3.787 30.835 ( 1.105 -0.000 0.000) 1.105 31.993 ( -16.630 0.000 0.000) 16.630 33.517 ( 11.356 -0.000 0.000) 11.356 34.610 ( 10.643 -0.000 0.000) 10.643 35.433 ( 13.134 -0.000 0.000) 13.134 35.794 ( -14.336 0.000 0.000) 14.336 ======================= Grid point 41 (29/215) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.816 ( 4.310 0.668 0.000) 4.361 4.149 ( 7.846 0.655 0.000) 7.873 4.313 ( 30.936 4.034 0.000) 31.198 4.500 ( -21.603 -1.287 0.000) 21.641 5.009 ( 6.082 2.563 0.000) 6.600 5.593 ( -14.224 7.137 0.000) 15.914 5.823 ( 2.209 -8.780 0.000) 9.054 6.310 ( 4.776 -5.777 0.000) 7.496 6.815 ( 12.533 2.745 0.000) 12.830 6.953 ( -3.503 -2.615 0.000) 4.372 7.224 ( -18.403 -0.077 0.000) 18.403 7.577 ( -5.326 8.796 0.000) 10.283 8.047 ( -7.673 -0.642 0.000) 7.700 8.116 ( -6.115 -2.252 0.000) 6.517 8.673 ( -14.394 3.118 0.000) 14.728 9.428 ( 2.627 -0.425 0.000) 2.661 10.918 ( -0.908 -2.531 0.000) 2.689 11.068 ( -13.230 -4.059 0.000) 13.839 13.144 ( 1.724 -1.644 0.000) 2.382 14.049 ( -8.141 -0.247 0.000) 8.145 14.351 ( 8.176 3.183 0.000) 8.774 14.638 ( 5.908 0.658 0.000) 5.944 17.439 ( 3.108 2.396 0.000) 3.924 17.486 ( 0.411 -0.722 0.000) 0.830 17.629 ( -2.724 0.411 0.000) 2.755 18.173 ( 2.148 -3.609 0.000) 4.200 19.754 ( 2.655 13.714 0.000) 13.969 20.044 ( 2.091 -13.309 0.000) 13.473 28.382 ( 0.696 -0.284 0.000) 0.752 28.732 ( 5.293 -0.396 0.000) 5.308 30.763 ( -9.719 0.085 0.000) 9.720 31.686 ( -18.478 3.539 0.000) 18.813 33.717 ( 15.396 3.933 0.000) 15.890 34.815 ( 11.027 -5.039 0.000) 12.124 35.562 ( -12.982 1.340 0.000) 13.051 35.655 ( 12.903 -1.401 0.000) 12.979 ======================= Grid point 42 (30/215) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.861 ( -5.637 5.266 0.000) 7.713 4.033 ( -2.926 -3.564 0.000) 4.611 4.427 ( 0.543 -4.296 0.000) 4.330 4.655 ( 20.960 13.494 0.000) 24.928 5.108 ( 8.622 2.715 0.000) 9.040 5.302 ( -13.169 4.405 0.000) 13.886 5.974 ( 0.476 -14.002 0.000) 14.010 6.149 ( -42.401 -2.238 0.000) 42.460 6.594 ( -9.534 5.221 0.000) 10.870 6.759 ( -14.820 1.817 0.000) 14.931 7.213 ( -17.062 19.753 0.000) 26.102 7.289 ( 12.538 1.919 0.000) 12.684 8.028 ( -5.364 -12.974 0.000) 14.039 8.107 ( 3.288 0.688 0.000) 3.359 8.556 ( -3.145 -1.487 0.000) 3.479 9.572 ( 13.643 -3.351 0.000) 14.049 10.942 ( -9.792 -7.819 0.000) 12.530 10.947 ( 0.178 -3.414 0.000) 3.419 13.223 ( 4.275 -3.784 0.000) 5.709 13.913 ( -9.332 -0.914 0.000) 9.377 14.447 ( 9.901 6.186 0.000) 11.674 14.714 ( 5.009 1.719 0.000) 5.296 17.447 ( 1.133 3.187 0.000) 3.382 17.499 ( 0.032 0.224 0.000) 0.226 17.600 ( -0.220 -1.462 0.000) 1.478 18.220 ( -1.747 -4.272 0.000) 4.616 19.656 ( 2.464 12.513 0.000) 12.753 20.209 ( 2.154 -11.183 0.000) 11.388 28.424 ( 4.411 0.012 0.000) 4.411 28.835 ( 6.573 -0.736 0.000) 6.614 30.534 ( -17.873 0.522 0.000) 17.881 31.337 ( -20.197 3.353 0.000) 20.474 33.906 ( 15.907 9.041 0.000) 18.296 35.064 ( 11.906 -7.107 0.000) 13.865 35.343 ( -11.603 2.044 0.000) 11.781 35.882 ( 12.462 -2.381 0.000) 12.688 ======================= Grid point 43 (31/215) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.575 ( -15.141 6.108 0.000) 16.326 4.239 ( 15.292 -3.962 0.000) 15.797 4.496 ( 1.268 -8.321 0.000) 8.417 4.552 ( -13.340 25.304 0.000) 28.605 5.135 ( -6.088 2.611 0.000) 6.624 5.203 ( 4.719 0.212 0.000) 4.724 5.349 ( -45.382 -4.380 0.000) 45.593 6.090 ( -5.416 -14.083 0.000) 15.089 6.396 ( -16.814 9.477 0.000) 19.301 6.488 ( -5.368 7.388 0.000) 9.132 6.705 ( -17.200 21.372 0.000) 27.434 7.389 ( 4.901 5.718 0.000) 7.532 8.114 ( 2.060 -5.541 0.000) 5.912 8.197 ( 2.326 -11.236 0.000) 11.474 8.523 ( -4.949 -3.003 0.000) 5.789 9.919 ( 21.011 -6.937 0.000) 22.127 10.930 ( -5.433 -13.454 0.000) 14.509 10.985 ( 0.093 -3.288 0.000) 3.289 13.350 ( 5.247 -5.219 0.000) 7.401 13.775 ( -9.284 -1.742 0.000) 9.446 14.545 ( 11.859 7.926 0.000) 14.264 14.762 ( 3.949 2.943 0.000) 4.925 17.389 ( -5.355 0.098 0.000) 5.356 17.515 ( 2.913 0.779 0.000) 3.015 17.643 ( 3.432 -0.286 0.000) 3.444 18.205 ( -5.259 -3.689 0.000) 6.424 19.570 ( 2.175 11.014 0.000) 11.226 20.345 ( 1.760 -8.466 0.000) 8.647 28.522 ( 7.959 0.481 0.000) 7.974 28.952 ( 7.082 -0.357 0.000) 7.091 30.197 ( -21.928 1.370 0.000) 21.971 30.969 ( -21.954 2.005 0.000) 22.046 34.023 ( 13.312 13.908 0.000) 19.252 35.150 ( -9.183 2.625 0.000) 9.551 35.344 ( 12.867 -7.779 0.000) 15.035 36.100 ( 10.584 -3.396 0.000) 11.116 ======================= Grid point 44 (32/215) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( -10.801 12.424 0.000) 16.463 3.750 ( -48.859 19.493 0.000) 52.604 4.448 ( 7.738 1.270 0.000) 7.842 4.764 ( 13.885 -19.872 0.000) 24.243 4.771 ( -17.311 8.210 0.000) 19.159 5.083 ( -5.511 8.676 0.000) 10.278 5.254 ( -0.667 -4.143 0.000) 4.196 5.943 ( -22.774 12.842 0.000) 26.145 6.066 ( -10.158 -2.081 0.000) 10.369 6.274 ( -13.246 8.753 0.000) 15.877 6.383 ( 3.384 9.453 0.000) 10.041 7.349 ( -1.213 6.222 0.000) 6.339 8.177 ( 2.390 -0.295 0.000) 2.408 8.422 ( 4.888 -17.789 0.000) 18.449 8.443 ( -7.480 -0.465 0.000) 7.495 10.333 ( 19.060 -7.740 0.000) 20.572 11.019 ( -0.295 -3.624 0.000) 3.636 11.050 ( -1.772 -19.870 0.000) 19.949 13.486 ( 4.325 -5.255 0.000) 6.806 13.659 ( -7.634 -2.656 0.000) 8.083 14.670 ( 13.688 7.168 0.000) 15.452 14.777 ( 2.661 4.253 0.000) 5.017 17.295 ( -7.848 -2.969 0.000) 8.391 17.570 ( 5.075 1.322 0.000) 5.244 17.701 ( 3.767 0.640 0.000) 3.821 18.134 ( -7.480 -2.780 0.000) 7.980 19.493 ( 1.598 9.325 0.000) 9.461 20.442 ( 1.219 -5.422 0.000) 5.557 28.668 ( 10.697 0.624 0.000) 10.716 29.061 ( 6.666 1.087 0.000) 6.754 29.823 ( -21.276 2.440 0.000) 21.415 30.591 ( -22.549 1.286 0.000) 22.586 34.037 ( 8.945 17.553 0.000) 19.700 34.995 ( -6.285 2.976 0.000) 6.954 35.634 ( 12.478 -8.126 0.000) 14.891 36.289 ( 7.716 -4.264 0.000) 8.815 ======================= Grid point 45 (33/215) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -40.796 20.465 0.000) 45.641 2.953 ( -6.305 22.201 0.000) 23.079 4.483 ( -8.074 7.305 0.000) 10.888 4.528 ( 4.150 0.936 0.000) 4.254 4.808 ( -2.893 32.635 0.000) 32.763 5.216 ( 10.964 -11.410 0.000) 15.824 5.317 ( 1.454 -19.144 0.000) 19.199 5.458 ( -18.764 10.115 0.000) 21.316 5.835 ( -4.497 13.076 0.000) 13.828 6.116 ( -13.102 -11.915 0.000) 17.710 6.384 ( 5.500 6.397 0.000) 8.436 7.248 ( -2.711 5.664 0.000) 6.279 8.205 ( 1.015 -0.049 0.000) 1.016 8.294 ( -7.956 4.304 0.000) 9.046 8.679 ( 4.258 -14.981 0.000) 15.574 10.662 ( 10.911 -8.041 0.000) 13.553 11.060 ( -0.303 -5.447 0.000) 5.455 11.272 ( -0.108 -24.036 0.000) 24.036 13.588 ( 2.210 -3.700 0.000) 4.310 13.594 ( -4.345 -3.623 0.000) 5.657 14.757 ( 1.252 5.541 0.000) 5.681 14.827 ( 11.780 3.505 0.000) 12.290 17.213 ( -6.610 -4.551 0.000) 8.025 17.641 ( 5.254 1.763 0.000) 5.542 17.744 ( 2.522 1.103 0.000) 2.752 18.038 ( -6.913 -2.313 0.000) 7.289 19.425 ( 0.791 7.294 0.000) 7.336 20.497 ( 0.619 -2.103 0.000) 2.192 28.843 ( 10.744 -0.191 0.000) 10.746 29.138 ( 5.652 3.381 0.000) 6.586 29.486 ( -15.837 3.464 0.000) 16.212 30.233 ( -18.390 2.463 0.000) 18.554 33.945 ( 4.108 19.554 0.000) 19.981 34.887 ( -3.150 3.145 0.000) 4.451 35.902 ( 8.954 -8.952 0.000) 12.661 36.433 ( 4.082 -4.912 0.000) 6.387 ======================= Grid point 46 (34/215) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 0.000 25.449 0.000) 25.449 2.616 ( 0.000 30.706 0.000) 30.706 4.267 ( 0.000 56.664 0.000) 56.664 4.405 ( -0.000 -0.707 0.000) 0.707 4.551 ( 0.000 1.736 0.000) 1.736 5.228 ( 0.000 4.752 0.000) 4.752 5.326 ( -0.000 -6.823 0.000) 6.823 5.486 ( 0.000 5.834 0.000) 5.834 5.910 ( -0.000 -26.467 0.000) 26.467 6.082 ( -0.000 -11.015 0.000) 11.015 6.370 ( 0.000 6.680 0.000) 6.680 7.162 ( 0.000 6.018 0.000) 6.018 8.149 ( 0.000 7.038 0.000) 7.038 8.211 ( 0.000 0.597 0.000) 0.597 8.844 ( -0.000 -9.242 0.000) 9.242 10.840 ( -0.000 -8.630 0.000) 8.630 11.129 ( -0.000 -8.090 0.000) 8.090 11.535 ( -0.000 -25.747 0.000) 25.747 13.602 ( -0.000 -4.579 0.000) 4.579 13.632 ( -0.000 -1.163 0.000) 1.163 14.703 ( 0.000 6.593 0.000) 6.593 14.923 ( -0.000 -0.606 0.000) 0.606 17.205 ( -0.000 -5.003 0.000) 5.003 17.668 ( 0.000 2.540 0.000) 2.540 17.753 ( 0.000 1.512 0.000) 1.512 18.000 ( -0.000 -2.671 0.000) 2.671 19.368 ( 0.000 4.599 0.000) 4.599 20.506 ( 0.000 1.452 0.000) 1.452 28.966 ( -0.000 -2.080 0.000) 2.080 29.152 ( 0.000 5.841 0.000) 5.841 29.291 ( 0.000 3.743 0.000) 3.743 30.019 ( 0.000 4.638 0.000) 4.638 33.769 ( 0.000 19.574 0.000) 19.574 34.828 ( 0.000 3.186 0.000) 3.186 36.081 ( -0.000 -9.317 0.000) 9.317 36.520 ( -0.000 -5.248 0.000) 5.248 ======================= Grid point 53 (35/215) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.941 ( 10.600 -0.000 0.000) 10.600 3.962 ( -23.444 0.000 0.000) 23.444 4.389 ( 2.655 -0.000 0.000) 2.655 4.792 ( 24.976 -0.000 0.000) 24.976 5.146 ( 7.521 -0.000 0.000) 7.521 5.374 ( -16.686 0.000 0.000) 16.686 5.815 ( 2.520 -0.000 0.000) 2.520 6.113 ( -40.493 0.000 0.000) 40.493 6.642 ( -7.746 0.000 0.000) 7.746 6.780 ( -15.190 0.000 0.000) 15.190 7.309 ( 15.877 -0.000 0.000) 15.877 7.516 ( -10.634 0.000 0.000) 10.634 7.796 ( -13.682 0.000 0.000) 13.682 8.116 ( 2.315 -0.000 0.000) 2.315 8.542 ( -5.457 0.000 0.000) 5.457 9.537 ( 11.897 -0.000 0.000) 11.897 10.858 ( -10.240 0.000 0.000) 10.240 10.909 ( 1.194 -0.000 0.000) 1.194 13.182 ( 4.079 -0.000 0.000) 4.079 13.903 ( -9.515 0.000 0.000) 9.515 14.514 ( 9.850 -0.000 0.000) 9.850 14.732 ( 5.235 -0.000 0.000) 5.235 17.493 ( 1.769 -0.000 0.000) 1.769 17.501 ( -1.105 0.000 0.000) 1.105 17.575 ( -0.828 0.000 0.000) 0.828 18.169 ( -0.680 0.000 0.000) 0.680 19.902 ( 0.015 -0.000 0.000) 0.015 19.978 ( 4.876 -0.000 0.000) 4.876 28.426 ( 4.878 -0.000 0.000) 4.878 28.825 ( 6.492 -0.000 0.000) 6.492 30.539 ( -17.584 0.000 0.000) 17.584 31.376 ( -21.653 0.000 0.000) 21.653 34.016 ( 18.040 -0.000 0.000) 18.040 34.974 ( 11.725 -0.000 0.000) 11.725 35.365 ( -11.752 0.000 0.000) 11.752 35.856 ( 12.485 -0.000 0.000) 12.485 ======================= Grid point 54 (36/215) ======================= q-point: (-0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.609 ( -19.295 -0.922 0.000) 19.317 4.162 ( 15.420 -1.748 0.000) 15.519 4.427 ( 1.650 -0.647 0.000) 1.773 4.983 ( -18.758 14.681 0.000) 23.820 5.146 ( 4.781 -0.200 0.000) 4.785 5.213 ( 0.939 0.423 0.000) 1.030 5.252 ( -50.693 -5.889 0.000) 51.034 5.879 ( 0.557 -5.358 0.000) 5.387 6.469 ( -21.211 1.032 0.000) 21.237 6.653 ( 4.685 4.515 0.000) 6.506 7.172 ( -14.508 20.782 0.000) 25.345 7.481 ( 5.813 2.515 0.000) 6.334 7.759 ( -5.562 -19.068 0.000) 19.862 8.154 ( 2.122 -0.045 0.000) 2.123 8.478 ( -3.415 -1.184 0.000) 3.614 9.812 ( 19.639 -2.798 0.000) 19.837 10.741 ( -7.111 -4.479 0.000) 8.404 10.942 ( 1.806 -0.941 0.000) 2.036 13.271 ( 5.315 -2.025 0.000) 5.688 13.751 ( -9.479 -0.547 0.000) 9.495 14.666 ( 11.036 3.091 0.000) 11.461 14.804 ( 4.278 1.023 0.000) 4.399 17.392 ( -9.076 0.091 0.000) 9.076 17.533 ( 3.706 0.717 0.000) 3.774 17.632 ( 4.494 -0.537 0.000) 4.526 18.142 ( -3.965 -1.765 0.000) 4.340 19.819 ( 1.366 11.599 0.000) 11.679 20.131 ( 2.908 -10.779 0.000) 11.165 28.534 ( 8.652 0.434 0.000) 8.663 28.939 ( 7.229 -0.538 0.000) 7.249 30.218 ( -21.308 0.515 0.000) 21.314 31.008 ( -22.878 1.164 0.000) 22.908 34.264 ( 16.621 7.288 0.000) 18.148 35.188 ( 11.380 -5.266 0.000) 12.540 35.189 ( -9.384 0.969 0.000) 9.434 36.050 ( 10.578 -1.224 0.000) 10.648 ======================= Grid point 55 (37/215) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 370 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( -11.978 -1.509 0.000) 12.073 4.067 ( -57.004 10.457 0.000) 57.955 4.459 ( 9.836 -0.567 0.000) 9.852 4.475 ( 10.036 -6.208 0.000) 11.801 4.788 ( -22.703 -2.075 0.000) 22.798 5.182 ( -5.592 -2.814 0.000) 6.260 5.286 ( 9.500 7.499 0.000) 12.103 5.917 ( -3.240 -5.696 0.000) 6.553 6.124 ( -17.721 4.092 0.000) 18.187 6.630 ( 3.198 11.729 0.000) 12.157 6.704 ( -12.662 24.510 0.000) 27.587 7.456 ( -3.378 3.739 0.000) 5.039 7.956 ( 0.907 -23.556 0.000) 23.573 8.183 ( 0.977 -0.795 0.000) 1.260 8.446 ( -1.757 0.401 0.000) 1.802 10.185 ( 19.378 -5.891 0.000) 20.254 10.729 ( -3.839 -10.131 0.000) 10.834 10.977 ( 1.252 -0.739 0.000) 1.454 13.385 ( 4.702 -3.764 0.000) 6.023 13.619 ( -7.783 -1.226 0.000) 7.879 14.805 ( 11.426 4.949 0.000) 12.451 14.846 ( 3.022 2.225 0.000) 3.753 17.244 ( -9.930 -1.787 0.000) 10.090 17.597 ( 5.272 1.115 0.000) 5.389 17.705 ( 3.888 -0.180 0.000) 3.892 18.078 ( -6.387 -2.141 0.000) 6.736 19.719 ( 1.357 11.517 0.000) 11.597 20.277 ( 1.769 -9.666 0.000) 9.827 28.687 ( 10.999 1.031 0.000) 11.047 29.063 ( 7.295 -0.528 0.000) 7.314 29.865 ( -20.456 1.455 0.000) 20.508 30.629 ( -21.796 1.701 0.000) 21.863 34.382 ( 11.853 14.129 0.000) 18.443 35.046 ( -6.488 1.729 0.000) 6.715 35.441 ( 10.091 -9.190 0.000) 13.649 36.217 ( 7.692 -2.382 0.000) 8.052 ======================= Grid point 56 (38/215) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( -40.438 12.821 0.000) 42.422 3.230 ( -5.312 3.707 0.000) 6.478 4.491 ( -15.234 -1.595 0.000) 15.317 4.522 ( 2.885 -1.174 0.000) 3.115 4.833 ( 14.178 -13.553 0.000) 19.614 5.125 ( -6.493 -6.733 0.000) 9.354 5.310 ( 7.550 11.854 0.000) 14.055 5.779 ( -13.888 16.185 0.000) 21.327 5.903 ( -4.909 -5.120 0.000) 7.093 6.278 ( -7.918 23.688 0.000) 24.977 6.550 ( 2.896 10.755 0.000) 11.138 7.343 ( -4.611 3.374 0.000) 5.713 8.192 ( 1.232 -2.438 0.000) 2.732 8.257 ( 1.688 -22.825 0.000) 22.887 8.393 ( -1.823 4.535 0.000) 4.888 10.510 ( 11.504 -6.575 0.000) 13.250 10.830 ( -1.261 -16.809 0.000) 16.856 10.997 ( 0.370 -0.872 0.000) 0.947 13.491 ( 2.618 -4.715 0.000) 5.393 13.535 ( -4.433 -1.983 0.000) 4.856 14.853 ( 1.526 3.486 0.000) 3.805 14.922 ( 8.865 4.767 0.000) 10.066 17.127 ( -7.248 -3.404 0.000) 8.008 17.675 ( 5.708 1.366 0.000) 5.869 17.756 ( 2.273 0.094 0.000) 2.275 17.990 ( -6.702 -2.022 0.000) 7.000 19.620 ( 0.830 10.719 0.000) 10.751 20.389 ( 0.802 -7.687 0.000) 7.729 28.851 ( 9.788 0.862 0.000) 9.826 29.178 ( 6.804 0.617 0.000) 6.832 29.551 ( -15.279 2.510 0.000) 15.484 30.293 ( -15.875 2.757 0.000) 16.112 34.351 ( 5.756 18.320 0.000) 19.203 34.946 ( -3.283 2.316 0.000) 4.017 35.687 ( 6.562 -11.009 0.000) 12.816 36.343 ( 4.054 -3.430 0.000) 5.311 ======================= Grid point 57 (39/215) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 0.000 17.317 0.000) 17.317 3.098 ( 0.000 13.703 0.000) 13.703 4.379 ( -0.000 -1.708 0.000) 1.708 4.561 ( -0.000 -0.816 0.000) 0.816 5.152 ( -0.000 -9.024 0.000) 9.024 5.158 ( -0.000 -22.296 0.000) 22.296 5.300 ( 0.000 39.529 0.000) 39.529 5.338 ( 0.000 5.339 0.000) 5.339 5.905 ( -0.000 -5.864 0.000) 5.864 5.975 ( 0.000 20.298 0.000) 20.298 6.494 ( 0.000 6.235 0.000) 6.235 7.266 ( 0.000 3.774 0.000) 3.774 8.209 ( -0.000 -0.632 0.000) 0.632 8.306 ( 0.000 7.398 0.000) 7.398 8.520 ( -0.000 -21.257 0.000) 21.257 10.673 ( -0.000 -6.883 0.000) 6.883 11.016 ( -0.000 -2.568 0.000) 2.568 11.029 ( -0.000 -21.712 0.000) 21.712 13.524 ( -0.000 -2.800 0.000) 2.800 13.562 ( -0.000 -4.664 0.000) 4.664 14.822 ( 0.000 4.662 0.000) 4.662 14.959 ( 0.000 3.454 0.000) 3.454 17.105 ( -0.000 -4.288 0.000) 4.288 17.717 ( 0.000 2.018 0.000) 2.018 17.772 ( 0.000 0.368 0.000) 0.368 17.945 ( -0.000 -2.397 0.000) 2.397 19.521 ( 0.000 9.412 0.000) 9.412 20.464 ( -0.000 -5.159 0.000) 5.159 28.941 ( -0.000 -0.278 0.000) 0.278 29.242 ( 0.000 2.603 0.000) 2.603 29.366 ( 0.000 3.194 0.000) 3.194 30.114 ( 0.000 4.103 0.000) 4.103 34.192 ( 0.000 20.070 0.000) 20.070 34.892 ( 0.000 2.776 0.000) 2.776 35.863 ( -0.000 -11.247 0.000) 11.247 36.417 ( -0.000 -4.305 0.000) 4.305 ======================= Grid point 66 (40/215) ======================= q-point: ( 0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.331 ( -13.459 0.000 0.000) 13.459 4.180 ( -60.637 0.000 0.000) 60.637 4.419 ( 16.854 -0.000 0.000) 16.854 4.459 ( 2.788 -0.000 0.000) 2.788 4.759 ( -20.804 0.000 0.000) 20.804 5.149 ( -7.751 0.000 0.000) 7.751 5.366 ( 9.957 -0.000 0.000) 9.957 5.858 ( -0.746 0.000 0.000) 0.746 6.159 ( -16.200 0.000 0.000) 16.200 6.768 ( 5.219 -0.000 0.000) 5.219 7.104 ( -12.152 0.000 0.000) 12.152 7.497 ( -4.641 0.000 0.000) 4.641 7.564 ( -0.891 0.000 0.000) 0.891 8.177 ( 0.822 -0.000 0.000) 0.822 8.451 ( 0.647 -0.000 0.000) 0.647 10.116 ( 18.668 -0.000 0.000) 18.668 10.624 ( -4.159 0.000 0.000) 4.159 10.972 ( 2.067 -0.000 0.000) 2.067 13.344 ( 4.761 -0.000 0.000) 4.761 13.606 ( -7.827 0.000 0.000) 7.827 14.859 ( 10.707 -0.000 0.000) 10.707 14.870 ( 3.130 -0.000 0.000) 3.130 17.224 ( -10.711 0.000 0.000) 10.711 17.610 ( 5.185 -0.000 0.000) 5.185 17.701 ( 4.010 -0.000 0.000) 4.010 18.054 ( -5.767 0.000 0.000) 5.767 19.903 ( 0.044 -0.000 0.000) 0.044 20.112 ( 3.149 -0.000 0.000) 3.149 28.700 ( 11.186 -0.000 0.000) 11.186 29.055 ( 7.454 -0.000 0.000) 7.454 29.881 ( -20.177 0.000 0.000) 20.177 30.648 ( -21.755 0.000 0.000) 21.755 34.555 ( 13.475 -0.000 0.000) 13.475 35.065 ( -6.565 0.000 0.000) 6.565 35.321 ( 8.794 -0.000 0.000) 8.794 36.192 ( 7.692 -0.000 0.000) 7.692 ======================= Grid point 68 (41/215) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( -6.261 -3.513 0.000) 7.179 3.315 ( -40.519 4.427 0.000) 40.760 4.460 ( -15.278 -0.960 0.000) 15.309 4.513 ( 3.744 0.394 0.000) 3.764 4.680 ( 12.662 -2.872 0.000) 12.984 5.017 ( -8.807 -2.880 0.000) 9.266 5.448 ( 2.913 2.842 0.000) 4.070 5.835 ( -2.900 -1.483 0.000) 3.257 5.969 ( -6.233 3.029 0.000) 6.930 6.791 ( 2.786 8.326 0.000) 8.780 6.803 ( -6.774 22.312 0.000) 23.317 7.390 ( -5.978 1.098 0.000) 6.078 7.715 ( 0.927 -22.567 0.000) 22.586 8.185 ( 0.166 -0.384 0.000) 0.418 8.465 ( 1.241 1.915 0.000) 2.282 10.378 ( 10.128 -4.778 0.000) 11.198 10.611 ( -0.614 -4.248 0.000) 4.292 10.997 ( 1.159 0.326 0.000) 1.204 13.416 ( 2.754 -1.971 0.000) 3.386 13.509 ( -4.465 -0.618 0.000) 4.508 14.902 ( 1.643 1.186 0.000) 2.026 14.999 ( 7.501 2.091 0.000) 7.787 17.077 ( -7.550 -1.262 0.000) 7.654 17.696 ( 5.663 0.574 0.000) 5.692 17.753 ( 2.251 -0.174 0.000) 2.258 17.960 ( -6.217 -0.786 0.000) 6.267 19.846 ( 0.368 9.245 0.000) 9.253 20.205 ( 1.323 -8.322 0.000) 8.426 28.871 ( 9.468 0.716 0.000) 9.495 29.177 ( 7.422 -0.307 0.000) 7.428 29.588 ( -15.096 0.899 0.000) 15.123 30.336 ( -15.177 1.105 0.000) 15.217 34.670 ( 7.100 9.968 0.000) 12.238 34.980 ( -3.361 0.851 0.000) 3.467 35.475 ( 5.204 -7.330 0.000) 8.990 36.294 ( 4.051 -1.221 0.000) 4.231 ======================= Grid point 69 (42/215) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 0.000 8.865 0.000) 8.865 3.184 ( -0.000 -3.249 0.000) 3.249 4.341 ( -0.000 -1.571 0.000) 1.571 4.545 ( 0.000 0.223 0.000) 0.223 4.850 ( -0.000 -7.724 0.000) 7.724 4.983 ( -0.000 -6.226 0.000) 6.226 5.436 ( 0.000 3.566 0.000) 3.566 5.822 ( -0.000 -2.280 0.000) 2.280 5.845 ( 0.000 12.274 0.000) 12.274 6.485 ( 0.000 26.237 0.000) 26.237 6.697 ( 0.000 12.489 0.000) 12.489 7.323 ( 0.000 1.704 0.000) 1.704 7.994 ( -0.000 -26.969 0.000) 26.969 8.192 ( -0.000 -0.719 0.000) 0.719 8.438 ( 0.000 4.703 0.000) 4.703 10.533 ( -0.000 -7.794 0.000) 7.794 10.675 ( -0.000 -9.458 0.000) 9.458 11.001 ( 0.000 0.481 0.000) 0.481 13.468 ( -0.000 -3.595 0.000) 3.595 13.482 ( -0.000 -1.281 0.000) 1.281 14.897 ( 0.000 2.399 0.000) 2.399 15.037 ( 0.000 3.215 0.000) 3.215 17.032 ( -0.000 -2.492 0.000) 2.492 17.751 ( 0.000 1.119 0.000) 1.119 17.773 ( -0.000 -0.124 0.000) 0.124 17.904 ( -0.000 -1.452 0.000) 1.452 19.741 ( 0.000 10.886 0.000) 10.886 20.308 ( -0.000 -8.941 0.000) 8.941 28.949 ( 0.000 0.794 0.000) 0.794 29.267 ( 0.000 0.158 0.000) 0.158 29.420 ( 0.000 1.823 0.000) 1.823 30.184 ( 0.000 2.406 0.000) 2.406 34.584 ( 0.000 16.165 0.000) 16.165 34.940 ( 0.000 1.611 0.000) 1.611 35.620 ( -0.000 -11.062 0.000) 11.062 36.346 ( -0.000 -2.385 0.000) 2.385 ======================= Grid point 81 (43/215) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( -0.000 -0.000 0.000) 0.000 3.120 ( -0.000 -0.000 0.000) 0.000 4.323 ( -0.000 -0.000 0.000) 0.000 4.559 ( -0.000 -0.000 0.000) 0.000 4.773 ( -0.000 -0.000 0.000) 0.000 4.914 ( -0.000 -0.000 0.000) 0.000 5.475 ( -0.000 -0.000 0.000) 0.000 5.799 ( -0.000 -0.000 0.000) 0.000 5.945 ( -0.000 -0.000 0.000) 0.000 6.863 ( -0.000 -0.000 0.000) 0.000 6.886 ( -0.000 -0.000 0.000) 0.000 7.340 ( -0.000 -0.000 0.000) 0.000 7.584 ( 0.000 0.000 0.000) 0.000 8.184 ( -0.000 -0.000 0.000) 0.000 8.489 ( -0.000 -0.000 0.000) 0.000 10.418 ( -0.000 -0.000 0.000) 0.000 10.601 ( 0.000 0.000 0.000) 0.000 11.010 ( -0.000 -0.000 0.000) 0.000 13.428 ( -0.000 -0.000 0.000) 0.000 13.468 ( -0.000 -0.000 0.000) 0.000 14.922 ( -0.000 -0.000 0.000) 0.000 15.073 ( -0.000 -0.000 0.000) 0.000 17.005 ( -0.000 -0.000 0.000) 0.000 17.763 ( -0.000 -0.000 0.000) 0.000 17.771 ( -0.000 -0.000 0.000) 0.000 17.888 ( -0.000 -0.000 0.000) 0.000 19.904 ( -0.000 -0.000 0.000) 0.000 20.165 ( -0.000 -0.000 0.000) 0.000 28.960 ( -0.000 -0.000 0.000) 0.000 29.266 ( -0.000 -0.000 0.000) 0.000 29.439 ( -0.000 -0.000 0.000) 0.000 30.210 ( -0.000 -0.000 0.000) 0.000 34.786 ( 0.000 0.000 0.000) 0.000 34.957 ( -0.000 -0.000 0.000) 0.000 35.474 ( -0.000 -0.000 0.000) 0.000 36.320 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 149 (44/215) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 0.000 0.000 41.972) 41.972 0.851 ( 0.000 0.000 44.103) 44.103 1.095 ( 0.000 0.000 55.479) 55.479 4.389 ( 0.000 0.000 -3.607) 3.607 4.405 ( 0.000 0.000 0.939) 0.939 4.887 ( 0.000 0.000 -16.159) 16.159 5.141 ( 0.000 0.000 -24.724) 24.724 5.612 ( 0.000 0.000 3.385) 3.385 6.169 ( 0.000 0.000 15.088) 15.088 6.251 ( 0.000 0.000 -19.089) 19.089 7.330 ( 0.000 0.000 26.503) 26.503 7.784 ( 0.000 0.000 -11.198) 11.198 8.203 ( 0.000 0.000 7.367) 7.367 8.526 ( 0.000 0.000 10.209) 10.209 8.665 ( 0.000 0.000 -13.614) 13.614 9.970 ( 0.000 0.000 -2.935) 2.935 12.400 ( 0.000 0.000 2.972) 2.972 12.898 ( 0.000 0.000 -3.210) 3.210 13.337 ( 0.000 0.000 4.884) 4.884 13.940 ( 0.000 0.000 0.365) 0.365 14.137 ( 0.000 0.000 -3.300) 3.300 14.270 ( 0.000 0.000 -2.348) 2.348 17.445 ( 0.000 0.000 0.396) 0.396 17.522 ( 0.000 0.000 -0.290) 0.290 17.568 ( 0.000 0.000 -0.447) 0.447 17.627 ( 0.000 0.000 -0.766) 0.766 20.009 ( 0.000 0.000 2.588) 2.588 20.459 ( 0.000 0.000 -1.378) 1.378 28.807 ( 0.000 0.000 -0.100) 0.100 28.814 ( 0.000 0.000 -0.167) 0.167 29.162 ( 0.000 0.000 2.438) 2.438 29.807 ( 0.000 0.000 -3.017) 3.017 33.034 ( 0.000 0.000 0.688) 0.688 33.345 ( 0.000 0.000 -2.088) 2.088 36.775 ( 0.000 0.000 3.330) 3.330 37.398 ( 0.000 0.000 -2.086) 2.086 ======================= Grid point 150 (45/215) ======================= q-point: ( 0.08 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 24.171 -18.451 23.201) 38.249 1.201 ( 17.956 -32.523 27.573) 46.265 1.882 ( 59.119 -15.641 36.868) 71.407 4.332 ( -7.307 -1.594 -6.166) 9.693 4.627 ( 21.144 1.805 -5.131) 21.832 5.029 ( 13.715 0.080 -14.819) 20.192 5.120 ( -0.543 -2.332 -17.181) 17.347 5.685 ( 9.587 0.805 6.558) 11.643 6.026 ( -1.794 5.199 11.477) 12.726 6.269 ( 1.751 -0.484 -18.287) 18.377 7.296 ( -3.073 4.020 25.643) 26.138 7.586 ( -21.999 7.487 26.091) 34.939 8.102 ( 14.477 2.694 -9.594) 17.575 8.641 ( 2.798 2.203 -14.409) 14.843 9.207 ( 47.584 47.097 -15.143) 68.642 10.383 ( 7.643 -41.117 -33.922) 53.849 12.073 ( -11.097 34.843 14.812) 39.454 12.651 ( -14.746 3.076 -2.086) 15.207 13.336 ( -3.494 -6.101 3.841) 8.011 13.958 ( 4.747 3.845 1.470) 6.284 14.213 ( -5.804 -11.556 -9.065) 15.793 14.394 ( 1.664 -9.608 -4.180) 10.609 17.428 ( -0.017 1.461 -2.145) 2.595 17.533 ( 0.077 -0.776 -0.709) 1.054 17.619 ( -2.695 -1.963 -0.390) 3.357 17.631 ( -0.014 -11.185 -5.657) 12.534 19.992 ( -12.508 6.087 14.325) 19.968 20.095 ( -8.217 -3.358 9.188) 12.775 28.749 ( -8.917 -3.753 -0.418) 9.684 28.796 ( -2.863 -2.534 -0.923) 3.933 29.347 ( 18.707 -0.798 2.374) 18.874 30.835 ( 83.963 32.059 -51.221) 103.446 33.056 ( 0.364 -4.497 0.190) 4.516 33.589 ( -0.165 -38.712 -22.051) 44.552 36.665 ( -33.000 10.808 28.843) 45.141 36.761 ( -18.691 1.034 15.923) 24.576 ======================= Grid point 151 (46/215) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 32.223 -22.283 8.444) 40.077 1.891 ( 20.425 -36.033 15.010) 44.055 3.073 ( 64.117 -17.714 21.366) 69.866 4.213 ( -9.594 -2.430 -8.656) 13.148 4.983 ( 19.118 1.999 -6.620) 20.330 5.077 ( 5.396 -0.953 -11.902) 13.103 5.378 ( 18.385 -4.661 -10.127) 21.501 5.881 ( 13.691 3.731 12.814) 19.120 6.021 ( 8.148 2.964 1.246) 8.759 6.283 ( -0.275 3.958 -12.689) 13.295 7.046 ( -15.003 6.732 20.595) 26.355 7.357 ( -3.993 0.536 22.390) 22.750 8.211 ( 5.694 7.726 -5.566) 11.095 8.669 ( -0.387 -2.507 -8.920) 9.273 9.265 ( 15.764 29.514 -5.855) 33.968 10.642 ( -6.826 -5.647 -27.777) 29.156 11.563 ( -11.781 20.905 10.209) 26.077 12.385 ( -12.103 7.998 -6.187) 15.771 13.347 ( -4.450 -7.858 2.773) 9.447 14.004 ( 7.085 5.829 3.399) 9.784 14.199 ( -7.780 -6.178 -9.391) 13.670 14.452 ( -1.370 -4.834 1.364) 5.206 17.424 ( 1.060 1.113 -2.669) 3.080 17.517 ( -3.001 0.014 -0.902) 3.134 17.600 ( -0.958 -1.394 0.090) 1.694 17.782 ( 2.968 -12.117 -9.964) 15.966 19.717 ( -7.349 7.842 17.783) 20.779 20.164 ( -1.115 -11.367 0.721) 11.444 28.648 ( -6.290 -0.969 0.247) 6.369 28.774 ( -4.417 -4.242 -1.231) 6.246 29.714 ( 24.520 -0.985 2.828) 24.702 31.399 ( 42.611 41.290 -26.709) 65.069 33.135 ( 1.467 -7.036 -0.205) 7.190 33.995 ( 1.270 -33.195 -34.520) 47.908 36.042 ( -27.309 0.530 41.121) 49.366 36.610 ( -8.576 2.512 3.515) 9.603 ======================= Grid point 152 (47/215) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 28.422 -21.233 4.120) 35.716 2.582 ( 21.887 -30.183 8.400) 38.218 4.084 ( -9.469 -2.865 -8.497) 13.041 4.247 ( 56.330 -16.301 8.207) 59.212 4.984 ( -2.281 1.141 -10.870) 11.165 5.462 ( 22.059 -3.417 -3.076) 22.533 5.702 ( 12.458 -5.703 1.454) 13.778 5.917 ( 6.800 11.372 3.282) 13.651 6.124 ( -3.964 10.941 5.117) 12.712 6.307 ( 22.493 -0.281 2.246) 22.607 6.894 ( -3.667 -6.218 7.915) 10.712 7.313 ( -0.264 2.895 16.643) 16.895 8.155 ( -1.254 8.100 -4.951) 9.576 8.646 ( -4.128 0.842 -3.942) 5.770 9.160 ( 3.518 19.203 -3.698) 19.870 10.360 ( -20.742 10.087 -16.813) 28.542 11.294 ( -5.932 5.678 2.484) 8.579 12.090 ( -11.393 11.436 -6.699) 17.477 13.356 ( -4.859 -8.154 1.924) 9.685 14.055 ( 5.222 5.280 2.392) 7.802 14.108 ( -5.242 0.486 -5.465) 7.588 14.487 ( -0.585 -4.569 1.921) 4.991 17.435 ( 1.505 1.047 -1.400) 2.307 17.452 ( -4.319 -0.066 0.123) 4.321 17.611 ( 0.317 -0.996 -0.135) 1.054 17.963 ( 4.405 -10.148 -11.689) 16.094 19.563 ( -3.480 5.864 14.031) 15.601 20.263 ( -1.011 -10.387 -0.702) 10.460 28.566 ( -3.956 0.966 0.574) 4.112 28.745 ( -5.171 -5.019 -1.237) 7.312 30.126 ( 24.620 -0.858 3.144) 24.834 31.524 ( 22.155 29.843 -11.726) 38.973 33.237 ( 1.290 -7.559 -0.029) 7.668 34.315 ( 2.480 -22.454 -31.979) 39.153 35.725 ( -14.180 -1.427 30.800) 33.938 36.418 ( -11.004 3.544 3.212) 11.998 ======================= Grid point 153 (48/215) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 19.170 -20.163 0.720) 27.831 3.223 ( 24.351 -19.226 6.089) 31.618 3.970 ( -8.089 -2.764 -5.657) 10.251 4.798 ( 0.729 6.058 -14.255) 15.506 5.226 ( 17.505 -6.495 3.905) 19.075 5.652 ( 9.047 -1.636 12.467) 15.490 5.659 ( -3.810 5.177 6.244) 8.961 6.124 ( 15.860 -9.965 2.237) 18.864 6.317 ( 31.938 0.927 2.735) 32.069 6.626 ( 14.807 0.433 -0.543) 14.823 6.972 ( 2.716 -7.918 4.556) 9.530 7.266 ( 1.333 9.103 8.695) 12.659 8.029 ( -4.536 5.535 -3.384) 7.916 8.525 ( -7.114 3.683 -1.385) 8.130 8.975 ( -4.263 15.350 -4.709) 16.612 9.893 ( -22.503 8.312 -11.877) 26.769 11.193 ( -3.131 1.024 0.609) 3.350 11.794 ( -9.810 11.322 -5.400) 15.924 13.361 ( -4.536 -7.099 1.298) 8.523 13.982 ( -4.151 2.783 -5.937) 7.761 14.123 ( 5.842 4.365 3.712) 8.182 14.521 ( -0.770 -3.627 1.624) 4.048 17.384 ( -2.928 0.888 1.319) 3.332 17.456 ( 1.246 -0.219 -0.229) 1.285 17.623 ( -0.005 -0.677 -0.203) 0.707 18.125 ( 4.023 -7.273 -11.986) 14.586 19.470 ( -1.878 3.912 11.828) 12.599 20.344 ( -0.769 -7.596 -1.675) 7.817 28.500 ( -2.405 1.759 0.783) 3.080 28.716 ( -4.586 -4.491 -1.257) 6.541 30.499 ( 19.984 -0.588 3.001) 20.217 31.531 ( 11.215 18.667 -5.524) 22.467 33.328 ( 0.674 -6.418 0.092) 6.454 34.554 ( 2.762 -15.014 -27.520) 31.470 35.586 ( -4.878 -0.733 22.178) 22.720 36.190 ( -12.111 3.831 4.043) 13.331 ======================= Grid point 154 (49/215) ======================= q-point: ( 0.42 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.527 ( 12.206 -13.209 -1.848) 18.080 3.703 ( 12.609 -7.590 4.863) 15.500 3.917 ( 0.402 -4.738 -1.309) 4.932 4.685 ( -3.640 6.535 -12.643) 14.691 5.110 ( -11.445 5.662 12.135) 17.615 5.511 ( -4.106 5.677 13.280) 15.015 6.176 ( 24.881 -13.787 -2.201) 28.530 6.486 ( 11.332 -13.162 4.349) 17.904 6.727 ( 1.982 -1.980 -0.341) 2.822 6.865 ( 21.152 -3.442 -0.818) 21.446 7.099 ( -0.751 13.034 0.534) 13.067 7.188 ( 15.103 1.003 6.401) 16.434 7.931 ( -2.713 0.840 -2.785) 3.978 8.375 ( -5.782 3.259 1.214) 6.747 8.686 ( -13.554 11.607 -7.607) 19.399 9.526 ( -13.795 3.582 -6.557) 15.688 11.156 ( -1.260 -0.137 0.164) 1.278 11.563 ( -5.894 7.257 -4.016) 10.175 13.360 ( -2.957 -4.250 0.914) 5.258 13.908 ( -1.651 2.190 -5.793) 6.409 14.163 ( 3.487 2.506 3.193) 5.351 14.538 ( -0.683 -1.979 1.647) 2.664 17.341 ( -1.509 0.467 2.210) 2.716 17.478 ( 1.033 -0.124 0.537) 1.171 17.625 ( -0.322 -0.349 -0.233) 0.529 18.237 ( 2.356 -3.819 -11.747) 12.575 19.418 ( -0.867 1.953 10.624) 10.837 20.396 ( -0.408 -3.965 -2.286) 4.595 28.455 ( -1.178 1.289 0.898) 1.964 28.694 ( -2.694 -2.653 -1.307) 4.000 30.763 ( 11.527 -0.435 2.525) 11.808 31.507 ( 4.284 9.152 -2.749) 10.473 33.389 ( 0.231 -3.701 0.127) 3.710 34.714 ( 1.605 -8.113 -23.576) 24.985 35.576 ( 2.401 -0.557 13.876) 14.093 35.962 ( -10.927 3.207 7.042) 13.389 ======================= Grid point 155 (50/215) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.725 ( 0.000 -0.000 -1.785) 1.785 3.756 ( 0.000 -0.000 2.159) 2.159 4.039 ( 0.000 -0.000 1.277) 1.277 4.604 ( 0.000 -0.000 -11.306) 11.306 4.967 ( 0.000 -0.000 13.308) 13.308 5.441 ( 0.000 -0.000 14.855) 14.855 6.567 ( -0.000 -0.000 -2.736) 2.736 6.615 ( 0.000 0.000 1.551) 1.551 6.803 ( 0.000 -0.000 4.817) 4.817 6.841 ( -0.000 0.000 -4.513) 4.513 7.024 ( 0.000 -0.000 -1.823) 1.823 7.472 ( 0.000 -0.000 5.242) 5.242 7.907 ( 0.000 -0.000 -4.307) 4.307 8.305 ( 0.000 -0.000 3.207) 3.207 8.438 ( 0.000 0.000 -8.295) 8.295 9.396 ( 0.000 -0.000 -4.373) 4.373 11.147 ( 0.000 -0.000 0.046) 0.046 11.474 ( -0.000 -0.000 -3.505) 3.505 13.358 ( 0.000 -0.000 0.780) 0.780 13.883 ( 0.000 -0.000 -5.745) 5.745 14.178 ( 0.000 -0.000 2.865) 2.865 14.543 ( 0.000 0.000 1.717) 1.717 17.327 ( 0.000 -0.000 2.546) 2.546 17.487 ( 0.000 -0.000 0.801) 0.801 17.624 ( 0.000 -0.000 -0.257) 0.257 18.276 ( 0.000 -0.000 -11.593) 11.593 19.400 ( 0.000 -0.000 10.234) 10.234 20.414 ( 0.000 -0.000 -2.498) 2.498 28.438 ( 0.000 -0.000 0.934) 0.934 28.686 ( 0.000 -0.000 -1.333) 1.333 30.861 ( 0.000 -0.000 2.227) 2.227 31.490 ( 0.000 -0.000 -1.862) 1.862 33.411 ( 0.000 -0.000 0.133) 0.133 34.770 ( 0.000 -0.000 -21.594) 21.594 35.628 ( 0.000 -0.000 6.232) 6.232 35.827 ( 0.000 -0.000 12.335) 12.335 ======================= Grid point 163 (51/215) ======================= q-point: ( 0.08 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 31.313 -0.000 21.312) 37.877 1.505 ( 38.033 -0.000 10.696) 39.508 2.884 ( 68.436 -0.000 25.329) 72.973 4.186 ( -9.362 0.000 -9.057) 13.026 5.002 ( 21.663 -0.000 -4.353) 22.096 5.073 ( 0.967 -0.000 -14.346) 14.379 5.326 ( 18.727 -0.000 -12.296) 22.404 5.913 ( 17.762 -0.000 13.879) 22.541 6.077 ( 4.960 -0.000 6.232) 7.965 6.302 ( 2.709 -0.000 -20.944) 21.118 7.195 ( -26.523 0.000 23.501) 35.437 7.290 ( -1.907 0.000 24.381) 24.456 8.352 ( 11.807 -0.000 -2.045) 11.983 8.580 ( -4.797 0.000 -11.011) 12.011 9.801 ( -9.429 0.000 -5.231) 10.783 10.445 ( 21.432 -0.000 -58.326) 62.139 12.108 ( -31.138 0.000 13.272) 33.848 12.181 ( -11.773 0.000 -0.126) 11.774 13.286 ( -1.179 0.000 2.144) 2.447 14.060 ( 4.294 -0.000 -0.194) 4.299 14.125 ( 1.565 -0.000 -0.749) 1.735 14.377 ( 0.400 -0.000 4.748) 4.765 17.474 ( 3.616 -0.000 -6.655) 7.574 17.501 ( -3.236 0.000 -0.709) 3.312 17.554 ( 1.592 -0.000 -0.222) 1.607 17.619 ( 1.113 -0.000 -3.429) 3.605 19.855 ( -8.391 0.000 15.456) 17.587 19.983 ( -1.420 0.000 1.911) 2.381 28.636 ( -4.158 0.000 0.341) 4.172 28.726 ( -4.380 0.000 -1.050) 4.504 29.704 ( 24.823 -0.000 2.828) 24.984 32.155 ( 38.884 -0.000 -69.813) 79.911 33.106 ( 12.028 -0.000 -10.071) 15.687 33.313 ( -1.526 0.000 -2.129) 2.620 36.042 ( -32.179 0.000 55.040) 63.756 36.635 ( -8.353 0.000 2.915) 8.846 ======================= Grid point 164 (52/215) ======================= q-point: ( 0.17 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 32.748 -14.342 12.123) 37.750 2.182 ( 38.398 -8.906 4.272) 39.648 3.985 ( 62.076 -7.020 16.072) 64.506 4.041 ( -9.105 -1.110 -9.467) 13.182 5.013 ( -2.861 1.075 -11.139) 11.551 5.429 ( 24.175 -0.288 -3.365) 24.410 5.601 ( 13.310 -2.753 -3.867) 14.131 6.124 ( 9.100 7.500 6.521) 13.475 6.233 ( 7.960 -2.229 8.151) 11.609 6.353 ( 9.868 4.022 -14.158) 17.721 6.803 ( -16.188 -1.327 19.494) 25.374 7.287 ( -0.884 -2.998 18.676) 18.936 8.380 ( 0.642 11.432 -4.934) 12.468 8.580 ( -1.743 -6.790 -3.495) 7.833 9.564 ( -6.430 13.708 -8.215) 17.226 10.522 ( -10.634 4.037 -36.107) 37.856 11.516 ( -19.033 15.671 10.980) 26.989 12.074 ( -17.713 -12.260 -3.280) 21.790 13.262 ( -1.911 -0.426 2.522) 3.192 14.082 ( -1.482 -0.990 -4.557) 4.893 14.186 ( 7.034 4.747 3.747) 9.277 14.392 ( -0.777 -3.989 4.463) 6.037 17.442 ( -2.481 0.805 -0.622) 2.682 17.501 ( 1.604 3.373 -1.748) 4.123 17.589 ( 0.699 -0.827 -0.426) 1.164 17.728 ( 5.235 -9.961 -9.358) 14.636 19.721 ( -2.656 8.135 10.198) 13.313 20.027 ( -1.207 -10.395 1.061) 10.518 28.586 ( -2.132 0.850 0.272) 2.311 28.659 ( -5.211 -2.631 -0.706) 5.880 30.115 ( 25.212 -0.243 3.380) 25.439 32.235 ( 7.904 29.987 -25.844) 40.369 33.186 ( 6.391 6.032 -2.587) 9.160 33.706 ( 11.153 -33.147 -30.570) 46.450 35.686 ( -14.656 -1.454 42.381) 44.868 36.469 ( -11.316 1.203 2.746) 11.707 ======================= Grid point 165 (53/215) ======================= q-point: ( 0.25 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 30.003 -13.621 4.925) 33.316 2.892 ( 35.047 -11.925 2.910) 37.134 3.922 ( -7.324 -1.648 -7.344) 10.502 4.910 ( 13.452 3.508 -8.194) 16.138 5.009 ( 30.508 -9.665 3.624) 32.207 5.648 ( 1.624 3.870 3.664) 5.572 5.802 ( 5.770 -0.824 9.497) 11.143 6.028 ( -7.031 4.871 4.763) 9.790 6.318 ( 16.746 -2.443 0.271) 16.926 6.625 ( 14.946 -0.394 1.082) 14.990 6.811 ( 8.774 -6.125 8.229) 13.499 7.327 ( 2.780 -1.443 9.022) 9.550 8.230 ( -3.663 11.246 -4.808) 12.767 8.562 ( -5.582 -0.375 -0.456) 5.613 9.328 ( -4.735 15.293 -8.721) 18.231 10.095 ( -27.548 10.534 -19.113) 35.145 11.215 ( -8.738 2.307 4.178) 9.956 11.875 ( -17.359 -4.574 -4.879) 18.602 13.242 ( -2.462 -2.650 2.865) 4.614 14.051 ( -0.880 2.643 -5.196) 5.896 14.225 ( 4.437 5.299 3.936) 7.953 14.439 ( 0.886 -4.244 3.138) 5.353 17.396 ( -2.308 0.476 0.482) 2.406 17.492 ( 1.840 3.230 -0.214) 3.724 17.605 ( 0.289 -0.720 -0.686) 1.036 17.930 ( 5.531 -10.412 -10.396) 15.719 19.604 ( -0.821 8.598 8.586) 12.179 20.134 ( -0.460 -11.648 -0.468) 11.666 28.534 ( -2.938 1.328 0.354) 3.244 28.626 ( -2.881 -3.533 -0.579) 4.595 30.492 ( 20.555 -0.111 3.502) 20.851 32.012 ( 1.514 24.155 -11.214) 26.674 33.247 ( 4.706 -0.329 -0.753) 4.777 34.162 ( 9.625 -21.544 -29.273) 37.599 35.554 ( -4.791 -1.805 29.152) 29.598 36.253 ( -12.960 2.076 3.082) 13.482 ======================= Grid point 166 (54/215) ======================= q-point: ( 0.33 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( 25.634 -8.653 -0.164) 27.056 3.521 ( 27.486 -9.031 3.248) 29.114 3.848 ( -3.560 -2.069 -3.363) 5.316 4.834 ( -2.896 6.595 -10.514) 12.745 5.247 ( -13.950 7.295 8.422) 17.854 5.676 ( -2.473 8.778 6.506) 11.203 5.905 ( 23.498 -9.267 5.666) 25.887 6.177 ( 11.060 -15.534 9.805) 21.442 6.604 ( 3.242 -9.827 1.456) 10.449 6.823 ( 13.243 -0.650 0.143) 13.260 7.112 ( 21.002 -1.016 3.451) 21.308 7.372 ( 2.981 4.735 0.370) 5.608 8.045 ( -4.432 9.659 -3.010) 11.045 8.433 ( -7.962 2.108 0.937) 8.289 9.018 ( -14.046 18.835 -10.064) 25.560 9.598 ( -20.284 3.119 -9.196) 22.489 11.119 ( -4.573 -2.639 1.357) 5.452 11.637 ( -15.124 -1.238 -4.379) 15.794 13.243 ( -1.991 -4.665 2.572) 5.687 14.010 ( 1.438 5.621 -5.603) 8.066 14.222 ( 0.546 2.914 3.343) 4.468 14.499 ( 2.334 -1.788 2.450) 3.827 17.361 ( -0.811 1.239 1.518) 2.121 17.491 ( 1.077 1.532 0.470) 1.931 17.614 ( 0.189 -0.460 -0.592) 0.773 18.108 ( 4.177 -8.017 -10.457) 13.823 19.515 ( 0.197 7.292 8.258) 11.018 20.247 ( 0.137 -9.852 -1.559) 9.975 28.473 ( -3.214 0.286 0.644) 3.290 28.635 ( -0.033 -2.406 -0.839) 2.549 30.758 ( 11.845 -0.017 3.081) 12.240 31.792 ( -2.193 16.494 -5.695) 17.587 33.335 ( 5.010 -1.076 -0.261) 5.130 34.484 ( 7.992 -13.259 -23.787) 28.381 35.552 ( 1.873 -1.603 18.408) 18.572 36.019 ( -12.938 2.151 4.736) 13.944 ======================= Grid point 167 (55/215) ======================= q-point: ( 0.42 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.699 ( 17.699 -1.173 -1.965) 17.846 3.778 ( 2.494 1.134 1.187) 2.985 3.993 ( 12.598 -3.956 1.005) 13.243 4.686 ( -6.452 7.040 -9.769) 13.661 4.984 ( -7.119 1.457 13.234) 15.098 5.521 ( -3.315 7.518 12.408) 14.882 6.281 ( 5.190 -18.415 -1.639) 19.203 6.558 ( 15.195 -7.509 3.399) 17.286 6.648 ( -3.682 -3.771 4.854) 7.165 7.000 ( 4.524 -2.089 -1.532) 5.213 7.193 ( -8.896 14.947 -5.826) 18.344 7.449 ( 7.400 -1.199 4.349) 8.666 7.940 ( 0.477 3.565 -3.006) 4.687 8.306 ( -4.807 0.195 2.225) 5.300 8.567 ( -13.589 11.346 -8.451) 19.616 9.403 ( -3.515 0.462 -4.576) 5.789 11.102 ( -2.416 -3.964 0.414) 4.660 11.444 ( -10.801 -3.175 -3.405) 11.761 13.279 ( -0.146 -5.428 1.915) 5.757 13.983 ( 3.714 7.392 -5.903) 10.163 14.184 ( -2.992 0.459 3.037) 4.288 14.549 ( 2.967 0.502 1.791) 3.502 17.345 ( 0.694 1.643 2.163) 2.803 17.491 ( 0.055 0.386 0.665) 0.771 17.622 ( 0.332 -0.140 -0.346) 0.500 18.225 ( 1.866 -4.709 -10.517) 11.673 19.457 ( 0.970 5.441 8.650) 10.265 20.341 ( 0.599 -6.753 -2.162) 7.116 28.432 ( -1.969 -0.595 0.909) 2.248 28.673 ( 2.391 -1.038 -1.231) 2.883 30.860 ( 0.575 -0.005 2.451) 2.517 31.596 ( -5.272 9.183 -3.142) 11.045 33.422 ( 5.621 1.223 0.116) 5.753 34.703 ( 6.583 -6.084 -20.180) 22.082 35.623 ( 3.253 -0.573 8.152) 8.796 35.823 ( -7.453 -0.173 9.892) 12.387 ======================= Grid point 168 (56/215) ======================= q-point: (-0.50 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.751 ( -2.669 5.574 0.518) 6.202 3.875 ( 8.601 10.519 -0.401) 13.594 4.040 ( -3.097 6.357 1.251) 7.181 4.584 ( -0.834 -2.923 -9.481) 9.956 5.016 ( 7.907 -2.968 11.533) 14.295 5.453 ( 0.627 0.482 14.967) 14.988 6.360 ( -13.709 -0.684 -3.268) 14.110 6.642 ( -5.895 -12.030 0.199) 13.399 6.765 ( -21.869 14.128 -6.849) 26.922 6.795 ( 7.975 -4.025 3.458) 9.579 6.955 ( -15.108 3.311 -0.842) 15.489 7.272 ( -14.614 5.139 7.075) 17.030 7.957 ( 3.778 2.137 -3.527) 5.593 8.303 ( 1.956 -3.451 2.246) 4.558 8.533 ( 9.415 -3.239 -5.641) 11.444 9.457 ( 9.065 -2.715 -4.788) 10.605 11.115 ( -1.253 -3.873 0.073) 4.072 11.380 ( -4.832 -9.301 -2.848) 10.861 13.351 ( 2.372 -4.420 1.216) 5.162 13.976 ( 5.517 7.754 -6.164) 11.338 14.120 ( -5.517 -1.581 3.244) 6.593 14.582 ( 2.932 2.178 1.043) 3.798 17.349 ( 1.724 1.293 2.129) 3.030 17.485 ( -0.247 0.382 0.530) 0.698 17.628 ( 0.235 -0.101 -0.092) 0.272 18.264 ( -0.897 -1.171 -10.865) 10.965 19.432 ( 1.648 3.352 9.754) 10.445 20.406 ( 0.962 -3.068 -2.301) 3.954 28.426 ( 0.183 -1.261 1.077) 1.668 28.730 ( 4.398 0.691 -1.595) 4.729 30.773 ( -10.873 0.487 2.188) 11.102 31.429 ( -8.729 1.453 -2.299) 9.143 33.482 ( 5.685 5.056 0.405) 7.619 34.817 ( 4.347 1.676 -20.674) 21.193 35.580 ( -4.664 0.152 9.763) 10.821 35.884 ( 8.605 -4.136 8.230) 12.605 ======================= Grid point 169 (57/215) ======================= q-point: (-0.42 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.474 ( -16.440 15.382 1.428) 22.559 3.701 ( -5.110 24.920 2.798) 25.592 4.032 ( 8.297 2.983 -3.097) 9.345 4.669 ( 2.520 -6.267 -12.853) 14.520 5.220 ( 8.893 -4.705 9.915) 14.125 5.488 ( -4.383 -4.831 16.154) 17.421 5.932 ( -21.348 16.290 -7.221) 27.807 6.193 ( -37.200 -2.243 -0.337) 37.269 6.472 ( -23.619 13.699 4.190) 27.624 6.580 ( -14.710 -5.353 -4.820) 16.379 6.969 ( -2.487 -12.099 11.363) 16.784 7.143 ( 3.080 5.715 3.069) 7.181 8.003 ( 4.835 1.553 -2.527) 5.672 8.426 ( 6.248 -5.392 -0.945) 8.307 8.724 ( 4.392 -8.884 -1.847) 10.081 9.738 ( 18.486 -6.546 -9.107) 21.622 11.143 ( -0.174 -3.868 0.093) 3.873 11.484 ( 0.552 -16.307 -3.269) 16.641 13.437 ( 4.252 -1.208 0.754) 4.484 13.997 ( 3.272 3.563 -4.298) 6.471 14.053 ( -2.441 -0.620 1.334) 2.850 14.595 ( 2.360 3.490 0.360) 4.229 17.373 ( 2.113 0.164 1.336) 2.506 17.477 ( 0.357 1.124 0.152) 1.189 17.630 ( 0.002 0.013 0.087) 0.088 18.223 ( -3.418 2.056 -11.443) 12.118 19.440 ( 2.306 1.093 11.706) 11.981 20.435 ( 1.226 0.823 -2.004) 2.489 28.465 ( 2.785 -1.472 1.110) 3.340 28.795 ( 5.601 2.663 -1.825) 6.465 30.517 ( -19.280 1.060 2.466) 19.466 31.271 ( -14.588 -6.219 -2.945) 16.129 33.494 ( 4.907 9.043 0.556) 10.304 34.799 ( 0.287 8.544 -22.823) 24.371 35.573 ( 3.229 -2.010 15.901) 16.350 36.097 ( 10.920 -4.941 4.340) 12.748 ======================= Grid point 170 (58/215) ======================= q-point: (-0.33 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -21.773 22.267 3.868) 31.382 3.271 ( -9.695 33.316 4.885) 35.040 4.153 ( 9.923 3.413 -6.873) 12.544 4.569 ( -32.286 11.229 -6.720) 34.837 4.995 ( -12.254 3.055 -3.277) 13.048 5.534 ( -12.631 -8.434 2.566) 15.404 5.622 ( -7.214 1.847 3.460) 8.211 5.863 ( 0.107 -5.511 7.928) 9.656 5.982 ( -19.979 8.134 1.549) 21.627 6.303 ( -21.823 -1.077 0.095) 21.850 6.956 ( -6.369 -4.508 6.714) 10.293 7.203 ( 3.580 -1.862 10.535) 11.281 8.074 ( 3.916 -0.514 -3.703) 5.414 8.563 ( 1.993 -5.346 -5.375) 7.839 8.860 ( 0.118 -10.561 5.043) 11.704 10.148 ( 21.110 -9.390 -12.784) 26.405 11.195 ( 1.195 -4.799 0.253) 4.952 11.717 ( 3.126 -21.160 -4.628) 21.885 13.501 ( 4.808 3.299 0.604) 5.862 13.947 ( -7.570 -4.478 3.745) 9.560 14.128 ( 11.289 3.552 -8.060) 14.318 14.584 ( 1.482 4.592 -0.134) 4.827 17.404 ( 0.449 -1.135 -0.226) 1.242 17.481 ( 2.269 1.467 -0.226) 2.711 17.629 ( 0.495 0.762 0.221) 0.935 18.118 ( -4.923 4.577 -11.819) 13.596 19.485 ( 3.095 -1.469 14.686) 15.080 20.427 ( 1.334 4.659 -1.355) 5.032 28.546 ( 5.641 -0.919 0.944) 5.793 28.850 ( 5.751 4.442 -1.872) 7.504 30.152 ( -23.701 1.522 2.797) 23.914 31.074 ( -23.018 -13.138 -4.870) 26.947 33.449 ( 3.451 12.073 0.558) 12.569 34.671 ( -1.717 12.467 -23.647) 26.787 35.720 ( 11.997 -2.134 18.711) 22.329 36.324 ( 10.237 -5.270 2.969) 11.890 ======================= Grid point 171 (59/215) ======================= q-point: (-0.25 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -22.753 29.070 5.781) 37.366 2.685 ( -18.377 35.617 10.400) 41.405 3.598 ( -45.938 30.713 9.909) 56.140 4.279 ( 9.565 3.673 -7.756) 12.850 4.917 ( -15.833 -4.074 -10.537) 19.450 5.131 ( -11.493 4.201 -5.515) 13.422 5.515 ( -19.472 8.320 -6.396) 22.120 5.755 ( -4.538 -7.974 3.259) 9.737 5.997 ( -12.221 0.209 -1.773) 12.350 6.105 ( 7.903 -11.093 8.416) 16.010 6.940 ( -0.114 -6.272 10.436) 12.176 7.265 ( 0.333 -4.366 17.440) 17.982 8.116 ( -1.008 -1.738 -6.131) 6.452 8.563 ( -11.521 -8.745 -8.413) 16.733 8.945 ( -0.439 -4.951 8.819) 10.123 10.581 ( 18.788 -9.078 -12.578) 24.364 11.288 ( 2.458 -7.786 0.676) 8.193 12.007 ( 3.162 -23.424 -5.449) 24.257 13.523 ( 4.508 6.473 0.760) 7.924 13.879 ( -7.223 -5.613 3.876) 9.934 14.301 ( 13.642 3.764 -12.755) 19.052 14.552 ( 1.317 4.950 -1.089) 5.237 17.401 ( -2.184 -1.545 -1.420) 3.029 17.523 ( 3.509 0.536 -0.686) 3.615 17.635 ( 2.141 1.960 0.143) 2.907 17.981 ( -4.535 6.236 -11.532) 13.873 19.577 ( 4.514 -4.910 18.980) 20.117 20.380 ( 1.179 8.130 -0.507) 8.231 28.665 ( 9.003 0.507 0.446) 9.028 28.883 ( 4.937 5.595 -1.705) 7.654 29.745 ( -23.652 1.987 2.806) 23.901 30.784 ( -34.083 -17.751 -8.063) 39.265 33.356 ( 1.799 13.347 0.448) 13.475 34.495 ( -1.228 16.235 -26.017) 30.691 36.000 ( 19.018 -3.652 21.501) 28.937 36.528 ( 8.094 -5.131 3.156) 10.089 ======================= Grid point 172 (60/215) ======================= q-point: (-0.17 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -19.540 32.492 11.746) 39.692 1.941 ( -28.171 31.124 20.431) 46.688 2.594 ( -24.254 49.454 19.567) 58.454 4.384 ( 7.274 2.853 -5.943) 9.817 4.580 ( -20.828 -1.927 -3.210) 21.162 5.041 ( -7.623 1.503 -13.062) 15.198 5.202 ( -5.712 5.131 -12.915) 15.024 5.647 ( -9.735 -2.957 4.793) 11.246 5.940 ( -0.425 -1.378 0.607) 1.564 6.251 ( 0.648 -3.053 -8.962) 9.490 7.139 ( 9.676 -12.960 20.692) 26.263 7.329 ( -0.180 -11.004 22.314) 24.880 8.038 ( -13.344 -2.799 -11.983) 18.152 8.395 ( -18.855 -8.544 -1.234) 20.737 8.938 ( -1.270 3.264 5.907) 6.867 10.844 ( 8.189 5.405 -15.826) 18.621 11.477 ( 4.524 -19.408 6.566) 20.982 12.302 ( 2.378 -23.844 -4.381) 24.360 13.512 ( 3.367 7.769 1.310) 8.568 13.841 ( -4.723 -6.050 2.539) 8.084 14.405 ( 4.777 7.613 -8.384) 12.291 14.570 ( 7.588 4.408 -16.254) 18.472 17.385 ( -2.000 -2.737 -0.572) 3.438 17.558 ( 1.923 1.480 -0.896) 2.587 17.653 ( 2.121 2.233 -0.671) 3.152 17.861 ( -0.985 7.113 -11.136) 13.250 19.750 ( 7.023 -11.226 24.521) 27.868 20.295 ( 0.688 10.638 0.368) 10.666 28.828 ( 13.217 2.582 -1.077) 13.510 28.891 ( 3.492 5.906 -1.181) 6.962 29.380 ( -17.836 2.223 2.488) 18.145 30.318 ( -44.768 -13.695 -10.461) 47.971 33.237 ( 0.552 12.327 0.358) 12.345 34.282 ( -0.217 22.707 -30.734) 38.213 36.409 ( 20.847 -11.540 21.947) 32.395 36.691 ( 6.119 -5.034 5.727) 9.777 ======================= Grid point 173 (61/215) ======================= q-point: (-0.08 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 0.000 24.738 30.664) 39.399 1.290 ( 0.000 33.687 28.128) 43.886 1.818 ( 0.000 56.021 29.028) 63.095 4.397 ( -0.000 -0.784 -0.639) 1.012 4.425 ( 0.000 2.724 -3.094) 4.122 4.910 ( 0.000 2.214 -14.833) 14.997 5.159 ( 0.000 1.966 -18.051) 18.158 5.592 ( -0.000 -1.974 3.000) 3.591 5.974 ( -0.000 -6.666 10.417) 12.367 6.256 ( 0.000 0.147 -15.661) 15.662 7.286 ( -0.000 -3.328 24.460) 24.685 7.658 ( -0.000 -35.566 26.363) 44.272 7.805 ( 0.000 1.965 -11.352) 11.521 8.231 ( 0.000 2.274 7.003) 7.363 8.859 ( 0.000 7.719 0.617) 7.743 10.722 ( 0.000 27.081 -24.444) 36.481 11.801 ( -0.000 -31.357 16.280) 35.331 12.571 ( -0.000 -22.187 -2.697) 22.350 13.460 ( 0.000 8.102 2.314) 8.426 13.864 ( -0.000 -5.747 1.117) 5.855 14.357 ( 0.000 6.808 -2.883) 7.393 14.569 ( 0.000 13.184 -32.139) 34.738 17.403 ( -0.000 -3.254 0.739) 3.337 17.553 ( 0.000 2.204 -0.574) 2.277 17.640 ( 0.000 2.370 -1.833) 2.996 17.786 ( 0.000 9.398 -10.986) 14.457 20.012 ( -0.000 -19.525 23.713) 30.717 20.191 ( 0.000 8.262 2.575) 8.654 28.863 ( 0.000 4.996 -0.938) 5.083 28.975 ( 0.000 5.098 -6.340) 8.135 29.183 ( 0.000 1.935 2.459) 3.129 29.831 ( 0.000 2.232 -3.022) 3.757 33.126 ( 0.000 8.986 0.392) 8.994 33.989 ( 0.000 33.602 -33.866) 47.707 36.709 ( -0.000 -7.732 4.912) 9.160 36.930 ( -0.000 -23.307 19.850) 30.615 ======================= Grid point 176 (62/215) ======================= q-point: ( 0.17 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 37.375 -0.000 6.905) 38.007 2.758 ( 37.717 -0.000 1.084) 37.733 3.904 ( -6.980 0.000 -7.931) 10.565 4.872 ( 51.038 -0.000 10.305) 52.068 4.975 ( -2.096 0.000 -9.066) 9.306 5.725 ( 6.942 -0.000 -1.279) 7.059 5.747 ( 7.136 -0.000 5.265) 8.868 6.153 ( -8.248 0.000 11.233) 13.936 6.241 ( -3.592 0.000 -2.604) 4.436 6.618 ( 15.521 -0.000 1.247) 15.571 6.746 ( 15.542 -0.000 10.021) 18.493 7.298 ( 4.239 -0.000 9.183) 10.114 8.386 ( -6.986 0.000 -6.124) 9.290 8.532 ( -0.925 0.000 0.405) 1.010 9.501 ( -6.850 0.000 -8.291) 10.755 10.240 ( -29.107 0.000 -28.992) 41.082 11.281 ( -16.730 0.000 9.172) 19.080 11.744 ( -14.669 0.000 -2.141) 14.824 13.229 ( -2.328 0.000 2.541) 3.446 14.078 ( 0.932 -0.000 -4.717) 4.809 14.337 ( -2.525 0.000 4.381) 5.057 14.341 ( 7.698 -0.000 3.576) 8.488 17.406 ( -1.837 0.000 0.201) 1.848 17.535 ( -0.571 0.000 0.397) 0.696 17.620 ( 2.075 -0.000 -0.803) 2.224 17.773 ( 7.809 -0.000 -10.134) 12.794 19.768 ( 0.719 -0.000 5.912) 5.955 19.936 ( -1.246 0.000 0.859) 1.514 28.552 ( -5.781 0.000 -0.060) 5.781 28.584 ( 0.439 -0.000 -0.064) 0.444 30.491 ( 20.778 -0.000 3.696) 21.104 32.326 ( -9.120 0.000 -14.709) 17.308 33.299 ( 1.840 -0.000 -1.915) 2.656 33.829 ( 22.522 -0.000 -28.162) 36.061 35.531 ( -4.428 0.000 32.026) 32.331 36.276 ( -13.223 0.000 2.583) 13.473 ======================= Grid point 177 (63/215) ======================= q-point: ( 0.25 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 35.442 -1.869 1.495) 35.522 3.363 ( 33.132 -4.808 0.059) 33.479 3.820 ( -3.665 -0.617 -4.480) 5.821 4.927 ( -1.694 1.986 -7.426) 7.872 5.407 ( -11.763 6.666 3.179) 13.889 5.695 ( 21.993 -2.891 7.967) 23.570 5.881 ( 7.102 -9.394 10.979) 16.101 6.005 ( -3.150 13.140 6.507) 14.997 6.335 ( 4.620 -14.706 4.360) 16.019 6.819 ( 9.728 -0.019 0.868) 9.767 7.102 ( 23.204 -0.110 3.222) 23.427 7.400 ( 6.845 -0.255 -0.282) 6.856 8.236 ( -6.952 5.963 -4.184) 10.069 8.461 ( -7.772 0.550 0.713) 7.824 9.366 ( -7.113 10.455 -8.846) 15.432 9.654 ( -34.763 2.001 -16.293) 38.443 11.080 ( -8.284 -0.595 4.288) 9.347 11.536 ( -16.083 -5.554 -2.460) 17.192 13.195 ( -1.850 -0.521 3.287) 3.808 14.099 ( 3.017 2.317 -5.491) 6.680 14.274 ( -3.245 1.648 3.683) 5.178 14.466 ( 6.075 -1.089 2.906) 6.821 17.387 ( 0.092 0.946 0.762) 1.219 17.517 ( -1.122 0.211 0.507) 1.249 17.632 ( 1.499 2.222 -1.000) 2.861 17.938 ( 6.890 -6.341 -8.746) 12.813 19.713 ( 1.448 10.651 4.559) 11.676 20.007 ( 0.152 -11.753 0.103) 11.755 28.468 ( -4.672 -0.464 0.486) 4.720 28.606 ( 1.829 -0.494 -0.529) 1.967 30.759 ( 11.943 0.077 3.436) 12.427 32.097 ( -10.930 9.370 -9.087) 17.025 33.350 ( 6.660 1.860 -1.150) 7.010 34.214 ( 16.540 -9.505 -21.659) 28.863 35.521 ( 2.036 -0.936 21.144) 21.262 36.051 ( -13.889 0.801 3.103) 14.254 ======================= Grid point 178 (64/215) ======================= q-point: ( 0.33 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( 26.112 1.559 -2.596) 26.287 3.796 ( 6.296 0.599 -0.318) 6.332 3.894 ( 21.349 -4.966 -0.239) 21.920 4.850 ( -7.141 7.052 -8.229) 12.978 5.019 ( -15.221 1.816 13.613) 20.501 5.740 ( -5.511 12.391 8.011) 15.750 5.951 ( 0.109 -11.633 3.636) 12.188 6.323 ( 16.992 -12.868 5.195) 21.939 6.562 ( 10.540 -5.093 4.577) 12.569 6.951 ( 5.283 -1.991 -0.600) 5.677 7.360 ( 2.567 1.539 -1.587) 3.387 7.472 ( 3.722 2.961 -3.645) 5.993 8.062 ( -4.424 6.976 -1.971) 8.492 8.309 ( -8.826 -0.095 1.685) 8.986 8.855 ( -26.464 13.784 -10.336) 31.578 9.404 ( -4.021 -0.517 -4.897) 6.358 11.010 ( -4.063 -3.898 1.616) 5.857 11.340 ( -15.309 -5.968 -2.416) 16.608 13.192 ( -0.052 -2.381 3.553) 4.277 14.126 ( 5.251 5.261 -6.118) 9.627 14.195 ( -5.290 0.486 3.363) 6.288 14.560 ( 5.269 0.488 1.950) 5.639 17.386 ( 1.630 1.992 1.326) 2.895 17.499 ( -0.838 0.043 0.398) 0.929 17.629 ( 0.438 1.190 -0.613) 1.409 18.099 ( 4.237 -6.356 -8.271) 11.259 19.626 ( 1.832 10.339 5.090) 11.669 20.144 ( 1.108 -11.442 -1.007) 11.539 28.415 ( -2.612 -0.843 0.871) 2.879 28.654 ( 3.416 -0.633 -1.069) 3.634 30.862 ( 0.739 0.106 2.784) 2.882 31.812 ( -11.819 9.390 -5.783) 16.165 33.467 ( 10.222 2.816 -0.236) 10.605 34.542 ( 12.676 -8.037 -16.793) 22.522 35.602 ( 5.895 -1.163 11.607) 13.070 35.825 ( -12.446 0.334 5.365) 13.557 ======================= Grid point 179 (65/215) ======================= q-point: ( 0.42 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.814 ( 3.659 1.623 2.221) 4.578 4.065 ( 13.995 5.870 -4.252) 15.761 4.167 ( 12.437 5.741 0.264) 13.700 4.558 ( -13.227 0.174 -0.814) 13.253 4.995 ( 6.565 0.822 7.651) 10.115 5.535 ( -5.913 6.640 12.559) 15.387 6.094 ( -1.909 -16.303 -2.806) 16.652 6.503 ( -4.332 -5.663 4.625) 8.498 6.776 ( 6.785 1.159 1.220) 6.991 6.979 ( -13.912 0.830 -1.616) 14.030 7.055 ( -18.342 8.999 -10.115) 22.798 7.383 ( -9.185 5.876 3.607) 11.485 8.002 ( 2.650 2.250 -3.237) 4.750 8.230 ( -3.260 -3.587 4.025) 6.300 8.536 ( -1.241 2.933 -5.363) 6.237 9.417 ( 5.283 -1.087 -3.370) 6.359 11.012 ( -2.068 -5.184 0.397) 5.595 11.192 ( -11.584 -8.253 -1.946) 14.355 13.247 ( 2.434 -4.265 3.107) 5.811 14.094 ( -7.207 -0.660 3.434) 8.010 14.158 ( 7.328 7.860 -6.499) 12.559 14.626 ( 4.501 1.866 0.896) 4.954 17.392 ( 2.035 2.617 1.474) 3.628 17.491 ( -0.003 0.177 0.234) 0.294 17.623 ( -0.415 -0.214 -0.138) 0.487 18.198 ( 0.856 -4.503 -8.378) 9.550 19.559 ( 2.218 8.578 6.366) 10.910 20.274 ( 1.518 -9.047 -1.663) 9.323 28.404 ( 0.229 -0.845 1.108) 1.412 28.729 ( 5.055 -0.576 -1.616) 5.338 30.782 ( -10.217 0.314 2.270) 10.471 31.524 ( -13.701 6.162 -3.846) 15.507 33.601 ( 11.656 6.059 0.413) 13.143 34.790 ( 10.133 -3.792 -15.480) 18.886 35.591 ( -8.073 0.904 6.595) 10.464 35.796 ( 7.406 -4.021 7.681) 11.403 ======================= Grid point 180 (66/215) ======================= q-point: (-0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.742 ( -9.252 10.055 2.991) 13.987 4.087 ( 5.272 2.123 0.496) 5.705 4.201 ( 6.265 20.716 -3.150) 21.870 4.534 ( 2.831 -5.873 -5.050) 8.247 5.133 ( 8.495 -2.277 7.855) 11.792 5.432 ( -4.407 -0.920 15.878) 16.504 6.118 ( -26.810 -6.724 -5.906) 28.264 6.210 ( -33.045 4.295 -9.292) 34.594 6.413 ( -11.929 -0.787 -1.163) 12.011 6.720 ( -18.244 6.104 0.238) 19.239 6.898 ( -1.676 7.126 8.747) 11.406 7.261 ( 2.048 4.974 3.281) 6.300 8.043 ( 3.735 1.573 -3.612) 5.429 8.289 ( 3.288 -7.986 2.770) 9.070 8.583 ( 1.205 -4.696 -3.233) 5.827 9.619 ( 15.551 -4.707 -5.900) 17.286 11.041 ( -1.323 -5.322 -0.035) 5.484 11.161 ( -6.096 -13.525 -1.499) 14.911 13.354 ( 4.375 -5.050 2.255) 7.052 13.981 ( -8.344 -1.800 3.795) 9.341 14.200 ( 9.422 9.440 -6.856) 14.997 14.666 ( 3.652 3.095 -0.169) 4.790 17.396 ( 1.353 1.953 0.923) 2.549 17.493 ( 0.410 0.342 0.047) 0.536 17.625 ( 0.189 -0.582 0.272) 0.669 18.219 ( -2.583 -2.108 -8.841) 9.449 19.518 ( 2.504 6.316 8.380) 10.788 20.379 ( 1.649 -5.918 -1.807) 6.404 28.442 ( 3.515 -0.677 1.219) 3.782 28.823 ( 6.211 0.196 -2.058) 6.546 30.539 ( -18.489 0.965 2.253) 18.651 31.237 ( -17.070 1.802 -3.046) 17.433 33.699 ( 10.884 10.235 0.713) 14.957 34.921 ( 4.556 3.066 -17.712) 18.543 35.511 ( -1.236 -3.415 12.280) 12.805 35.992 ( 10.189 -4.725 3.558) 11.781 ======================= Grid point 181 (67/215) ======================= q-point: (-0.42 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( -15.065 17.153 4.716) 23.311 3.929 ( -7.611 27.820 -0.609) 28.849 4.217 ( 10.126 2.342 -4.799) 11.448 4.652 ( 2.761 -2.062 -9.035) 9.669 5.103 ( -39.003 4.774 3.375) 39.439 5.303 ( 6.206 -6.619 7.515) 11.781 5.578 ( -22.315 -9.538 11.476) 26.845 5.945 ( -1.964 12.861 -11.583) 17.419 6.178 ( -23.597 -0.119 -5.733) 24.284 6.311 ( -17.166 8.865 4.169) 19.764 6.803 ( -7.352 -3.666 17.330) 19.178 7.270 ( 4.265 5.150 1.581) 6.871 8.084 ( 2.901 0.834 -4.166) 5.144 8.455 ( 4.363 -6.109 -0.386) 7.517 8.640 ( -1.813 -10.398 2.305) 10.803 9.975 ( 19.645 -7.052 -10.956) 23.573 11.083 ( -0.494 -5.574 0.312) 5.605 11.276 ( -1.704 -19.575 -1.985) 19.749 13.479 ( 4.791 -4.041 1.437) 6.430 13.869 ( -8.453 -2.966 4.332) 9.951 14.272 ( 12.095 9.133 -8.123) 17.196 14.678 ( 2.639 4.255 -1.153) 5.138 17.390 ( -1.241 -0.238 0.005) 1.264 17.500 ( 1.493 0.495 -0.214) 1.587 17.644 ( 2.058 0.505 0.389) 2.155 18.164 ( -5.282 0.087 -9.377) 10.763 19.507 ( 2.646 3.666 11.335) 12.203 20.450 ( 1.592 -2.446 -1.497) 3.280 28.531 ( 6.910 -0.345 1.167) 7.017 28.917 ( 6.457 1.795 -2.263) 7.074 30.187 ( -22.701 1.757 2.560) 22.913 30.928 ( -21.675 -2.045 -3.163) 22.000 33.728 ( 8.481 14.055 0.745) 16.433 34.877 ( -1.549 7.650 -16.246) 18.024 35.633 ( 8.956 -6.012 12.322) 16.376 36.207 ( 9.589 -5.457 1.799) 11.179 ======================= Grid point 182 (68/215) ======================= q-point: (-0.33 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( -15.851 25.351 4.612) 30.252 3.329 ( -31.496 25.450 7.825) 41.242 4.244 ( -12.880 23.766 -3.996) 27.325 4.374 ( 3.007 8.598 -5.355) 10.567 4.813 ( -9.967 -5.825 -10.690) 15.734 5.242 ( -13.410 5.594 2.337) 14.717 5.508 ( -1.065 -15.322 1.937) 15.481 5.711 ( -23.295 8.597 -4.926) 25.315 5.947 ( 1.462 -0.322 15.118) 15.192 6.033 ( -4.704 3.256 -4.975) 7.581 6.747 ( -7.532 -8.896 14.624) 18.702 7.271 ( 1.509 3.532 6.877) 7.877 8.103 ( -0.867 0.052 -7.148) 7.200 8.450 ( -8.197 -2.367 -2.188) 8.808 8.806 ( 5.578 -10.499 8.670) 14.714 10.370 ( 18.006 -9.444 -13.352) 24.325 11.145 ( 0.490 -6.345 0.869) 6.423 11.498 ( 0.178 -23.723 -3.399) 23.966 13.578 ( 3.709 -1.160 0.944) 3.999 13.777 ( -7.312 -3.978 4.464) 9.446 14.403 ( 14.166 6.591 -11.522) 19.413 14.662 ( 1.659 5.263 -2.204) 5.942 17.356 ( -4.549 -2.543 -0.324) 5.221 17.538 ( 3.863 0.878 -0.732) 4.029 17.676 ( 3.159 1.677 0.057) 3.576 18.058 ( -6.403 1.526 -9.548) 11.597 19.528 ( 2.644 0.429 15.369) 15.601 20.480 ( 1.326 1.205 -0.872) 1.993 28.671 ( 10.165 0.124 0.851) 10.201 28.987 ( 5.833 3.861 -2.119) 7.309 29.795 ( -22.425 2.604 2.755) 22.744 30.576 ( -25.980 -3.859 -3.778) 26.536 33.676 ( 5.275 16.641 0.641) 17.469 34.752 ( -2.209 9.290 -15.105) 17.870 35.887 ( 13.202 -7.034 11.145) 18.654 36.406 ( 7.399 -6.017 1.520) 9.657 ======================= Grid point 183 (69/215) ======================= q-point: (-0.25 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -25.980 27.893 5.942) 38.579 2.560 ( -21.642 28.404 16.960) 39.532 3.694 ( -2.964 50.362 4.559) 50.654 4.423 ( 0.789 0.176 -8.909) 8.946 4.576 ( -13.505 2.358 -0.653) 13.725 5.098 ( -4.080 3.957 -9.753) 11.288 5.325 ( -10.353 5.727 -12.069) 16.901 5.551 ( -8.570 -6.686 0.695) 10.892 5.921 ( 0.335 -2.628 0.991) 2.829 6.148 ( 6.563 -4.638 4.160) 9.049 6.783 ( -1.949 -15.414 18.508) 24.164 7.250 ( -0.921 0.857 12.914) 12.975 8.017 ( -9.567 1.037 -12.064) 15.432 8.334 ( -5.754 -0.084 3.426) 6.697 8.960 ( 3.549 -3.343 8.411) 9.722 10.729 ( 11.574 -11.674 -10.917) 19.734 11.228 ( 0.736 -7.272 0.456) 7.323 11.765 ( 0.349 -25.835 -4.328) 26.197 13.620 ( 2.119 2.083 0.839) 3.088 13.725 ( -4.565 -4.787 3.685) 7.571 14.545 ( 7.772 5.667 -11.498) 14.991 14.642 ( 4.383 4.040 -10.045) 11.681 17.314 ( -4.207 -3.887 0.554) 5.754 17.591 ( 3.762 1.630 -1.198) 4.272 17.703 ( 2.475 2.226 -0.553) 3.374 17.945 ( -4.684 1.750 -9.392) 10.640 19.586 ( 2.383 -4.065 20.368) 20.906 20.466 ( 0.786 4.887 -0.175) 4.953 28.852 ( 12.196 0.117 -0.004) 12.197 29.021 ( 4.624 5.885 -1.580) 7.649 29.439 ( -16.891 3.290 2.608) 17.405 30.180 ( -25.567 -1.394 -4.064) 25.926 33.555 ( 2.165 17.367 0.524) 17.509 34.618 ( -1.055 11.225 -17.145) 20.520 36.185 ( 11.667 -10.229 11.136) 19.099 36.566 ( 4.206 -6.426 2.343) 8.029 ======================= Grid point 184 (70/215) ======================= q-point: (-0.17 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 0.000 27.289 17.259) 32.289 2.046 ( 0.000 36.167 17.782) 40.302 3.076 ( 0.000 60.066 11.307) 61.121 4.370 ( -0.000 -1.832 -4.580) 4.933 4.493 ( 0.000 3.700 -1.665) 4.057 4.982 ( 0.000 4.592 -11.408) 12.298 5.226 ( 0.000 4.243 -14.788) 15.385 5.524 ( -0.000 -4.562 2.024) 4.991 5.941 ( 0.000 0.271 -3.269) 3.280 6.235 ( -0.000 -2.514 -4.694) 5.325 7.017 ( -0.000 -26.224 24.121) 35.630 7.234 ( -0.000 -0.857 17.497) 17.518 7.867 ( 0.000 3.942 -11.930) 12.564 8.279 ( 0.000 1.937 5.788) 6.104 8.986 ( 0.000 2.968 6.195) 6.870 10.928 ( -0.000 -5.382 -9.105) 10.577 11.333 ( -0.000 -12.626 1.164) 12.680 12.046 ( -0.000 -26.539 -4.076) 26.851 13.602 ( 0.000 4.717 0.995) 4.821 13.741 ( -0.000 -5.498 2.563) 6.066 14.512 ( 0.000 7.425 -3.764) 8.325 14.686 ( 0.000 1.830 -25.438) 25.504 17.322 ( -0.000 -4.319 1.398) 4.540 17.603 ( 0.000 2.427 -1.057) 2.647 17.697 ( 0.000 2.739 -1.254) 3.012 17.891 ( 0.000 1.849 -9.948) 10.118 19.685 ( -0.000 -9.933 24.879) 26.788 20.402 ( 0.000 8.294 0.268) 8.298 28.996 ( 0.000 5.984 -1.759) 6.237 29.001 ( 0.000 0.009 -1.351) 1.351 29.240 ( 0.000 3.322 2.518) 4.168 29.897 ( 0.000 3.920 -3.042) 4.962 33.394 ( 0.000 15.867 0.463) 15.874 34.474 ( 0.000 15.072 -22.674) 27.226 36.427 ( -0.000 -14.237 12.037) 18.644 36.674 ( -0.000 -7.199 4.673) 8.582 ======================= Grid point 189 (71/215) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.741 ( 28.216 -0.000 -1.599) 28.262 3.803 ( 7.139 -0.000 -1.263) 7.250 3.819 ( 25.562 -0.000 -2.339) 25.669 4.927 ( -2.061 0.000 -7.979) 8.241 5.049 ( -24.303 0.000 13.414) 27.759 5.821 ( -5.162 0.000 7.310) 8.949 5.958 ( -8.121 0.000 7.913) 11.339 6.110 ( 18.519 -0.000 2.893) 18.744 6.486 ( 22.528 -0.000 5.283) 23.139 6.929 ( 4.280 -0.000 -0.122) 4.282 7.367 ( 5.190 -0.000 0.664) 5.233 7.504 ( 4.891 -0.000 -6.585) 8.203 8.154 ( -6.245 0.000 -2.898) 6.884 8.303 ( -11.623 0.000 2.078) 11.808 9.029 ( -35.663 0.000 -12.279) 37.717 9.390 ( -0.843 0.000 -4.630) 4.706 10.966 ( -4.894 0.000 2.691) 5.585 11.259 ( -14.764 0.000 -1.527) 14.842 13.171 ( -0.485 0.000 4.045) 4.074 14.184 ( 5.724 -0.000 -6.246) 8.472 14.200 ( -6.216 0.000 3.575) 7.171 14.566 ( 6.186 -0.000 2.038) 6.513 17.413 ( 2.280 -0.000 0.882) 2.444 17.493 ( -1.305 0.000 0.275) 1.333 17.654 ( -0.570 0.000 -0.866) 1.036 18.016 ( 6.160 -0.000 -7.053) 9.364 19.848 ( 3.851 -0.000 2.490) 4.586 19.910 ( -0.356 0.000 0.447) 0.572 28.405 ( -2.500 0.000 0.860) 2.644 28.647 ( 3.461 -0.000 -1.008) 3.605 30.863 ( 0.747 -0.000 2.917) 3.011 31.921 ( -15.469 0.000 -7.163) 17.047 33.508 ( 11.711 -0.000 -0.771) 11.736 34.439 ( 16.028 -0.000 -14.603) 21.683 35.588 ( 6.552 -0.000 12.807) 14.386 35.830 ( -13.749 0.000 3.591) 14.210 ======================= Grid point 190 (72/215) ======================= q-point: ( 0.33 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.835 ( 5.379 0.466 1.911) 5.727 4.126 ( 12.115 0.896 -2.983) 12.509 4.265 ( 28.602 2.801 -4.236) 29.049 4.572 ( -24.219 0.661 6.582) 25.106 5.027 ( 7.455 1.425 3.415) 8.322 5.638 ( -14.575 0.334 4.479) 15.251 5.898 ( 0.645 -0.209 7.376) 7.407 6.343 ( 4.294 -7.239 2.842) 8.884 6.821 ( 11.442 2.191 0.573) 11.664 6.954 ( -3.600 -1.896 0.085) 4.069 7.161 ( -23.863 1.703 -6.078) 24.684 7.508 ( -3.087 4.288 -7.467) 9.147 8.059 ( -2.466 3.134 -0.704) 4.049 8.150 ( -8.438 -3.824 5.674) 10.863 8.610 ( -11.920 2.683 -6.283) 13.739 9.405 ( 3.510 -0.177 -2.523) 4.326 10.926 ( -1.788 -2.343 0.851) 3.068 11.056 ( -12.912 -3.820 -1.186) 13.517 13.189 ( 2.073 -1.288 4.533) 5.148 14.085 ( -7.978 -0.197 3.689) 8.792 14.277 ( 7.795 3.042 -6.856) 10.817 14.655 ( 5.374 0.780 1.046) 5.530 17.447 ( 2.714 2.171 0.742) 3.553 17.487 ( 0.258 -0.726 0.049) 0.772 17.624 ( -2.400 0.239 -0.433) 2.450 18.109 ( 2.891 -2.902 -6.195) 7.426 19.781 ( 2.308 12.060 2.613) 12.554 20.044 ( 2.119 -12.303 -0.095) 12.485 28.392 ( 0.754 -0.304 1.062) 1.338 28.717 ( 4.982 -0.369 -1.547) 5.229 30.786 ( -9.899 0.129 2.413) 10.190 31.632 ( -17.753 3.093 -5.392) 18.810 33.713 ( 15.472 3.612 -0.165) 15.889 34.700 ( 13.731 -3.293 -10.700) 17.716 35.612 ( -11.541 0.847 4.915) 12.573 35.729 ( 8.587 -1.953 6.500) 10.945 ======================= Grid point 191 (73/215) ======================= q-point: (-0.58 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.902 ( 0.121 5.376 3.474) 6.402 4.109 ( -5.265 -0.294 6.760) 8.573 4.373 ( -2.282 -2.761 -4.290) 5.589 4.603 ( 20.510 10.750 -4.508) 23.591 5.131 ( 5.948 1.699 3.747) 7.232 5.423 ( -11.062 -1.357 10.189) 15.100 5.924 ( -6.628 -6.432 -2.937) 9.692 6.183 ( -41.399 -2.714 1.560) 41.518 6.542 ( -9.267 5.449 -5.228) 11.954 6.782 ( -13.325 1.841 1.707) 13.559 7.118 ( 2.825 9.589 -4.548) 10.982 7.361 ( -2.013 5.205 2.113) 5.967 8.050 ( 1.720 -2.607 -3.188) 4.463 8.108 ( -3.719 -6.554 6.348) 9.853 8.519 ( -2.407 -1.593 -3.760) 4.740 9.544 ( 12.727 -2.339 -3.102) 13.307 10.929 ( -8.095 -6.599 -0.927) 10.485 10.948 ( -1.662 -4.614 -0.155) 4.906 13.265 ( 4.461 -2.962 4.321) 6.881 13.953 ( -8.969 -0.854 4.092) 9.896 14.369 ( 9.483 5.931 -7.245) 13.326 14.721 ( 4.547 1.998 -0.008) 4.966 17.449 ( 0.513 2.813 0.216) 2.868 17.496 ( -0.158 0.049 -0.318) 0.359 17.604 ( 0.154 -1.357 0.426) 1.431 18.157 ( -1.087 -3.076 -6.071) 6.892 19.699 ( 2.371 10.502 4.150) 11.539 20.201 ( 2.257 -10.534 -0.907) 10.811 28.435 ( 4.387 -0.048 1.131) 4.531 28.815 ( 6.336 -0.697 -2.032) 6.690 30.555 ( -17.793 0.564 2.295) 17.949 31.297 ( -19.833 2.904 -4.064) 20.452 33.905 ( 15.642 8.524 0.134) 17.814 34.931 ( 10.419 -1.664 -11.262) 15.433 35.450 ( -7.647 -1.972 8.657) 11.718 35.910 ( 10.222 -2.830 2.489) 10.895 ======================= Grid point 192 (74/215) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.661 ( -12.980 9.020 8.122) 17.771 4.224 ( 11.027 -1.655 -1.454) 11.245 4.332 ( -7.067 6.016 -8.715) 12.731 4.663 ( 1.941 9.298 3.423) 10.097 5.132 ( -14.626 0.236 -0.091) 14.628 5.302 ( -21.056 2.901 4.578) 21.742 5.371 ( -16.852 -9.320 7.502) 20.666 5.967 ( -9.607 -7.214 -9.716) 15.451 6.343 ( -6.149 15.291 -6.736) 17.804 6.494 ( -16.233 5.048 4.697) 17.636 6.901 ( -8.996 11.565 14.419) 20.556 7.373 ( 4.345 4.198 -1.635) 6.259 8.097 ( 1.726 0.366 -4.823) 5.136 8.214 ( 2.128 -16.097 5.033) 16.999 8.496 ( -4.675 -3.557 -2.980) 6.587 9.849 ( 18.974 -4.926 -7.187) 20.879 10.919 ( -4.968 -12.549 -0.814) 13.521 10.987 ( -0.074 -4.461 -0.008) 4.461 13.385 ( 5.334 -4.138 3.516) 7.612 13.821 ( -8.823 -1.645 4.699) 10.131 14.461 ( 11.046 7.826 -7.828) 15.638 14.759 ( 3.593 3.313 -1.142) 5.019 17.390 ( -5.171 0.121 0.113) 5.174 17.510 ( 2.540 0.613 -0.481) 2.657 17.646 ( 3.134 -0.349 0.299) 3.168 18.138 ( -4.556 -2.108 -6.280) 8.039 19.637 ( 2.345 8.456 6.398) 10.860 20.334 ( 1.952 -8.162 -1.189) 8.476 28.533 ( 7.885 0.407 1.123) 7.974 28.929 ( 7.001 -0.329 -2.329) 7.385 30.221 ( -21.744 1.383 2.512) 21.932 30.936 ( -21.837 1.769 -3.350) 22.163 34.022 ( 12.850 13.269 0.137) 18.472 35.006 ( 0.515 4.772 -11.148) 12.137 35.477 ( 4.685 -8.357 9.981) 13.835 36.106 ( 9.502 -3.894 0.550) 10.283 ======================= Grid point 193 (75/215) ======================= q-point: (-0.42 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( -11.452 15.005 6.739) 20.043 3.764 ( -42.383 16.137 2.278) 45.408 4.383 ( 7.247 1.423 -7.750) 10.705 4.610 ( -14.676 -5.239 -6.369) 16.835 4.783 ( 4.347 7.354 -3.041) 9.068 5.213 ( -5.853 -6.784 7.560) 11.723 5.333 ( -3.149 0.598 7.460) 8.119 5.798 ( -18.132 0.455 -10.630) 21.023 6.094 ( -1.333 13.267 -3.923) 13.899 6.191 ( -10.310 9.906 8.832) 16.805 6.681 ( -6.967 4.054 17.606) 19.363 7.362 ( 0.104 4.516 1.410) 4.732 8.108 ( -0.243 0.321 -7.021) 7.033 8.422 ( -3.014 -1.658 -0.139) 3.442 8.482 ( 2.268 -18.935 3.946) 19.475 10.208 ( 17.150 -6.030 -12.245) 21.919 11.019 ( 0.042 -9.462 -0.173) 9.464 11.051 ( -1.201 -13.867 0.119) 13.919 13.510 ( 4.361 -4.228 2.506) 6.571 13.710 ( -7.328 -2.410 5.142) 9.270 14.564 ( 11.919 7.812 -9.402) 17.073 14.766 ( 2.535 4.592 -2.460) 5.793 17.301 ( -7.128 -2.557 0.655) 7.602 17.559 ( 4.580 1.157 -1.038) 4.837 17.699 ( 3.374 0.502 -0.185) 3.416 18.061 ( -6.642 -0.905 -6.515) 9.347 19.597 ( 2.028 5.964 9.526) 11.420 20.433 ( 1.452 -5.395 -1.021) 5.679 28.677 ( 10.596 0.618 1.021) 10.663 29.039 ( 6.827 1.084 -2.270) 7.276 29.849 ( -21.228 2.434 2.715) 21.539 30.561 ( -22.523 1.295 -3.147) 22.779 34.036 ( 8.509 16.904 0.070) 18.925 34.915 ( -2.597 6.618 -7.801) 10.554 35.706 ( 9.595 -10.084 6.770) 15.478 36.289 ( 7.242 -4.853 -0.042) 8.717 ======================= Grid point 194 (76/215) ======================= q-point: (-0.33 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( -33.552 19.384 2.880) 38.856 3.101 ( -10.468 21.473 13.507) 27.443 4.379 ( -9.573 -0.053 -11.232) 14.758 4.449 ( 4.485 9.048 -6.055) 11.775 4.799 ( 5.380 20.808 -0.246) 21.494 5.192 ( -0.654 2.772 -4.367) 5.214 5.289 ( -7.447 -9.370 -3.306) 12.417 5.446 ( -14.917 2.090 -2.256) 15.231 5.932 ( -3.055 8.485 10.719) 14.008 6.102 ( 2.221 -0.795 6.036) 6.481 6.598 ( -2.504 -2.118 14.689) 15.050 7.300 ( -2.091 3.075 5.405) 6.561 8.064 ( -3.676 2.764 -10.934) 11.861 8.344 ( -3.628 0.857 1.575) 4.047 8.751 ( 4.123 -16.609 7.196) 18.565 10.503 ( 9.791 -8.410 -14.664) 19.535 11.093 ( 0.929 -5.571 2.119) 6.032 11.251 ( -0.178 -22.552 -2.085) 22.649 13.602 ( 2.059 -3.038 1.777) 4.077 13.644 ( -4.179 -3.039 4.806) 7.057 14.664 ( 8.270 5.952 -10.615) 14.714 14.748 ( 2.389 5.559 -6.113) 8.601 17.228 ( -5.572 -4.052 1.633) 7.081 17.626 ( 4.940 1.589 -1.573) 5.422 17.738 ( 2.261 1.001 -0.618) 2.549 17.958 ( -6.201 -0.231 -6.687) 9.123 19.577 ( 1.313 2.912 13.507) 13.880 20.492 ( 0.798 -2.259 -0.595) 2.468 28.850 ( 10.642 0.012 0.753) 10.668 29.120 ( 5.988 3.342 -1.796) 7.089 29.512 ( -15.992 3.447 2.611) 16.567 30.202 ( -18.321 2.574 -3.163) 18.769 33.944 ( 3.884 19.051 0.130) 19.443 34.806 ( -1.539 7.345 -7.846) 10.857 35.962 ( 7.523 -11.203 5.759) 14.672 36.436 ( 3.905 -5.697 0.180) 6.909 ======================= Grid point 195 (77/215) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 0.000 22.335 9.228) 24.167 2.752 ( 0.000 29.631 13.239) 32.454 4.235 ( 0.000 43.668 -1.842) 43.707 4.320 ( -0.000 -2.913 -8.991) 9.451 4.604 ( 0.000 11.330 3.415) 11.833 5.096 ( 0.000 5.785 -7.310) 9.322 5.288 ( -0.000 -1.667 -19.654) 19.724 5.401 ( -0.000 -6.731 1.684) 6.938 5.893 ( -0.000 -2.674 6.284) 6.830 6.158 ( -0.000 -4.194 8.233) 9.240 6.634 ( -0.000 -8.599 18.302) 20.222 7.252 ( 0.000 2.081 8.878) 9.119 7.969 ( 0.000 5.519 -12.377) 13.552 8.308 ( 0.000 0.942 3.788) 3.904 8.927 ( -0.000 -9.647 8.210) 12.667 10.692 ( -0.000 -11.880 -13.224) 17.777 11.166 ( -0.000 -6.291 2.030) 6.610 11.499 ( -0.000 -24.668 -3.506) 24.916 13.641 ( -0.000 -3.926 4.040) 5.633 13.644 ( -0.000 -0.741 1.249) 1.452 14.658 ( 0.000 6.271 -4.540) 7.742 14.736 ( 0.000 3.808 -17.279) 17.693 17.226 ( -0.000 -4.616 2.191) 5.110 17.653 ( 0.000 2.310 -1.568) 2.792 17.744 ( 0.000 1.588 -0.849) 1.800 17.902 ( -0.000 -0.308 -7.447) 7.454 19.577 ( -0.000 -0.803 17.739) 17.757 20.504 ( 0.000 1.233 -0.207) 1.250 28.968 ( -0.000 -1.473 0.201) 1.487 29.137 ( 0.000 5.700 -1.517) 5.899 29.316 ( 0.000 3.788 2.605) 4.598 29.989 ( 0.000 4.615 -3.082) 5.550 33.770 ( 0.000 19.318 0.339) 19.321 34.711 ( 0.000 8.599 -10.877) 13.866 36.155 ( -0.000 -12.237 6.673) 13.938 36.531 ( -0.000 -6.393 1.023) 6.474 ======================= Grid point 202 (78/215) ======================= q-point: ( 0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.965 ( 10.117 -0.000 2.363) 10.390 4.094 ( -19.106 0.000 12.181) 22.659 4.340 ( 0.246 -0.000 -4.083) 4.090 4.724 ( 24.366 -0.000 -6.561) 25.234 5.168 ( 6.715 -0.000 2.553) 7.184 5.377 ( -16.504 0.000 1.520) 16.574 5.891 ( -1.520 0.000 6.412) 6.590 6.136 ( -41.430 0.000 2.054) 41.481 6.593 ( -7.218 0.000 -5.212) 8.903 6.804 ( -13.182 0.000 1.992) 13.332 7.218 ( 13.397 -0.000 -6.642) 14.953 7.451 ( -8.120 0.000 -6.490) 10.395 7.952 ( -9.450 0.000 13.586) 16.550 8.077 ( 0.978 -0.000 -3.589) 3.720 8.505 ( -4.491 0.000 -3.737) 5.843 9.520 ( 11.371 -0.000 -2.120) 11.567 10.851 ( -10.062 0.000 -0.661) 10.083 10.905 ( 0.437 -0.000 -0.427) 0.611 13.234 ( 4.354 -0.000 5.238) 6.811 13.944 ( -9.165 0.000 4.173) 10.070 14.433 ( 9.379 -0.000 -7.453) 11.979 14.743 ( 4.917 -0.000 0.221) 4.922 17.490 ( 1.506 -0.000 -0.337) 1.544 17.495 ( -1.891 0.000 -0.631) 1.994 17.581 ( -0.038 0.000 0.760) 0.760 18.119 ( -0.116 0.000 -4.901) 4.902 19.908 ( 0.156 -0.000 0.695) 0.712 19.991 ( 4.640 -0.000 1.219) 4.798 28.436 ( 4.829 -0.000 1.053) 4.942 28.806 ( 6.259 -0.000 -1.980) 6.565 30.562 ( -17.524 0.000 2.338) 17.680 31.331 ( -21.084 0.000 -4.559) 21.571 34.007 ( 17.508 -0.000 -0.586) 17.518 34.900 ( 12.900 -0.000 -7.316) 14.830 35.431 ( -10.451 0.000 6.376) 12.242 35.879 ( 10.375 -0.000 2.053) 10.576 ======================= Grid point 203 (79/215) ======================= q-point: (-0.58 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( -16.829 1.742 15.339) 22.837 4.166 ( 12.470 -2.050 0.621) 12.653 4.360 ( -0.168 0.149 -6.000) 6.004 4.912 ( -8.907 9.846 -6.707) 14.875 5.130 ( -19.502 -2.926 -5.203) 20.395 5.201 ( -8.259 -3.826 4.113) 9.988 5.356 ( -23.858 1.385 8.451) 25.348 5.859 ( -5.063 -2.485 -1.215) 5.770 6.554 ( -15.328 1.280 6.745) 16.795 6.596 ( 3.718 6.807 -5.525) 9.523 7.184 ( -10.270 13.216 1.525) 16.807 7.412 ( 4.716 -1.883 -5.494) 7.481 7.888 ( -5.931 -11.490 11.280) 17.159 8.102 ( 1.663 0.072 -5.118) 5.382 8.447 ( -3.459 -1.246 -2.949) 4.713 9.773 ( 18.163 -1.989 -4.283) 18.767 10.735 ( -7.056 -4.454 -0.393) 8.354 10.929 ( 1.357 -1.337 -1.237) 2.271 13.323 ( 5.476 -1.512 5.314) 7.779 13.798 ( -8.980 -0.516 4.884) 10.235 14.576 ( 10.144 2.818 -7.992) 13.218 14.811 ( 4.324 1.413 -0.610) 4.589 17.392 ( -8.394 0.070 0.100) 8.395 17.526 ( 3.352 0.623 -0.772) 3.496 17.633 ( 3.985 -0.547 0.216) 4.029 18.098 ( -3.461 -1.228 -4.372) 5.710 19.842 ( 1.377 9.872 2.224) 10.213 20.132 ( 2.972 -9.844 0.060) 10.283 28.543 ( 8.558 0.376 0.957) 8.619 28.917 ( 7.162 -0.502 -2.241) 7.522 30.242 ( -21.146 0.527 2.534) 21.304 30.971 ( -22.532 1.042 -3.757) 22.867 34.245 ( 15.403 6.425 -1.440) 16.751 35.082 ( 7.855 2.357 -7.222) 10.928 35.317 ( -3.849 -5.469 8.943) 11.167 36.050 ( 9.643 -1.372 -0.101) 9.740 ======================= Grid point 204 (80/215) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.527 ( -10.807 2.699 14.482) 18.270 4.016 ( -47.571 7.887 -3.489) 48.346 4.377 ( 7.561 -1.841 -7.477) 10.792 4.495 ( -5.465 -2.044 1.571) 6.043 4.776 ( -15.831 -4.574 -3.270) 16.800 5.203 ( -4.188 0.587 2.883) 5.118 5.349 ( 7.078 2.327 5.789) 9.435 5.782 ( -5.857 -1.057 -6.660) 8.932 6.323 ( -10.569 3.008 13.182) 17.162 6.470 ( -2.213 19.443 -8.759) 21.439 6.885 ( -7.945 12.086 11.160) 18.269 7.440 ( -1.300 2.403 -1.409) 3.074 8.009 ( -0.771 -21.247 5.083) 21.860 8.123 ( 0.963 -0.437 -5.866) 5.961 8.414 ( -2.286 -0.511 -3.066) 3.858 10.106 ( 17.747 -3.788 -8.417) 20.004 10.724 ( -3.804 -10.323 -0.097) 11.002 10.968 ( 1.253 -1.831 -0.961) 2.418 13.432 ( 4.792 -2.807 4.746) 7.305 13.674 ( -7.328 -1.108 5.601) 9.290 14.698 ( 9.511 4.391 -8.556) 13.525 14.851 ( 3.789 3.287 -1.908) 5.367 17.256 ( -9.028 -1.575 1.302) 9.257 17.584 ( 4.864 1.037 -1.304) 5.142 17.699 ( 3.450 -0.310 -0.488) 3.498 18.035 ( -5.854 -1.258 -4.229) 7.331 19.763 ( 1.458 9.278 4.277) 10.320 20.273 ( 1.884 -9.197 -0.531) 9.403 28.695 ( 10.925 0.938 0.890) 11.001 29.042 ( 7.474 -0.469 -2.197) 7.804 29.892 ( -20.423 1.458 2.705) 20.653 30.597 ( -21.658 1.617 -3.272) 21.964 34.355 ( 10.509 12.326 -2.023) 16.324 35.049 ( -1.859 6.642 -1.497) 7.058 35.471 ( 7.029 -11.827 4.132) 14.366 36.210 ( 7.368 -2.583 -0.851) 7.854 ======================= Grid point 205 (81/215) ======================= q-point: (-0.42 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( -35.500 11.418 0.040) 37.292 3.407 ( -7.201 6.977 16.296) 19.133 4.330 ( -11.486 -2.470 -13.923) 18.217 4.502 ( 1.958 -0.622 -2.012) 2.875 4.812 ( 5.589 -10.440 -3.444) 12.333 5.139 ( -4.530 -3.803 2.289) 6.342 5.360 ( 0.937 6.123 2.254) 6.592 5.683 ( -2.193 13.886 -2.410) 14.263 6.126 ( -7.660 3.649 14.669) 16.946 6.220 ( -2.439 16.907 -1.656) 17.162 6.685 ( -2.211 10.180 10.797) 15.004 7.360 ( -3.990 2.328 1.827) 4.968 8.111 ( 0.091 1.280 -8.006) 8.108 8.293 ( 2.168 -24.135 3.403) 24.470 8.374 ( -1.975 0.911 -1.776) 2.808 10.378 ( 9.992 -4.051 -13.091) 16.960 10.830 ( -0.948 -16.630 0.302) 16.660 11.008 ( 0.901 -2.608 0.513) 2.806 13.527 ( 2.683 -3.505 3.818) 5.837 13.593 ( -4.258 -1.725 5.823) 7.417 14.777 ( 5.255 4.147 -7.636) 10.155 14.866 ( 3.871 5.429 -5.629) 8.726 17.152 ( -6.339 -3.060 2.507) 7.472 17.656 ( 5.367 1.278 -1.864) 5.824 17.746 ( 1.999 -0.074 -0.930) 2.206 17.945 ( -6.211 -0.851 -4.266) 7.583 19.694 ( 0.972 7.703 6.990) 10.447 20.384 ( 0.904 -7.555 -0.668) 7.638 28.859 ( 9.787 0.821 0.898) 9.862 29.161 ( 7.112 0.652 -1.814) 7.368 29.576 ( -15.419 2.512 2.595) 15.836 30.263 ( -15.886 2.727 -3.127) 16.419 34.327 ( 5.062 16.430 -1.769) 17.283 34.948 ( -1.501 6.628 -0.876) 6.852 35.709 ( 5.485 -12.757 2.826) 14.171 36.335 ( 3.969 -3.699 -0.895) 5.498 ======================= Grid point 206 (82/215) ======================= q-point: (-0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 0.000 15.231 3.892) 15.721 3.242 ( 0.000 15.783 14.066) 21.141 4.252 ( -0.000 -3.285 -12.318) 12.749 4.526 ( 0.000 0.735 -3.275) 3.357 5.002 ( -0.000 -11.095 -10.955) 15.592 5.150 ( -0.000 -3.664 -0.053) 3.664 5.318 ( 0.000 2.041 -0.671) 2.148 5.361 ( 0.000 32.642 0.630) 32.648 6.032 ( 0.000 14.595 7.524) 16.420 6.079 ( -0.000 -3.115 15.567) 15.875 6.599 ( 0.000 3.987 9.218) 10.043 7.300 ( 0.000 2.129 3.636) 4.214 8.078 ( 0.000 4.175 -10.662) 11.450 8.332 ( 0.000 1.721 -0.086) 1.723 8.575 ( -0.000 -22.783 5.591) 23.459 10.507 ( -0.000 -5.717 -15.242) 16.279 11.022 ( -0.000 -20.293 -0.573) 20.301 11.052 ( -0.000 -4.191 2.092) 4.685 13.575 ( -0.000 -2.314 5.252) 5.739 13.590 ( -0.000 -3.593 2.920) 4.629 14.772 ( 0.000 4.428 -5.136) 6.781 14.846 ( 0.000 6.041 -11.050) 12.593 17.134 ( -0.000 -3.941 2.981) 4.942 17.697 ( 0.000 1.833 -2.025) 2.731 17.762 ( 0.000 0.191 -0.976) 0.994 17.889 ( -0.000 -0.809 -4.914) 4.980 19.632 ( 0.000 5.540 10.276) 11.675 20.459 ( -0.000 -5.241 -0.595) 5.274 28.949 ( -0.000 -0.175 0.877) 0.895 29.224 ( 0.000 2.543 -1.772) 3.099 29.392 ( 0.000 3.237 2.702) 4.216 30.083 ( 0.000 4.076 -3.139) 5.144 34.180 ( 0.000 18.868 -0.834) 18.887 34.866 ( 0.000 6.615 -3.197) 7.347 35.893 ( -0.000 -12.836 3.324) 13.259 36.412 ( -0.000 -4.759 -0.577) 4.794 ======================= Grid point 215 (83/215) ======================= q-point: ( 0.42 -0.58 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.537 ( -11.814 0.000 19.843) 23.094 4.099 ( -48.584 0.000 -5.873) 48.938 4.353 ( 8.974 -0.000 -5.823) 10.698 4.491 ( -6.799 0.000 1.317) 6.925 4.714 ( -17.001 0.000 -5.739) 17.943 5.197 ( -8.614 0.000 5.013) 9.967 5.387 ( 11.242 -0.000 2.505) 11.518 5.770 ( -3.299 0.000 -4.295) 5.415 6.349 ( -10.746 0.000 13.984) 17.636 6.731 ( 5.866 -0.000 -3.688) 6.928 7.057 ( -13.472 0.000 -4.222) 14.118 7.448 ( 0.491 -0.000 -1.864) 1.928 7.717 ( -4.994 0.000 12.067) 13.060 8.125 ( 1.029 -0.000 -5.224) 5.324 8.408 ( -0.648 0.000 -4.148) 4.198 10.061 ( 17.760 -0.000 -6.223) 18.819 10.615 ( -4.672 0.000 -0.408) 4.690 10.950 ( 1.698 -0.000 -2.145) 2.736 13.401 ( 4.893 -0.000 5.825) 7.607 13.662 ( -7.324 0.000 5.759) 9.317 14.743 ( 8.337 -0.000 -8.395) 11.832 14.889 ( 4.557 -0.000 -1.583) 4.824 17.239 ( -9.733 0.000 1.519) 9.851 17.596 ( 4.834 -0.000 -1.389) 5.030 17.694 ( 3.542 -0.000 -0.630) 3.598 18.020 ( -5.365 0.000 -3.445) 6.376 19.915 ( 0.208 -0.000 1.255) 1.272 20.121 ( 3.080 -0.000 0.769) 3.174 28.707 ( 11.111 -0.000 0.767) 11.137 29.034 ( 7.638 -0.000 -2.117) 7.926 29.907 ( -20.150 0.000 2.708) 20.332 30.615 ( -21.557 0.000 -3.367) 21.819 34.497 ( 10.789 -0.000 -4.167) 11.566 35.198 ( -3.497 0.000 11.816) 12.323 35.256 ( 8.547 -0.000 -6.542) 10.763 36.182 ( 7.439 -0.000 -1.058) 7.514 ======================= Grid point 217 (84/215) ======================= q-point: (-0.50 0.42 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( -33.855 3.542 -0.667) 34.046 3.441 ( -9.854 -1.075 21.720) 23.875 4.292 ( -12.503 -1.017 -14.151) 18.911 4.495 ( 2.411 0.372 -1.942) 3.118 4.669 ( 5.795 -3.226 -3.034) 7.293 5.064 ( -7.913 -2.216 4.839) 9.536 5.452 ( -0.532 2.331 0.187) 2.398 5.813 ( 8.849 1.298 2.115) 9.190 6.183 ( -10.292 0.968 16.554) 19.517 6.655 ( -1.967 20.998 -8.049) 22.574 6.889 ( -2.915 3.489 2.505) 5.191 7.392 ( -5.124 0.729 0.428) 5.193 7.792 ( 1.026 -17.675 8.196) 19.510 8.134 ( 0.320 0.260 -5.236) 5.252 8.404 ( 0.035 0.992 -6.082) 6.162 10.310 ( 10.719 -2.328 -8.471) 13.859 10.589 ( -2.117 -5.538 -0.624) 5.962 10.976 ( 1.053 -0.658 -2.136) 2.470 13.473 ( 2.940 -1.382 5.785) 6.635 13.570 ( -4.271 -0.527 6.298) 7.628 14.833 ( 3.693 1.300 -6.790) 7.838 14.954 ( 4.586 2.381 -4.849) 7.086 17.106 ( -6.686 -1.139 2.996) 7.414 17.677 ( 5.312 0.569 -1.968) 5.694 17.741 ( 1.974 -0.260 -1.201) 2.325 17.930 ( -5.834 -0.439 -2.983) 6.567 19.870 ( 0.432 7.607 2.454) 8.005 20.207 ( 1.348 -7.646 0.185) 7.766 28.878 ( 9.482 0.651 0.745) 9.534 29.161 ( 7.687 -0.269 -1.720) 7.881 29.613 ( -15.199 0.907 2.609) 15.448 30.305 ( -15.157 1.086 -3.188) 15.527 34.584 ( 4.841 6.702 -5.532) 9.948 35.109 ( -0.430 8.477 8.474) 11.994 35.441 ( 4.489 -11.513 -1.878) 12.499 36.283 ( 4.035 -1.263 -1.225) 4.402 ======================= Grid point 218 (85/215) ======================= q-point: (-0.42 0.42 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( 0.000 7.690 0.481) 7.705 3.398 ( 0.000 0.302 20.862) 20.864 4.191 ( -0.000 -2.250 -14.065) 14.244 4.516 ( -0.000 -0.105 -2.630) 2.632 4.780 ( -0.000 -6.491 -6.419) 9.129 5.033 ( -0.000 -5.033 4.898) 7.023 5.404 ( 0.000 3.848 -1.571) 4.156 5.894 ( 0.000 12.891 3.740) 13.422 6.031 ( -0.000 -1.485 18.324) 18.384 6.398 ( 0.000 21.089 -5.803) 21.873 6.790 ( 0.000 11.285 6.643) 13.095 7.335 ( 0.000 1.100 1.321) 1.719 8.042 ( -0.000 -25.371 5.337) 25.926 8.130 ( 0.000 0.992 -6.367) 6.444 8.382 ( 0.000 2.552 -5.742) 6.284 10.427 ( -0.000 -2.763 -11.992) 12.306 10.666 ( -0.000 -12.200 0.563) 12.213 10.996 ( -0.000 -1.444 -0.864) 1.683 13.520 ( -0.000 -2.590 5.316) 5.914 13.541 ( -0.000 -1.024 6.032) 6.118 14.843 ( 0.000 2.272 -5.519) 5.968 14.961 ( 0.000 4.346 -7.580) 8.737 17.067 ( -0.000 -2.283 3.580) 4.246 17.728 ( 0.000 1.017 -2.342) 2.553 17.759 ( -0.000 -0.265 -1.335) 1.361 17.872 ( -0.000 -0.702 -2.990) 3.072 19.787 ( 0.000 8.532 4.493) 9.643 20.305 ( -0.000 -8.574 -0.333) 8.580 28.957 ( 0.000 0.715 0.861) 1.119 29.249 ( 0.000 0.186 -1.804) 1.813 29.447 ( 0.000 1.850 2.779) 3.338 30.153 ( 0.000 2.387 -3.191) 3.985 34.522 ( 0.000 12.340 -4.310) 13.071 35.014 ( 0.000 8.191 4.605) 9.397 35.613 ( -0.000 -13.445 0.434) 13.452 36.335 ( -0.000 -2.480 -1.149) 2.733 ======================= Grid point 230 (86/215) ======================= q-point: (-0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( -0.000 -0.000 -0.764) 0.764 3.375 ( -0.000 -0.000 25.063) 25.063 4.166 ( -0.000 -0.000 -14.534) 14.534 4.526 ( -0.000 -0.000 -3.132) 3.132 4.714 ( 0.000 0.000 -5.674) 5.674 4.977 ( -0.000 -0.000 6.111) 6.111 5.447 ( -0.000 -0.000 -1.297) 1.297 5.993 ( -0.000 -0.000 4.430) 4.430 6.015 ( -0.000 -0.000 19.004) 19.004 6.807 ( -0.000 -0.000 -7.988) 7.988 6.838 ( 0.000 0.000 -2.444) 2.444 7.346 ( -0.000 -0.000 0.680) 0.680 7.704 ( 0.000 0.000 12.036) 12.036 8.137 ( -0.000 -0.000 -4.744) 4.744 8.413 ( -0.000 -0.000 -7.819) 7.819 10.383 ( -0.000 -0.000 -6.724) 6.724 10.546 ( 0.000 0.000 -2.545) 2.545 10.982 ( -0.000 -0.000 -2.772) 2.772 13.492 ( -0.000 -0.000 6.478) 6.478 13.530 ( -0.000 -0.000 6.300) 6.300 14.867 ( -0.000 -0.000 -5.653) 5.653 15.010 ( -0.000 -0.000 -6.499) 6.499 17.043 ( -0.000 -0.000 3.805) 3.805 17.739 ( -0.000 -0.000 -2.456) 2.456 17.756 ( -0.000 -0.000 -1.467) 1.467 17.864 ( -0.000 -0.000 -2.339) 2.339 19.919 ( -0.000 -0.000 1.562) 1.562 20.173 ( 0.000 0.000 0.665) 0.665 28.967 ( -0.000 -0.000 0.747) 0.747 29.248 ( -0.000 -0.000 -1.755) 1.755 29.467 ( -0.000 -0.000 2.808) 2.808 30.178 ( -0.000 -0.000 -3.212) 3.212 34.655 ( -0.000 -0.000 -7.018) 7.018 35.169 ( -0.000 -0.000 15.291) 15.291 35.402 ( -0.000 -0.000 -7.153) 7.153 36.309 ( -0.000 -0.000 -1.259) 1.259 ======================= Grid point 298 (87/215) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 215 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 0.000 0.000 41.439) 41.439 1.696 ( 0.000 0.000 43.652) 43.652 2.108 ( 0.000 0.000 48.949) 48.949 4.275 ( 0.000 0.000 -8.553) 8.553 4.437 ( 0.000 0.000 2.522) 2.522 4.527 ( 0.000 0.000 -21.723) 21.723 4.587 ( 0.000 0.000 -31.838) 31.838 5.346 ( 0.000 0.000 -24.559) 24.559 6.257 ( 0.000 0.000 14.058) 14.058 6.480 ( 0.000 0.000 17.307) 17.307 7.542 ( 0.000 0.000 -13.752) 13.752 7.790 ( 0.000 0.000 20.888) 20.888 8.304 ( 0.000 0.000 -22.992) 22.992 8.324 ( 0.000 0.000 4.840) 4.840 8.788 ( 0.000 0.000 16.139) 16.139 9.875 ( 0.000 0.000 -7.026) 7.026 12.476 ( 0.000 0.000 4.605) 4.605 12.825 ( 0.000 0.000 -4.082) 4.082 13.456 ( 0.000 0.000 7.105) 7.105 13.954 ( 0.000 0.000 1.123) 1.123 14.047 ( 0.000 0.000 -5.965) 5.965 14.207 ( 0.000 0.000 -3.966) 3.966 17.456 ( 0.000 0.000 0.688) 0.688 17.514 ( 0.000 0.000 -0.541) 0.541 17.558 ( 0.000 0.000 -0.428) 0.428 17.607 ( 0.000 0.000 -1.236) 1.236 20.078 ( 0.000 0.000 4.403) 4.403 20.420 ( 0.000 0.000 -2.734) 2.734 28.805 ( 0.000 0.000 -0.134) 0.134 28.810 ( 0.000 0.000 -0.246) 0.246 29.231 ( 0.000 0.000 4.627) 4.627 29.724 ( 0.000 0.000 -5.445) 5.445 33.055 ( 0.000 0.000 1.503) 1.503 33.290 ( 0.000 0.000 -3.446) 3.446 36.865 ( 0.000 0.000 5.775) 5.775 37.338 ( 0.000 0.000 -4.051) 4.051 ======================= Grid point 299 (88/215) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 5.054 -7.858 36.010) 37.202 1.830 ( 9.518 -20.542 35.875) 42.422 2.656 ( 45.533 -9.758 40.921) 61.992 4.125 ( -12.694 -1.063 -15.928) 20.395 4.575 ( 18.010 2.163 -2.845) 18.361 4.607 ( 0.976 -1.630 -29.133) 29.195 4.773 ( 20.092 -4.128 -12.718) 24.135 5.465 ( 13.322 -0.941 -22.910) 26.519 6.292 ( 3.253 0.037 16.050) 16.376 6.371 ( -3.431 4.827 19.800) 20.667 7.734 ( -2.279 6.239 15.087) 16.485 7.829 ( 21.493 2.114 -13.027) 25.222 7.982 ( -15.714 14.069 10.484) 23.554 8.330 ( 0.965 -3.853 -13.701) 14.265 9.047 ( 20.039 6.561 -0.519) 21.092 9.979 ( -5.107 -25.489 -14.644) 29.837 12.251 ( -12.244 23.410 6.310) 27.162 12.596 ( -15.079 9.480 -3.393) 18.132 13.437 ( -3.713 -3.980 6.426) 8.421 13.992 ( 5.268 1.376 1.107) 5.556 14.058 ( -0.760 -1.391 -6.341) 6.536 14.320 ( 8.292 -2.383 -4.045) 9.529 17.408 ( -3.711 0.534 0.036) 3.750 17.512 ( -1.077 -0.742 -1.410) 1.923 17.582 ( 0.189 -4.871 -0.859) 4.949 17.609 ( -1.390 -1.642 -0.643) 2.246 20.098 ( -2.102 -5.871 3.786) 7.295 20.265 ( -12.046 3.869 4.210) 13.334 28.744 ( -6.876 -2.135 -0.017) 7.200 28.781 ( -4.176 -2.493 -0.723) 4.917 29.416 ( 19.252 -0.854 4.776) 19.854 30.197 ( 48.762 3.927 -20.662) 53.105 33.072 ( -0.371 -4.405 1.452) 4.653 33.366 ( -1.077 -15.304 -6.844) 16.799 36.807 ( -5.190 3.344 5.529) 8.287 37.083 ( -21.396 8.164 6.467) 23.796 ======================= Grid point 300 (89/215) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 21.904 -17.477 19.530) 34.157 2.288 ( 13.810 -27.346 25.178) 39.654 3.575 ( 52.549 -9.764 28.256) 60.457 3.954 ( -10.584 -2.722 -18.109) 21.151 4.631 ( 0.174 -1.757 -26.304) 26.363 4.938 ( 27.553 0.739 -3.602) 27.798 5.192 ( 24.682 -6.056 -7.885) 26.609 5.744 ( 18.305 -0.411 -19.145) 26.491 6.256 ( 1.019 7.878 21.165) 22.606 6.430 ( 7.665 -2.355 19.132) 20.745 7.426 ( -17.387 11.276 16.122) 26.256 7.747 ( -4.475 4.627 16.746) 17.941 8.025 ( 7.796 8.211 -13.928) 17.949 8.448 ( 7.854 -1.823 -12.317) 14.721 9.160 ( 6.235 10.063 -3.552) 12.360 10.118 ( -11.002 -17.927 -25.263) 32.873 11.730 ( -14.863 24.853 7.570) 29.932 12.257 ( -13.825 10.603 -6.719) 18.674 13.424 ( -4.032 -5.159 5.202) 8.363 14.017 ( -3.390 -1.125 -8.411) 9.138 14.093 ( 8.080 5.018 4.492) 10.519 14.441 ( 4.097 -1.515 -2.141) 4.865 17.372 ( -0.305 -0.504 -1.829) 1.922 17.490 ( -2.476 -0.508 -1.886) 3.154 17.603 ( -0.962 -1.558 0.261) 1.850 17.660 ( 1.127 -7.695 -3.227) 8.420 19.998 ( -10.201 3.233 10.524) 15.009 20.181 ( -2.340 -8.510 0.990) 8.881 28.656 ( -5.719 -1.030 0.603) 5.842 28.746 ( -4.396 -3.698 -1.546) 5.949 29.797 ( 25.483 -0.934 5.848) 26.162 30.868 ( 42.891 15.712 -25.460) 52.295 33.141 ( 0.565 -7.985 0.948) 8.060 33.560 ( -0.446 -23.147 -14.127) 27.121 36.558 ( -18.506 9.541 14.389) 25.309 36.713 ( -12.531 2.976 7.059) 14.687 ======================= Grid point 301 (90/215) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 24.664 -18.846 9.490) 32.459 2.810 ( 16.011 -26.088 15.447) 34.287 3.849 ( -6.968 -4.488 -15.362) 17.455 4.393 ( 28.495 -0.536 -0.687) 28.509 4.735 ( 17.934 -8.097 -6.490) 20.720 5.403 ( 28.068 -0.787 -3.348) 28.278 5.683 ( 25.794 -9.478 -2.274) 27.575 5.994 ( 12.024 3.084 -9.976) 15.925 6.183 ( 2.958 10.117 20.190) 22.775 6.594 ( 9.632 -0.600 21.501) 23.567 7.117 ( -9.558 1.971 12.733) 16.042 7.621 ( -4.230 7.098 14.048) 16.298 7.997 ( -0.393 5.913 -11.665) 13.084 8.533 ( 2.514 2.998 -7.672) 8.612 9.080 ( -4.408 7.083 -3.749) 9.147 9.938 ( -20.149 1.186 -25.139) 32.239 11.361 ( -7.381 10.752 4.542) 13.810 11.935 ( -11.338 11.430 -8.779) 18.337 13.414 ( -4.222 -5.377 4.027) 7.934 13.945 ( -4.533 1.896 -8.207) 9.565 14.164 ( 7.337 5.441 5.816) 10.829 14.502 ( 1.544 -1.967 -0.639) 2.581 17.400 ( 2.541 -0.496 -1.784) 3.144 17.450 ( -2.646 -0.286 -0.434) 2.697 17.611 ( -0.267 -1.422 0.184) 1.459 17.773 ( 2.400 -7.988 -7.073) 10.937 19.826 ( -6.887 2.947 12.036) 14.177 20.242 ( -2.017 -8.812 -1.570) 9.175 28.582 ( -3.871 0.452 1.101) 4.050 28.714 ( -4.722 -4.160 -1.868) 6.565 30.219 ( 25.129 -0.395 6.568) 25.976 31.235 ( 26.378 18.263 -17.051) 36.333 33.243 ( 0.786 -8.610 0.819) 8.685 33.817 ( 1.979 -22.271 -19.907) 29.936 36.188 ( -15.032 6.672 17.486) 24.005 36.496 ( -11.192 3.674 4.318) 12.546 ======================= Grid point 302 (91/215) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( 16.348 -16.476 4.600) 23.661 3.358 ( 20.882 -19.734 8.040) 29.836 3.820 ( -3.320 -5.320 -9.408) 11.306 4.497 ( 1.388 4.591 -16.663) 17.339 5.300 ( 22.739 -8.167 4.015) 24.492 5.740 ( 10.223 0.114 4.389) 11.126 5.962 ( 2.410 9.044 13.697) 16.589 6.196 ( 22.736 -9.446 4.327) 24.997 6.375 ( 25.888 -1.948 4.499) 26.348 6.703 ( 5.587 4.159 10.655) 12.730 7.097 ( 2.523 -5.299 7.464) 9.495 7.449 ( -5.406 10.980 9.450) 15.463 7.915 ( -3.014 3.634 -8.771) 9.961 8.483 ( -2.508 4.233 -3.227) 5.884 8.858 ( -13.272 8.831 -6.453) 17.198 9.579 ( -17.188 4.059 -19.669) 26.435 11.216 ( -3.349 2.856 1.948) 4.813 11.660 ( -8.674 9.819 -7.982) 15.342 13.402 ( -3.955 -4.835 2.941) 6.904 13.849 ( -3.420 3.350 -7.422) 8.832 14.214 ( 5.344 4.356 5.563) 8.858 14.538 ( 0.495 -1.827 -0.235) 1.907 17.416 ( -1.190 0.431 1.797) 2.198 17.452 ( 2.365 -0.931 -0.183) 2.548 17.619 ( -0.464 -1.106 -0.155) 1.209 17.896 ( 3.071 -6.367 -10.501) 12.658 19.711 ( -4.227 2.066 12.164) 13.042 20.295 ( -1.552 -6.619 -3.476) 7.636 28.522 ( -2.497 1.206 1.456) 3.132 28.683 ( -4.128 -3.612 -2.050) 5.856 30.588 ( 19.855 0.168 6.308) 20.834 31.382 ( 14.034 13.619 -9.634) 21.801 33.337 ( 0.340 -7.229 1.066) 7.316 34.070 ( 3.449 -16.388 -22.230) 27.833 35.942 ( -8.450 4.358 14.920) 17.692 36.280 ( -10.531 3.467 4.450) 11.947 ======================= Grid point 303 (92/215) ======================= q-point: ( 0.42 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.507 ( 10.524 -10.846 -0.230) 15.114 3.764 ( 3.351 -6.057 -0.290) 6.928 3.899 ( 10.376 -8.699 1.126) 13.587 4.456 ( -0.096 4.078 -10.499) 11.263 5.392 ( -6.257 3.905 14.817) 16.552 5.788 ( -0.042 1.127 16.182) 16.221 6.190 ( 20.811 -9.524 2.931) 23.073 6.565 ( 10.170 -3.664 4.437) 11.685 6.719 ( 7.096 0.811 -0.168) 7.144 6.836 ( 15.420 -3.106 -1.871) 15.841 7.116 ( -6.721 11.197 0.806) 13.085 7.346 ( 12.139 -0.041 9.274) 15.276 7.839 ( -2.758 1.407 -7.035) 7.686 8.407 ( -2.187 4.189 -1.953) 5.114 8.494 ( -18.749 5.861 -7.433) 21.003 9.346 ( -8.550 1.285 -11.741) 14.581 11.164 ( -1.373 0.524 0.836) 1.691 11.462 ( -5.114 5.945 -6.063) 9.913 13.389 ( -2.623 -2.973 2.149) 4.510 13.777 ( -1.489 2.438 -7.239) 7.783 14.245 ( 2.833 2.441 5.054) 6.287 14.557 ( 0.070 -1.041 -0.096) 1.047 17.400 ( -0.548 0.063 3.751) 3.791 17.493 ( 1.791 -0.263 1.017) 2.076 17.619 ( -0.684 -0.663 -0.462) 1.058 17.993 ( 2.134 -3.509 -12.346) 13.011 19.645 ( -2.032 1.070 12.082) 12.298 20.329 ( -0.832 -3.480 -4.675) 5.887 28.480 ( -1.271 0.952 1.667) 2.302 28.660 ( -2.427 -2.099 -2.195) 3.888 30.839 ( 11.127 0.217 5.443) 12.389 31.428 ( 5.714 7.033 -5.418) 10.558 33.401 ( 0.060 -4.158 1.371) 4.379 34.255 ( 2.663 -8.739 -22.909) 24.663 35.817 ( -2.998 2.392 11.327) 11.959 36.102 ( -7.174 2.120 6.228) 9.734 ======================= Grid point 304 (93/215) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 298 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.680 ( 0.000 -0.000 -2.668) 2.668 3.766 ( 0.000 -0.000 -1.966) 1.966 4.081 ( 0.000 -0.000 3.125) 3.125 4.428 ( 0.000 -0.000 -6.102) 6.102 5.292 ( 0.000 -0.000 18.617) 18.617 5.776 ( 0.000 -0.000 20.594) 20.594 6.572 ( 0.000 -0.000 3.158) 3.158 6.603 ( 0.000 0.000 -5.868) 5.868 6.746 ( 0.000 -0.000 -2.831) 2.831 6.893 ( 0.000 0.000 4.933) 4.933 6.975 ( 0.000 -0.000 -3.248) 3.248 7.584 ( 0.000 -0.000 5.603) 5.603 7.800 ( 0.000 -0.000 -6.403) 6.403 8.198 ( 0.000 0.000 -16.343) 16.343 8.405 ( -0.000 -0.000 7.239) 7.239 9.270 ( 0.000 -0.000 -8.666) 8.666 11.152 ( 0.000 -0.000 0.490) 0.490 11.387 ( -0.000 -0.000 -5.190) 5.190 13.383 ( 0.000 -0.000 1.856) 1.856 13.752 ( 0.000 -0.000 -7.268) 7.268 14.254 ( 0.000 -0.000 4.828) 4.828 14.563 ( 0.000 -0.000 -0.037) 0.037 17.396 ( 0.000 -0.000 4.500) 4.500 17.510 ( 0.000 -0.000 1.476) 1.476 17.616 ( 0.000 -0.000 -0.649) 0.649 18.030 ( 0.000 -0.000 -12.866) 12.866 19.623 ( 0.000 -0.000 12.040) 12.040 20.341 ( 0.000 -0.000 -5.084) 5.084 28.464 ( 0.000 -0.000 1.737) 1.737 28.651 ( 0.000 -0.000 -2.256) 2.256 30.930 ( 0.000 -0.000 4.935) 4.935 31.434 ( 0.000 -0.000 -4.002) 4.002 33.424 ( 0.000 -0.000 1.506) 1.506 34.325 ( 0.000 -0.000 -23.089) 23.089 35.783 ( 0.000 -0.000 9.224) 9.224 36.029 ( 0.000 -0.000 7.766) 7.766 ======================= Grid point 312 (94/215) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 22.376 -0.000 23.871) 32.718 1.957 ( 20.056 -0.000 31.517) 37.357 3.468 ( 56.458 -0.000 32.796) 65.293 3.923 ( -11.014 0.000 -18.100) 21.188 4.612 ( 1.477 -0.000 -29.330) 29.367 4.956 ( 26.095 -0.000 -1.074) 26.117 5.120 ( 24.314 -0.000 -9.383) 26.062 5.736 ( 19.118 -0.000 -22.411) 29.457 6.363 ( 0.994 -0.000 20.324) 20.348 6.385 ( 7.740 -0.000 19.878) 21.332 7.604 ( -26.262 0.000 15.497) 30.494 7.720 ( -4.373 0.000 19.800) 20.277 8.279 ( -1.318 0.000 -19.567) 19.611 8.280 ( 18.060 -0.000 -4.946) 18.725 9.539 ( 21.603 -0.000 -33.144) 39.563 9.655 ( -12.463 0.000 -9.750) 15.824 12.180 ( -14.702 0.000 0.098) 14.702 12.230 ( -28.008 0.000 1.813) 28.067 13.371 ( -2.191 0.000 6.416) 6.779 13.997 ( -1.182 0.000 -5.726) 5.847 14.158 ( 8.382 -0.000 3.558) 9.106 14.425 ( 4.629 -0.000 0.202) 4.634 17.368 ( 0.072 -0.000 -3.110) 3.111 17.475 ( -2.627 0.000 -1.981) 3.291 17.555 ( 0.784 -0.000 0.352) 0.859 17.594 ( -0.529 0.000 -0.411) 0.670 20.033 ( -2.386 0.000 3.111) 3.921 20.079 ( -10.900 0.000 7.326) 13.133 28.645 ( -4.180 0.000 0.551) 4.217 28.703 ( -4.198 0.000 -1.134) 4.348 29.787 ( 26.003 -0.000 5.928) 26.670 31.087 ( 49.636 -0.000 -40.018) 63.758 33.056 ( 2.182 -0.000 0.238) 2.195 33.258 ( -1.499 0.000 -3.424) 3.738 36.701 ( -26.806 0.000 18.317) 32.467 36.711 ( -8.989 0.000 4.787) 10.184 ======================= Grid point 313 (95/215) ======================= q-point: ( 0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 29.852 -7.780 11.852) 33.048 2.394 ( 24.878 -11.350 21.999) 35.095 3.783 ( -7.185 -1.640 -16.775) 18.323 4.362 ( 48.724 -1.715 18.473) 52.137 4.645 ( 4.131 -0.976 -21.339) 21.757 5.403 ( 28.491 0.337 -0.463) 28.497 5.530 ( 23.484 -4.156 -3.250) 24.069 6.012 ( 13.396 -0.136 -17.104) 21.725 6.381 ( 4.305 6.153 19.743) 21.123 6.556 ( 11.270 -2.042 19.764) 22.843 7.174 ( -21.047 2.656 17.194) 27.307 7.644 ( -7.063 -1.995 17.440) 18.921 8.196 ( 0.208 9.490 -14.147) 17.037 8.514 ( 5.305 -4.236 -3.423) 7.602 9.338 ( -6.603 15.126 -14.834) 22.191 9.815 ( -6.406 -11.063 -34.285) 36.591 11.670 ( -19.753 16.255 5.747) 26.219 11.998 ( -17.965 -5.802 -4.333) 19.370 13.345 ( -2.123 -1.089 5.989) 6.447 13.973 ( -1.704 0.570 -6.707) 6.944 14.273 ( 7.729 3.844 4.916) 9.934 14.465 ( 0.396 -1.407 2.527) 2.919 17.403 ( 3.135 1.546 -3.762) 5.136 17.449 ( -0.470 -0.936 -2.405) 2.623 17.583 ( -0.103 -1.046 -0.120) 1.058 17.610 ( 1.430 -5.525 -2.613) 6.277 19.904 ( -5.984 4.653 7.837) 10.903 20.053 ( -2.438 -8.061 1.442) 8.544 28.593 ( -2.390 0.563 0.456) 2.498 28.643 ( -4.528 -2.186 -0.890) 5.106 30.215 ( 26.049 -0.051 7.127) 27.006 31.625 ( 26.268 14.299 -32.666) 44.289 33.140 ( 6.070 -0.111 -1.654) 6.292 33.359 ( 3.681 -18.067 -9.747) 20.857 36.299 ( -19.521 3.204 21.598) 29.288 36.539 ( -11.884 0.672 4.303) 12.657 ======================= Grid point 314 (96/215) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 24.458 -9.341 9.170) 27.741 2.990 ( 30.224 -14.258 8.592) 34.506 3.730 ( -2.610 -3.053 -12.019) 12.673 4.600 ( 2.120 4.238 -21.280) 21.801 5.163 ( 34.510 -3.977 11.009) 36.441 5.768 ( 14.532 2.513 5.462) 15.727 5.964 ( 21.202 -9.754 4.585) 23.784 6.132 ( -0.570 4.156 3.062) 5.193 6.381 ( 9.940 2.292 11.589) 15.439 6.737 ( 7.699 -0.154 11.394) 13.752 7.009 ( 2.140 -2.976 11.175) 11.761 7.536 ( -8.133 -0.942 11.880) 14.428 8.085 ( -1.162 10.100 -10.351) 14.509 8.549 ( -2.365 0.830 -1.019) 2.706 9.088 ( -7.871 12.732 -15.660) 21.663 9.630 ( -19.901 -0.276 -27.196) 33.701 11.306 ( -10.545 6.441 5.018) 13.337 11.759 ( -15.686 -1.028 -6.643) 17.066 13.325 ( -2.209 -1.832 5.663) 6.348 13.929 ( -1.059 3.227 -7.203) 7.964 14.317 ( 3.991 5.234 5.218) 8.399 14.496 ( 0.962 -2.468 2.243) 3.471 17.405 ( -0.787 -0.403 0.339) 0.947 17.479 ( 3.969 2.781 -1.313) 5.021 17.589 ( -0.601 -1.574 -0.723) 1.834 17.737 ( 4.179 -8.195 -8.122) 12.271 19.779 ( -3.489 4.603 8.702) 10.445 20.119 ( -1.240 -9.386 -1.215) 9.545 28.544 ( -2.904 0.757 0.646) 3.069 28.611 ( -2.615 -2.741 -0.889) 3.891 30.595 ( 20.529 0.401 7.283) 21.786 31.721 ( 9.080 16.439 -17.967) 25.990 33.233 ( 4.697 -1.956 -0.501) 5.113 33.695 ( 11.181 -18.139 -18.803) 28.418 36.018 ( -11.499 2.716 18.569) 22.009 36.328 ( -12.569 1.238 4.231) 13.320 ======================= Grid point 315 (97/215) ======================= q-point: ( 0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.315 ( 21.051 -6.599 3.108) 22.280 3.582 ( 23.482 -10.631 2.935) 25.943 3.762 ( 2.903 -4.233 -4.784) 7.016 4.572 ( 1.306 5.903 -15.359) 16.506 5.467 ( -0.645 3.660 11.908) 12.475 5.841 ( 2.485 3.987 11.732) 12.638 6.067 ( 5.996 -1.789 9.056) 11.007 6.389 ( 14.652 -11.631 11.424) 21.920 6.643 ( 8.646 -7.628 2.782) 11.861 6.824 ( 6.887 1.004 0.115) 6.961 7.202 ( 14.312 0.059 5.332) 15.273 7.406 ( -5.816 1.998 3.994) 7.333 7.955 ( -1.746 8.916 -6.429) 11.130 8.468 ( -4.858 1.551 2.961) 5.897 8.730 ( -18.177 15.737 -19.536) 30.979 9.359 ( -11.124 -0.602 -14.901) 18.605 11.157 ( -5.334 -0.428 2.571) 5.936 11.529 ( -13.044 -0.062 -6.315) 14.492 13.316 ( -1.558 -2.623 4.942) 5.807 13.879 ( 0.852 5.568 -7.583) 9.446 14.305 ( 0.229 3.137 5.006) 5.912 14.538 ( 1.912 -0.858 1.241) 2.435 17.401 ( 0.025 0.011 2.494) 2.494 17.505 ( 1.978 1.556 0.877) 2.665 17.598 ( -0.089 -1.157 -1.106) 1.603 17.887 ( 4.405 -6.271 -11.131) 13.514 19.694 ( -1.510 3.859 9.569) 10.428 20.201 ( -0.299 -8.262 -3.202) 8.865 28.491 ( -2.883 -0.007 1.183) 3.116 28.613 ( -0.313 -1.880 -1.420) 2.377 30.848 ( 11.154 0.599 6.344) 12.846 31.640 ( 0.658 12.029 -9.732) 15.486 33.335 ( 5.366 -1.808 0.551) 5.689 34.040 ( 11.576 -11.233 -21.169) 26.614 35.863 ( -5.264 1.832 13.480) 14.587 36.126 ( -10.783 0.331 5.551) 12.132 ======================= Grid point 316 (98/215) ======================= q-point: ( 0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.662 ( 16.366 -0.901 -1.918) 16.503 3.772 ( 2.456 0.046 -2.089) 3.224 4.024 ( 11.679 -4.889 2.521) 12.909 4.513 ( -0.509 6.927 -7.651) 10.334 5.312 ( -6.837 1.785 19.082) 20.348 5.803 ( -0.721 3.180 17.060) 17.369 6.291 ( 4.935 -14.271 2.333) 15.280 6.617 ( 5.190 -3.648 2.315) 6.753 6.744 ( -1.744 -2.732 4.316) 5.397 6.950 ( 6.119 -0.738 -3.988) 7.341 7.080 ( -14.562 10.766 -4.439) 18.646 7.527 ( 3.610 -4.307 3.132) 6.434 7.866 ( 0.067 5.668 -4.252) 7.086 8.283 ( -8.899 6.358 -13.237) 17.170 8.427 ( -1.772 3.244 3.142) 4.851 9.271 ( -1.015 0.029 -8.981) 9.038 11.115 ( -2.815 -3.088 1.018) 4.301 11.360 ( -9.129 -2.643 -4.946) 10.714 13.334 ( 0.199 -3.062 3.826) 4.905 13.845 ( 3.032 6.899 -7.927) 10.938 14.264 ( -2.672 0.806 5.043) 5.764 14.571 ( 1.931 0.670 0.102) 2.046 17.404 ( 0.667 0.696 3.800) 3.920 17.510 ( -0.205 0.082 1.269) 1.288 17.611 ( 0.729 -0.326 -0.753) 1.098 17.995 ( 2.580 -3.137 -12.146) 12.807 19.650 ( 0.245 2.705 10.555) 10.899 20.278 ( 0.538 -5.793 -4.403) 7.296 28.457 ( -1.593 -0.638 1.704) 2.418 28.640 ( 1.836 -0.855 -2.130) 2.939 30.934 ( -0.057 0.367 5.181) 5.194 31.509 ( -4.503 6.485 -5.797) 9.795 33.435 ( 6.229 1.136 1.505) 6.508 34.287 ( 9.151 -3.443 -21.539) 23.655 35.792 ( -2.455 0.802 9.142) 9.500 36.004 ( -4.514 -2.139 7.608) 9.101 ======================= Grid point 317 (99/215) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.728 ( -1.325 8.846 -2.398) 9.260 3.868 ( 9.565 4.655 -1.952) 10.815 4.073 ( -4.134 6.675 2.910) 8.373 4.433 ( -1.453 2.327 -5.369) 6.030 5.310 ( 4.737 -3.494 17.183) 18.163 5.780 ( 0.160 0.380 18.804) 18.809 6.365 ( -17.359 -2.403 4.314) 18.048 6.523 ( -13.092 -0.839 -10.525) 16.819 6.707 ( -20.549 1.254 -0.356) 20.591 6.856 ( 11.511 -4.311 1.364) 12.367 6.932 ( -10.891 0.909 -1.026) 10.977 7.384 ( -11.986 1.386 2.988) 12.430 7.861 ( 3.940 2.670 -5.554) 7.314 8.343 ( 9.069 -1.240 -5.629) 10.746 8.425 ( 5.562 -1.763 2.670) 6.417 9.321 ( 6.690 -0.846 -9.184) 11.394 11.119 ( -1.390 -3.751 0.423) 4.022 11.309 ( -3.873 -7.997 -4.233) 9.842 13.387 ( 2.554 -2.582 2.652) 4.497 13.834 ( 4.846 7.049 -8.041) 11.741 14.205 ( -4.814 -1.289 5.438) 7.376 14.586 ( 1.437 1.680 -1.058) 2.451 17.406 ( 0.539 0.745 3.607) 3.723 17.500 ( -0.801 0.151 0.960) 1.260 17.625 ( 0.773 0.017 -0.114) 0.782 18.032 ( -0.016 0.202 -12.095) 12.097 19.646 ( 1.960 1.297 11.658) 11.893 20.338 ( 1.309 -2.684 -4.774) 5.631 28.457 ( 0.490 -1.102 2.058) 2.386 28.688 ( 3.756 0.484 -2.757) 4.684 30.840 ( -10.865 0.297 4.812) 11.886 31.362 ( -9.331 0.555 -4.679) 10.454 33.503 ( 6.266 5.421 2.057) 8.537 34.398 ( 5.427 4.761 -21.649) 22.821 35.769 ( -0.397 -2.006 9.773) 9.984 36.035 ( 3.618 -4.152 6.260) 8.338 ======================= Grid point 318 (100/215) ======================= q-point: (-0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.500 ( -10.601 16.073 1.527) 19.314 3.789 ( -7.319 20.406 5.892) 22.465 3.943 ( 4.352 6.057 -6.037) 9.596 4.433 ( 0.731 -1.310 -11.154) 11.255 5.427 ( -0.603 1.166 8.145) 8.250 5.734 ( -13.945 0.165 6.908) 15.563 5.881 ( -20.045 3.002 5.053) 20.889 6.237 ( -27.087 -3.899 4.412) 27.719 6.498 ( -20.584 -0.742 1.455) 20.649 6.576 ( -10.973 0.419 4.132) 11.732 7.161 ( 10.274 -10.930 4.306) 15.606 7.229 ( -5.916 5.069 7.927) 11.115 7.905 ( 3.736 1.090 -7.376) 8.340 8.425 ( 3.636 -1.080 0.179) 3.797 8.674 ( 12.399 -9.310 -2.416) 15.693 9.500 ( 13.004 -2.976 -14.866) 19.974 11.148 ( -0.082 -4.145 0.532) 4.180 11.399 ( 0.581 -13.663 -5.169) 14.620 13.462 ( 4.306 -0.365 1.850) 4.701 13.858 ( 6.511 5.335 -8.166) 11.728 14.138 ( -6.288 -2.911 5.928) 9.119 14.581 ( 0.555 2.354 -2.164) 3.245 17.406 ( -0.050 -0.024 1.948) 1.949 17.483 ( -0.316 1.204 0.399) 1.307 17.635 ( 0.631 0.381 0.460) 0.869 17.995 ( -2.154 3.033 -11.055) 11.664 19.686 ( 3.731 -0.275 12.862) 13.395 20.375 ( 1.969 0.697 -4.316) 4.795 28.496 ( 2.916 -1.140 2.143) 3.794 28.746 ( 5.040 2.101 -3.103) 6.280 30.591 ( -19.007 0.495 5.310) 19.742 31.186 ( -15.854 -4.997 -5.810) 17.609 33.518 ( 5.335 9.624 2.174) 11.216 34.368 ( 2.249 11.937 -21.235) 24.463 35.841 ( 4.931 -5.120 12.167) 14.091 36.184 ( 7.856 -5.499 3.866) 10.339 ======================= Grid point 319 (101/215) ======================= q-point: (-0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( -18.299 21.470 6.657) 28.985 3.407 ( -6.966 28.843 9.024) 31.015 3.963 ( 6.128 6.044 -12.315) 15.025 4.409 ( -9.153 1.702 -10.231) 13.833 4.942 ( -31.639 10.098 -0.863) 33.222 5.447 ( -24.865 3.163 -7.729) 26.230 5.777 ( -10.603 -8.466 5.433) 14.616 5.900 ( -18.765 1.606 0.239) 18.835 6.120 ( -9.044 5.238 11.659) 15.658 6.527 ( -7.048 -7.849 21.929) 24.335 7.097 ( -4.294 0.125 7.293) 8.464 7.399 ( 5.668 -9.934 8.158) 14.049 7.949 ( 1.652 -0.417 -8.864) 9.026 8.469 ( -1.210 -1.708 -4.808) 5.244 8.955 ( 9.532 -7.821 4.723) 13.203 9.818 ( 20.005 -7.531 -20.151) 29.377 11.206 ( 1.197 -5.500 1.057) 5.727 11.600 ( 3.050 -18.308 -7.152) 19.890 13.522 ( 4.762 3.142 1.652) 5.939 13.933 ( 7.438 2.256 -8.746) 11.701 14.065 ( -6.893 -3.678 5.691) 9.666 14.552 ( -0.768 2.877 -3.254) 4.410 17.399 ( -1.420 -0.396 -0.176) 1.484 17.475 ( 1.494 1.399 -0.483) 2.103 17.639 ( 0.961 1.179 0.859) 1.746 17.909 ( -2.990 4.795 -8.883) 10.528 19.773 ( 5.601 -2.054 14.016) 15.233 20.385 ( 2.366 4.110 -3.106) 5.669 28.573 ( 5.442 -0.461 1.850) 5.766 28.801 ( 5.446 3.695 -3.048) 7.253 30.234 ( -23.736 1.056 5.809) 24.460 30.943 ( -24.037 -9.062 -8.511) 27.062 33.472 ( 3.733 12.707 2.040) 13.400 34.237 ( 1.022 17.290 -20.452) 26.801 36.034 ( 10.558 -7.727 13.592) 18.865 36.387 ( 9.080 -6.448 2.954) 11.522 ======================= Grid point 320 (102/215) ======================= q-point: (-0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -18.386 25.331 12.778) 33.809 2.948 ( -10.729 32.104 16.466) 37.642 3.853 ( -37.386 15.832 14.660) 43.166 4.031 ( 7.495 4.639 -17.210) 19.336 4.670 ( -2.383 1.147 -15.435) 15.660 4.970 ( -25.525 4.715 -9.875) 27.772 5.350 ( -26.014 8.278 -6.186) 27.991 5.728 ( -15.684 -2.818 -10.524) 19.097 6.094 ( 1.433 -4.989 18.886) 19.586 6.464 ( -6.538 -0.121 22.196) 23.139 7.169 ( 5.269 -12.826 10.594) 17.450 7.558 ( 2.022 -8.840 11.321) 14.505 7.940 ( -5.807 -2.152 -10.914) 12.549 8.420 ( -5.924 -1.718 -6.837) 9.209 9.106 ( 3.687 -0.107 8.146) 8.942 10.252 ( 21.642 -5.298 -20.335) 30.166 11.322 ( 3.111 -12.133 3.168) 12.919 11.876 ( 4.509 -22.345 -7.669) 24.051 13.550 ( 4.420 5.366 2.075) 7.255 13.975 ( -6.856 -4.626 5.133) 9.735 14.052 ( 6.565 1.932 -11.227) 13.149 14.493 ( -2.610 3.362 -4.653) 6.306 17.377 ( -1.147 -0.365 -0.647) 1.367 17.501 ( 2.733 0.649 -1.520) 3.194 17.642 ( 1.542 2.032 0.634) 2.628 17.809 ( -2.459 5.513 -6.113) 8.591 19.913 ( 7.573 -4.408 14.476) 16.921 20.363 ( 2.251 7.228 -1.351) 7.690 28.680 ( 8.148 0.992 1.052) 8.276 28.841 ( 5.140 4.886 -2.513) 7.524 29.827 ( -24.148 1.881 5.645) 24.870 30.588 ( -32.586 -9.475 -11.615) 35.868 33.376 ( 2.025 13.915 1.875) 14.186 34.048 ( 1.032 21.354 -19.436) 28.893 36.336 ( 14.032 -11.025 13.025) 22.094 36.601 ( 8.594 -7.133 3.821) 11.804 ======================= Grid point 321 (103/215) ======================= q-point: (-0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -7.790 23.015 24.863) 34.764 2.393 ( -17.496 27.946 26.068) 42.032 3.082 ( -24.403 30.633 28.760) 48.590 4.151 ( 9.957 0.822 -18.319) 20.866 4.517 ( -18.403 -1.621 -4.229) 18.952 4.703 ( 0.988 6.469 -25.813) 26.630 4.898 ( -18.794 7.280 -8.763) 21.978 5.490 ( -12.745 0.795 -16.949) 21.221 6.185 ( 1.735 -7.247 19.870) 21.222 6.349 ( -5.171 2.147 15.359) 16.348 7.481 ( 9.340 -20.352 10.349) 24.668 7.649 ( -2.900 -7.304 6.321) 10.085 7.789 ( -14.066 -4.075 -7.682) 16.537 8.360 ( -2.068 0.120 -2.039) 2.907 9.082 ( -1.704 6.761 9.486) 11.773 10.477 ( 10.014 14.611 -21.088) 27.541 11.623 ( 7.205 -29.045 8.312) 31.059 12.204 ( 4.595 -24.857 -5.577) 25.886 13.554 ( 3.353 5.783 3.063) 7.353 13.910 ( -6.256 -4.585 4.475) 8.955 14.126 ( 5.394 3.474 -14.803) 16.134 14.394 ( -4.668 4.385 -6.225) 8.931 17.385 ( 0.867 -1.728 0.714) 2.061 17.534 ( 2.088 1.174 -1.635) 2.901 17.639 ( 0.423 2.423 -0.571) 2.525 17.726 ( -0.038 5.573 -3.897) 6.800 20.107 ( 8.200 -7.620 12.295) 16.627 20.305 ( 1.366 9.245 0.548) 9.361 28.809 ( 9.922 3.176 -0.654) 10.439 28.866 ( 4.783 5.171 -1.336) 7.170 29.451 ( -18.428 2.374 4.881) 19.211 30.102 ( -34.327 -3.492 -11.147) 36.261 33.256 ( 0.774 12.655 1.816) 12.808 33.825 ( 0.902 23.859 -17.304) 29.487 36.659 ( 8.180 -10.862 7.349) 15.457 36.839 ( 10.359 -12.041 6.770) 17.266 ======================= Grid point 322 (104/215) ======================= q-point: (-0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 0.000 12.672 38.022) 40.078 1.894 ( 0.000 23.122 33.423) 40.641 2.500 ( 0.000 34.466 38.328) 51.545 4.305 ( 0.000 2.559 -10.372) 10.683 4.331 ( -0.000 -6.400 -9.561) 11.505 4.642 ( 0.000 7.389 -9.761) 12.243 4.653 ( 0.000 5.965 -29.004) 29.612 5.365 ( 0.000 1.400 -21.563) 21.608 6.277 ( 0.000 1.827 13.469) 13.592 6.313 ( -0.000 -11.341 20.394) 23.335 7.558 ( 0.000 1.480 -13.696) 13.775 7.726 ( -0.000 -5.465 20.189) 20.915 7.876 ( -0.000 -28.035 -3.588) 28.263 8.340 ( 0.000 1.070 3.884) 4.029 8.950 ( 0.000 11.162 10.469) 15.303 10.313 ( 0.000 27.500 -18.966) 33.406 12.048 ( -0.000 -33.762 10.241) 35.281 12.511 ( -0.000 -23.748 -3.451) 23.997 13.527 ( 0.000 5.268 4.567) 6.972 13.898 ( -0.000 -4.068 2.540) 4.796 14.136 ( 0.000 4.918 -14.966) 15.754 14.279 ( 0.000 5.641 -5.043) 7.566 17.423 ( -0.000 -2.536 1.301) 2.850 17.537 ( 0.000 1.620 -1.074) 1.944 17.605 ( 0.000 2.876 -1.316) 3.163 17.680 ( 0.000 5.474 -2.796) 6.147 20.203 ( 0.000 9.250 3.211) 9.791 20.298 ( -0.000 -9.197 4.926) 10.433 28.843 ( 0.000 4.439 -0.832) 4.516 28.898 ( 0.000 5.058 -2.275) 5.546 29.252 ( 0.000 1.986 4.662) 5.067 29.748 ( 0.000 2.215 -5.459) 5.891 33.146 ( 0.000 8.986 1.761) 9.157 33.583 ( 0.000 22.887 -12.888) 26.266 36.801 ( -0.000 -6.020 5.418) 8.099 37.121 ( -0.000 -17.112 2.785) 17.337 ======================= Grid point 325 (105/215) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 29.278 -0.000 15.450) 33.104 2.809 ( 32.922 -0.000 4.585) 33.239 3.697 ( -2.380 0.000 -12.966) 13.183 4.646 ( 1.707 -0.000 -22.946) 23.009 5.129 ( 40.504 -0.000 15.457) 43.353 5.811 ( 18.814 -0.000 6.268) 19.831 5.847 ( 18.131 -0.000 3.948) 18.556 6.148 ( 4.279 -0.000 -6.860) 8.085 6.431 ( -5.372 0.000 19.216) 19.953 6.729 ( 9.887 -0.000 10.601) 14.496 6.977 ( 2.145 -0.000 12.701) 12.881 7.512 ( -7.673 0.000 12.201) 14.413 8.216 ( -3.149 0.000 -11.242) 11.674 8.540 ( -0.275 0.000 0.427) 0.508 9.274 ( -7.052 0.000 -14.720) 16.322 9.592 ( -18.475 0.000 -36.367) 40.791 11.427 ( -18.799 0.000 5.896) 19.702 11.692 ( -14.932 0.000 -3.028) 15.236 13.312 ( -1.647 0.000 6.097) 6.316 13.965 ( 0.013 -0.000 -6.950) 6.950 14.415 ( 6.814 -0.000 3.866) 7.834 14.431 ( -2.673 0.000 4.714) 5.420 17.407 ( -0.840 0.000 -0.153) 0.854 17.535 ( 4.314 -0.000 -2.305) 4.891 17.580 ( 3.492 -0.000 -6.549) 7.422 17.600 ( 1.675 -0.000 -1.085) 1.996 19.884 ( -2.056 0.000 5.390) 5.769 19.958 ( -1.876 0.000 1.309) 2.288 28.552 ( -4.869 0.000 0.110) 4.870 28.581 ( -0.205 0.000 -0.220) 0.301 30.600 ( 20.781 -0.000 7.693) 22.160 31.931 ( 3.904 -0.000 -24.314) 24.626 33.254 ( 2.598 -0.000 -2.512) 3.614 33.429 ( 21.015 -0.000 -13.471) 24.962 36.048 ( -12.948 0.000 20.623) 24.351 36.340 ( -13.155 0.000 3.741) 13.677 ======================= Grid point 326 (106/215) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( 28.675 0.625 5.859) 29.274 3.374 ( 30.062 -7.751 2.007) 31.110 3.705 ( 2.273 -1.354 -6.969) 7.455 4.662 ( 2.074 2.193 -18.085) 18.335 5.565 ( 6.729 4.690 10.880) 13.625 5.929 ( 6.078 3.086 14.815) 16.308 6.070 ( -0.092 -1.660 4.690) 4.976 6.179 ( 7.884 -3.281 13.625) 16.080 6.457 ( 7.565 -8.028 8.272) 13.788 6.840 ( 4.872 0.371 1.322) 5.062 7.198 ( 18.415 -0.139 6.778) 19.623 7.408 ( -5.625 -0.597 1.744) 5.919 8.124 ( -4.088 5.151 -7.151) 9.715 8.483 ( -6.513 0.127 1.740) 6.742 9.069 ( -17.746 14.365 -23.041) 32.437 9.294 ( -11.918 -6.243 -18.229) 22.656 11.171 ( -10.666 1.515 4.760) 11.778 11.475 ( -15.120 -3.456 -3.638) 15.931 13.290 ( -1.010 -0.247 6.589) 6.670 13.968 ( 1.970 2.355 -7.781) 8.365 14.364 ( -3.294 1.945 5.191) 6.448 14.519 ( 4.641 -0.814 2.243) 5.219 17.406 ( 0.860 0.385 1.136) 1.476 17.530 ( -1.364 -0.090 0.816) 1.592 17.603 ( 2.346 2.528 -2.083) 4.029 17.751 ( 7.377 -5.737 -9.349) 13.218 19.812 ( -0.338 7.115 5.175) 8.804 20.008 ( -0.286 -9.279 -0.195) 9.285 28.482 ( -3.924 -0.509 1.005) 4.083 28.591 ( 1.059 -0.359 -1.048) 1.533 30.859 ( 11.072 0.320 6.970) 13.087 31.859 ( -5.663 6.638 -14.846) 17.220 33.329 ( 7.703 0.747 -0.769) 7.777 33.828 ( 20.591 -7.016 -17.347) 27.824 35.889 ( -6.443 0.647 15.846) 17.118 36.126 ( -12.991 -0.134 4.293) 13.682 ======================= Grid point 327 (107/215) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.670 ( 24.467 2.044 -1.062) 24.575 3.764 ( 6.321 -0.572 -2.623) 6.868 3.896 ( 20.069 -6.807 1.377) 21.237 4.658 ( 1.131 5.448 -11.258) 12.558 5.364 ( -13.568 3.026 20.780) 25.001 5.925 ( -2.268 7.653 10.216) 12.965 6.070 ( -1.183 -5.496 8.611) 10.283 6.445 ( 7.536 -11.603 7.185) 15.590 6.667 ( 8.150 -4.388 5.728) 10.885 6.927 ( 6.014 -0.852 -2.382) 6.524 7.257 ( -9.809 5.776 -8.122) 13.984 7.438 ( 1.112 -3.789 -0.102) 3.950 8.006 ( -2.113 6.433 -3.573) 7.656 8.354 ( -7.049 0.859 1.286) 7.217 8.596 ( -16.018 10.215 -13.745) 23.448 9.265 ( 0.573 -0.636 -9.460) 9.499 11.050 ( -5.601 -2.406 2.390) 6.548 11.280 ( -13.710 -4.369 -3.518) 14.813 13.292 ( 0.606 -0.935 6.626) 6.719 13.980 ( 4.288 5.041 -8.620) 10.868 14.283 ( -4.934 0.849 5.508) 7.444 14.586 ( 3.644 0.644 0.373) 3.720 17.421 ( 1.705 0.944 2.250) 2.976 17.510 ( -1.337 -0.340 0.691) 1.543 17.613 ( 1.094 0.850 -0.978) 1.696 17.910 ( 5.403 -4.365 -10.250) 12.382 19.744 ( 0.795 6.321 6.594) 9.169 20.113 ( 0.940 -9.273 -2.205) 9.577 28.440 ( -2.083 -0.848 1.696) 2.817 28.624 ( 2.565 -0.524 -1.975) 3.279 30.943 ( -0.246 0.393 5.604) 5.623 31.660 ( -9.692 6.528 -9.519) 15.072 33.472 ( 11.240 2.144 1.112) 11.496 34.196 ( 16.988 -4.537 -17.846) 25.053 35.814 ( -3.013 1.150 9.656) 10.180 35.951 ( -8.940 -2.570 6.645) 11.432 ======================= Grid point 328 (108/215) ======================= q-point: ( 0.42 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.844 ( 4.628 2.750 -0.049) 5.383 3.972 ( 16.049 4.449 -5.164) 17.436 4.167 ( 9.845 2.562 1.151) 10.238 4.539 ( -6.640 6.621 -1.228) 9.456 5.254 ( 1.108 -1.830 18.095) 18.221 5.818 ( -3.055 2.594 15.918) 16.415 6.087 ( -8.348 -12.736 2.681) 15.462 6.549 ( -6.713 -4.147 -0.981) 7.951 6.785 ( -14.390 4.113 -3.650) 15.405 6.868 ( -9.335 6.209 -3.997) 11.902 6.960 ( -6.486 0.574 -1.775) 6.749 7.364 ( -6.387 -3.071 -5.854) 9.192 7.938 ( 0.984 4.480 -2.557) 5.251 8.344 ( 5.378 0.292 2.241) 5.834 8.411 ( -2.129 0.797 -1.646) 2.806 9.314 ( 5.738 0.138 -7.397) 9.362 11.023 ( -2.961 -4.750 0.681) 5.639 11.145 ( -10.017 -7.183 -2.686) 12.615 13.334 ( 2.854 -1.843 5.831) 6.748 14.001 ( 6.446 7.450 -9.201) 13.480 14.189 ( -6.352 -0.368 6.053) 8.782 14.624 ( 2.728 1.821 -1.450) 3.586 17.431 ( 0.916 1.555 2.427) 3.024 17.498 ( -0.528 -0.270 0.438) 0.737 17.621 ( 0.384 -0.305 0.030) 0.491 18.007 ( 2.197 -2.198 -10.480) 10.931 19.707 ( 1.873 4.665 8.425) 9.811 20.225 ( 1.684 -7.634 -3.511) 8.570 28.436 ( 0.537 -0.863 2.168) 2.395 28.685 ( 4.240 -0.537 -2.888) 5.158 30.849 ( -10.559 0.445 4.721) 11.575 31.421 ( -13.111 4.010 -6.717) 15.267 33.624 ( 12.287 5.827 2.338) 13.798 34.456 ( 12.560 0.885 -17.984) 21.954 35.738 ( -4.718 -0.883 8.192) 9.494 35.938 ( 1.565 -4.713 6.088) 7.857 ======================= Grid point 329 (109/215) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.793 ( -4.105 11.334 1.861) 12.197 4.065 ( 3.763 5.400 -3.332) 7.377 4.174 ( 3.014 14.696 1.192) 15.050 4.441 ( 2.405 2.305 -3.985) 5.194 5.361 ( 5.472 -4.732 14.330) 16.053 5.767 ( -6.336 1.179 15.875) 17.134 6.007 ( -21.445 -2.541 -4.266) 22.012 6.048 ( -40.338 -3.558 -5.373) 40.849 6.389 ( -14.522 -0.722 -0.832) 14.563 6.717 ( -15.154 5.268 -0.406) 16.048 7.024 ( 11.310 -0.987 3.013) 11.746 7.331 ( -1.932 2.926 2.828) 4.505 7.932 ( 1.717 1.335 -6.253) 6.621 8.410 ( 3.951 -1.798 8.600) 9.633 8.482 ( 3.227 -7.274 -6.306) 10.153 9.458 ( 11.344 -1.132 -10.498) 15.498 11.041 ( -1.694 -5.688 0.059) 5.936 11.124 ( -4.921 -11.826 -2.184) 12.994 13.419 ( 4.657 -2.411 4.492) 6.905 14.027 ( 6.817 8.576 -8.099) 13.624 14.093 ( -5.744 -1.012 5.302) 7.882 14.636 ( 1.729 2.772 -3.202) 4.574 17.419 ( -0.365 1.263 1.474) 1.975 17.494 ( -0.300 -0.042 0.063) 0.309 17.635 ( 0.914 -0.366 0.911) 1.342 18.027 ( -1.050 0.126 -10.118) 10.173 19.707 ( 2.942 2.542 10.496) 11.193 20.324 ( 2.164 -5.242 -3.964) 6.919 28.477 ( 3.597 -0.672 2.407) 4.380 28.768 ( 5.604 0.080 -3.585) 6.653 30.606 ( -18.205 0.831 4.760) 18.835 31.151 ( -17.315 0.878 -5.720) 18.257 33.730 ( 11.052 10.213 2.774) 15.302 34.572 ( 7.296 7.437 -18.020) 20.815 35.731 ( 0.523 -5.250 10.546) 11.792 36.061 ( 6.127 -5.795 2.913) 8.923 ======================= Grid point 330 (110/215) ======================= q-point: (-0.42 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.489 ( -12.348 18.506 5.744) 22.977 3.949 ( -4.446 20.367 2.979) 21.058 4.092 ( 4.194 6.105 -7.439) 10.497 4.482 ( 4.367 5.740 -9.011) 11.542 5.106 ( -46.075 4.383 -1.078) 46.296 5.467 ( -1.655 -2.875 4.532) 5.616 5.657 ( -22.671 0.100 -4.939) 23.203 5.868 ( -9.767 -4.485 6.328) 12.472 6.221 ( -7.762 -3.954 10.857) 13.920 6.417 ( -11.530 6.284 7.135) 14.945 7.108 ( -6.872 0.830 13.956) 15.579 7.300 ( 6.891 0.349 1.218) 7.006 7.949 ( 0.590 0.207 -9.030) 9.052 8.454 ( -1.285 -0.400 -2.187) 2.568 8.697 ( 8.110 -16.002 5.052) 18.638 9.698 ( 15.471 -3.569 -16.707) 23.048 11.088 ( -0.200 -5.991 0.220) 5.998 11.225 ( -1.498 -16.514 -3.176) 16.883 13.523 ( 5.030 -1.920 3.135) 6.230 13.981 ( -6.376 -1.461 6.408) 9.157 14.089 ( 8.624 8.344 -9.517) 15.316 14.621 ( 0.497 3.551 -4.880) 6.056 17.394 ( -2.030 0.014 0.502) 2.091 17.493 ( 0.697 0.340 -0.630) 0.999 17.657 ( 1.841 0.485 1.102) 2.200 17.978 ( -3.354 1.873 -8.971) 9.759 19.749 ( 3.917 0.065 12.725) 13.314 20.402 ( 2.402 -2.415 -3.576) 4.939 28.565 ( 6.717 -0.209 2.313) 7.107 28.857 ( 6.258 1.490 -3.816) 7.480 30.262 ( -22.390 1.520 5.234) 23.044 30.839 ( -22.044 -1.535 -5.987) 22.894 33.759 ( 8.363 14.078 2.709) 16.597 34.548 ( 3.309 12.417 -17.064) 21.361 35.864 ( 6.607 -8.491 11.151) 15.495 36.241 ( 7.481 -6.954 1.241) 10.289 ======================= Grid point 331 (111/215) ======================= q-point: (-0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( -15.924 23.810 8.017) 29.745 3.532 ( -19.987 21.964 12.586) 32.253 4.104 ( 3.801 5.183 -13.396) 14.858 4.249 ( -15.786 17.484 -3.045) 23.752 4.672 ( -4.761 -0.155 -5.050) 6.942 5.132 ( -21.341 9.520 -13.512) 26.993 5.478 ( -18.537 0.656 -1.756) 18.632 5.632 ( -13.898 -2.921 -1.645) 14.296 6.130 ( -0.762 8.164 12.974) 15.348 6.371 ( -0.126 -8.746 24.964) 26.452 6.971 ( -6.716 -3.966 8.552) 11.575 7.432 ( 5.228 -3.317 8.810) 10.768 7.917 ( -5.453 -0.029 -11.103) 12.370 8.399 ( -4.978 -0.831 -4.347) 6.661 8.997 ( 8.153 -12.113 10.736) 18.124 10.041 ( 18.086 -10.253 -19.349) 28.401 11.156 ( 0.705 -5.970 0.323) 6.020 11.411 ( 0.116 -20.602 -5.281) 21.268 13.608 ( 3.963 0.061 2.199) 4.532 13.895 ( -6.999 -2.952 7.441) 10.633 14.154 ( 9.731 7.928 -13.095) 18.139 14.576 ( -1.004 4.307 -6.454) 7.824 17.357 ( -3.100 -1.369 0.618) 3.445 17.516 ( 2.810 0.697 -1.519) 3.270 17.680 ( 2.155 1.419 0.511) 2.630 17.891 ( -4.165 2.556 -7.079) 8.602 19.832 ( 4.536 -2.831 14.818) 15.753 20.449 ( 2.253 0.734 -2.502) 3.446 28.695 ( 9.592 0.551 1.732) 9.762 28.932 ( 6.232 3.428 -3.385) 7.877 29.874 ( -22.548 2.489 5.404) 23.320 30.473 ( -25.629 -2.002 -6.759) 26.581 33.704 ( 5.108 16.687 2.498) 17.629 34.437 ( 1.668 15.676 -16.366) 22.723 36.103 ( 9.712 -11.069 10.483) 18.076 36.436 ( 6.597 -8.058 1.155) 10.478 ======================= Grid point 332 (112/215) ======================= q-point: (-0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -16.115 22.224 15.405) 31.478 2.936 ( -19.916 24.152 21.142) 37.775 3.832 ( -1.155 35.738 9.358) 36.961 4.142 ( 1.263 -1.675 -18.997) 19.112 4.549 ( -10.707 5.587 -3.341) 12.530 4.844 ( -1.032 6.218 -20.177) 21.138 5.072 ( -17.995 8.998 -5.449) 20.844 5.477 ( -10.965 -2.329 -8.157) 13.864 6.105 ( 2.041 0.371 16.654) 16.782 6.389 ( -2.935 0.814 17.625) 17.887 7.058 ( 2.770 -16.986 8.912) 19.380 7.528 ( 1.455 -4.863 14.428) 15.295 7.761 ( -11.761 1.334 -13.971) 18.310 8.353 ( -1.559 -0.873 -1.632) 2.420 9.166 ( 3.493 -1.681 12.429) 13.020 10.452 ( 13.905 -14.397 -17.103) 26.327 11.236 ( 0.527 -8.017 0.796) 8.074 11.659 ( 0.845 -24.927 -6.309) 25.727 13.646 ( 2.366 2.398 1.893) 3.865 13.826 ( -5.181 -3.255 6.632) 9.023 14.219 ( 6.940 6.278 -17.261) 19.635 14.498 ( -2.279 5.248 -7.503) 9.436 17.337 ( -1.655 -2.694 1.929) 3.704 17.559 ( 3.205 1.199 -2.141) 4.037 17.691 ( 1.245 2.229 -0.534) 2.608 17.805 ( -2.907 2.186 -5.063) 6.235 19.951 ( 4.030 -6.374 15.912) 17.608 20.455 ( 1.485 4.105 -1.090) 4.499 28.855 ( 10.945 1.260 0.411) 11.025 28.982 ( 5.485 5.354 -2.285) 7.998 29.512 ( -17.343 3.354 4.994) 18.357 30.074 ( -23.440 0.676 -6.789) 24.413 33.580 ( 2.108 17.478 2.329) 17.758 34.277 ( 0.914 18.576 -16.781) 25.050 36.386 ( 7.967 -13.835 8.943) 18.299 36.616 ( 4.276 -9.541 2.339) 10.713 ======================= Grid point 333 (113/215) ======================= q-point: (-0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 0.000 17.001 26.843) 31.774 2.467 ( 0.000 29.455 24.331) 38.205 3.384 ( 0.000 45.498 19.559) 49.524 4.196 ( -0.000 -6.374 -14.347) 15.699 4.386 ( 0.000 5.556 -11.185) 12.489 4.801 ( 0.000 6.834 -22.886) 23.885 4.813 ( 0.000 8.840 -4.929) 10.121 5.385 ( 0.000 0.056 -13.939) 13.939 6.144 ( -0.000 -3.820 18.546) 18.935 6.330 ( 0.000 2.978 12.903) 13.242 7.321 ( -0.000 -23.616 6.396) 24.467 7.591 ( -0.000 -5.675 17.737) 18.623 7.610 ( 0.000 2.709 -13.799) 14.062 8.351 ( -0.000 -0.276 1.327) 1.355 9.160 ( 0.000 6.657 11.897) 13.632 10.661 ( 0.000 0.451 -18.170) 18.176 11.391 ( -0.000 -21.827 5.110) 22.418 11.950 ( -0.000 -27.757 -5.614) 28.319 13.632 ( 0.000 4.057 2.161) 4.597 13.815 ( -0.000 -3.542 5.134) 6.237 14.224 ( 0.000 4.523 -19.860) 20.368 14.409 ( 0.000 6.275 -6.777) 9.236 17.360 ( -0.000 -3.372 2.454) 4.170 17.573 ( 0.000 1.745 -1.986) 2.644 17.669 ( 0.000 3.014 -1.278) 3.274 17.763 ( 0.000 2.165 -3.988) 4.538 20.076 ( -0.000 -9.480 14.696) 17.488 20.407 ( 0.000 7.393 0.097) 7.394 28.954 ( 0.000 3.713 -1.770) 4.113 28.980 ( 0.000 4.392 -1.215) 4.557 29.311 ( 0.000 3.419 4.763) 5.863 29.814 ( 0.000 3.877 -5.504) 6.733 33.417 ( 0.000 16.067 2.174) 16.214 34.074 ( 0.000 21.580 -17.681) 27.898 36.602 ( -0.000 -13.098 6.719) 14.721 36.776 ( -0.000 -13.362 4.464) 14.088 ======================= Grid point 338 (114/215) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.736 ( 23.394 -0.000 -1.823) 23.464 3.758 ( 22.793 -0.000 -3.694) 23.091 3.774 ( 11.779 -0.000 2.365) 12.014 4.715 ( 2.255 -0.000 -13.085) 13.278 5.408 ( -18.106 0.000 22.106) 28.575 5.973 ( -11.387 0.000 7.462) 13.614 6.182 ( 14.075 -0.000 4.424) 14.754 6.187 ( -1.331 0.000 15.259) 15.317 6.605 ( 15.314 -0.000 6.295) 16.558 6.919 ( 4.932 -0.000 -1.499) 5.155 7.331 ( -4.447 0.000 -10.507) 11.409 7.381 ( -2.349 0.000 0.541) 2.410 8.083 ( -3.517 0.000 -4.057) 5.369 8.360 ( -6.676 0.000 3.183) 7.396 8.723 ( -23.988 0.000 -17.466) 29.673 9.254 ( 3.313 -0.000 -9.417) 9.982 11.026 ( -7.435 0.000 3.268) 8.121 11.221 ( -13.966 0.000 -2.273) 14.149 13.284 ( 0.557 -0.000 7.612) 7.632 14.035 ( 4.614 -0.000 -8.815) 9.949 14.293 ( -5.916 0.000 5.770) 8.264 14.593 ( 4.438 -0.000 0.498) 4.466 17.436 ( 2.320 -0.000 1.407) 2.714 17.500 ( -1.603 0.000 0.377) 1.647 17.632 ( -0.192 0.000 -1.258) 1.272 17.852 ( 7.619 -0.000 -8.986) 11.782 19.901 ( 2.539 -0.000 2.623) 3.650 19.923 ( -0.328 0.000 0.818) 0.881 28.429 ( -1.980 0.000 1.721) 2.623 28.619 ( 2.565 -0.000 -1.943) 3.218 30.947 ( -0.352 0.000 5.794) 5.805 31.736 ( -12.415 0.000 -11.463) 16.898 33.501 ( 13.007 -0.000 0.532) 13.018 34.138 ( 20.622 -0.000 -15.509) 25.803 35.830 ( -1.370 0.000 11.074) 11.159 35.918 ( -12.364 0.000 5.010) 13.341 ======================= Grid point 339 (115/215) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.875 ( 7.785 0.572 1.396) 7.929 4.034 ( 13.631 1.470 -5.914) 14.931 4.196 ( 23.868 0.523 -1.331) 23.910 4.655 ( -9.837 3.244 -0.070) 10.359 5.229 ( -1.176 -0.648 18.336) 18.385 5.763 ( -15.576 -4.648 8.367) 18.282 6.074 ( -3.348 7.580 9.857) 12.878 6.390 ( 1.650 -8.750 1.345) 9.005 6.834 ( 4.514 1.083 0.420) 4.661 6.955 ( -4.480 -0.329 -0.185) 4.496 7.013 ( -27.200 4.621 -8.574) 28.891 7.291 ( -2.230 -2.787 -14.452) 14.887 8.026 ( -1.753 2.884 -1.780) 3.816 8.330 ( 0.182 -0.959 11.468) 11.509 8.451 ( -7.626 1.732 -9.031) 11.946 9.321 ( 5.384 0.268 -6.545) 8.479 10.946 ( -3.821 -2.015 1.083) 4.454 11.028 ( -11.936 -3.247 -1.552) 12.467 13.313 ( 2.869 -0.338 8.160) 8.657 14.113 ( 6.906 2.863 -9.739) 12.277 14.185 ( -7.227 -0.023 6.529) 9.740 14.654 ( 3.613 0.848 -1.486) 3.997 17.464 ( 1.413 1.413 0.973) 2.223 17.488 ( -0.127 -0.711 0.080) 0.727 17.617 ( -1.078 -0.035 -0.050) 1.080 17.961 ( 4.212 -1.590 -8.525) 9.641 19.843 ( 1.733 8.083 3.620) 9.025 20.038 ( 2.123 -9.494 -0.606) 9.748 28.423 ( 0.961 -0.341 2.135) 2.366 28.674 ( 4.155 -0.325 -2.848) 5.048 30.856 ( -10.408 0.210 4.827) 11.475 31.492 ( -16.013 2.053 -8.792) 18.383 33.726 ( 15.974 3.043 1.853) 16.366 34.452 ( 17.197 -0.616 -14.104) 22.249 35.731 ( -9.362 0.113 6.861) 11.608 35.857 ( 2.322 -2.409 5.930) 6.809 ======================= Grid point 340 (116/215) ======================= q-point: (-0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.967 ( 5.140 5.169 2.639) 7.752 4.156 ( 4.362 2.825 -3.725) 6.394 4.370 ( -6.738 5.230 4.096) 9.462 4.533 ( 12.634 4.880 -1.032) 13.583 5.286 ( 2.155 -2.007 12.683) 13.020 5.618 ( -13.519 -12.849 8.836) 20.638 5.924 ( -9.975 4.874 3.821) 11.741 6.160 ( -46.969 2.846 -4.790) 47.299 6.423 ( -5.924 2.198 -5.849) 8.610 6.783 ( -12.124 2.023 -2.546) 12.553 7.073 ( 11.807 3.731 -0.805) 12.408 7.334 ( 1.101 -2.128 -4.361) 4.976 7.969 ( -1.235 2.308 -3.321) 4.229 8.302 ( -4.909 -5.383 9.708) 12.137 8.430 ( 1.166 -0.548 -2.601) 2.902 9.444 ( 10.292 -0.362 -7.528) 12.756 10.913 ( -8.029 -6.496 -0.641) 10.348 10.941 ( -1.826 -4.558 -0.529) 4.939 13.384 ( 4.936 -0.899 7.781) 9.258 14.066 ( -7.795 -0.512 7.496) 10.827 14.195 ( 8.692 5.573 -10.341) 14.613 14.690 ( 2.772 2.156 -3.453) 4.925 17.454 ( -0.798 1.777 0.294) 1.970 17.488 ( -0.566 -0.358 -0.443) 0.803 17.620 ( 0.947 -0.967 1.335) 1.901 18.012 ( 0.292 -1.125 -8.301) 8.382 19.800 ( 2.276 6.203 5.941) 8.886 20.172 ( 2.467 -8.665 -2.183) 9.270 28.468 ( 4.348 -0.194 2.301) 4.923 28.759 ( 5.746 -0.615 -3.598) 6.807 30.622 ( -17.606 0.602 4.642) 18.217 31.188 ( -18.996 1.885 -6.982) 20.326 33.926 ( 15.267 7.652 2.407) 17.246 34.682 ( 12.260 3.092 -13.942) 18.822 35.630 ( -4.810 -3.942 9.465) 11.325 35.958 ( 5.900 -3.622 1.969) 7.198 ======================= Grid point 341 (117/215) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.834 ( -7.699 14.339 8.353) 18.293 4.175 ( 3.477 4.089 -3.951) 6.665 4.227 ( -6.833 4.184 -1.268) 8.112 4.652 ( 9.834 8.356 -4.400) 13.635 5.112 ( -43.916 -2.562 -0.617) 43.995 5.422 ( -11.281 -2.451 9.927) 15.225 5.566 ( -12.804 -7.526 4.842) 15.622 5.822 ( -6.675 1.161 -1.076) 6.860 6.242 ( -6.889 8.079 -2.814) 10.984 6.580 ( -8.603 5.758 3.614) 10.965 7.165 ( 0.735 4.599 11.346) 12.264 7.332 ( 1.651 0.773 -1.940) 2.662 7.955 ( 0.460 0.441 -8.355) 8.379 8.340 ( -3.861 -14.637 -0.052) 15.138 8.444 ( 0.380 -2.008 4.780) 5.199 9.652 ( 13.873 -1.235 -12.935) 19.008 10.909 ( -4.050 -11.373 -0.115) 12.073 10.980 ( -0.303 -5.624 -0.786) 5.686 13.483 ( 5.643 -1.405 6.642) 8.828 13.950 ( -7.560 -1.090 8.483) 11.415 14.275 ( 9.888 7.791 -10.975) 16.701 14.697 ( 1.648 3.477 -5.458) 6.678 17.397 ( -4.393 0.177 0.701) 4.452 17.497 ( 1.559 0.245 -0.905) 1.819 17.657 ( 2.302 -0.493 0.957) 2.542 17.995 ( -2.975 -0.042 -7.836) 8.382 19.788 ( 2.716 3.744 8.600) 9.765 20.296 ( 2.408 -7.213 -2.899) 8.138 28.565 ( 7.672 0.227 2.284) 8.008 28.867 ( 6.863 -0.275 -3.981) 7.939 30.294 ( -21.351 1.339 4.980) 21.965 30.844 ( -21.552 1.275 -6.060) 22.424 34.043 ( 12.015 12.214 2.364) 17.295 34.767 ( 6.059 8.537 -13.242) 16.880 35.678 ( 2.287 -8.926 10.437) 13.922 36.111 ( 7.167 -5.002 -0.300) 8.745 ======================= Grid point 342 (118/215) ======================= q-point: (-0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( -16.903 17.873 6.108) 25.347 3.872 ( -24.704 11.242 8.771) 28.523 4.185 ( -1.266 2.773 -11.258) 11.664 4.506 ( -18.392 3.650 -6.179) 19.743 4.719 ( 6.418 4.108 -2.003) 7.879 5.285 ( -16.516 1.381 -4.415) 17.152 5.402 ( -5.146 -0.120 2.964) 5.940 5.675 ( -13.478 4.187 -1.724) 14.219 6.195 ( 6.043 -3.059 13.501) 15.105 6.373 ( -5.250 11.224 9.832) 15.818 6.995 ( -10.486 5.000 14.585) 18.646 7.405 ( 4.763 0.216 3.107) 5.691 7.929 ( -3.387 1.043 -10.757) 11.326 8.356 ( -5.706 -4.555 -7.124) 10.201 8.625 ( 5.923 -19.750 10.420) 23.103 9.899 ( 13.453 -3.554 -18.742) 23.342 11.011 ( -0.216 -13.035 -0.531) 13.048 11.048 ( -0.116 -8.611 -0.609) 8.634 13.584 ( 4.657 -1.478 5.180) 7.121 13.849 ( -6.577 -1.490 8.977) 11.228 14.347 ( 10.051 9.163 -12.431) 18.425 14.669 ( 0.095 4.485 -7.474) 8.717 17.325 ( -5.159 -1.592 1.901) 5.724 17.531 ( 3.365 0.789 -1.822) 3.908 17.697 ( 2.257 0.117 0.042) 2.261 17.925 ( -4.836 0.842 -6.862) 8.436 19.808 ( 2.805 0.837 11.480) 11.847 20.398 ( 2.042 -5.249 -2.806) 6.293 28.707 ( 10.272 0.620 2.044) 10.492 28.979 ( 7.314 1.036 -3.753) 8.286 29.926 ( -21.208 2.367 5.220) 21.969 30.473 ( -22.408 1.372 -5.790) 23.185 34.054 ( 7.736 15.836 2.184) 17.759 34.721 ( 2.346 11.737 -11.640) 16.696 35.864 ( 6.276 -11.722 9.035) 16.076 36.281 ( 6.207 -6.274 -0.955) 8.877 ======================= Grid point 343 (119/215) ======================= q-point: (-0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( -26.586 14.989 8.423) 31.661 3.414 ( -10.020 20.732 17.800) 29.104 4.086 ( -8.042 -2.872 -17.509) 19.480 4.354 ( 3.093 10.929 -4.196) 12.108 4.780 ( 7.693 9.115 -2.405) 12.168 4.987 ( -8.344 12.531 -13.614) 20.297 5.254 ( -13.842 7.535 -0.153) 15.761 5.413 ( -9.539 -1.415 -1.456) 9.753 6.204 ( -1.523 8.047 15.950) 17.930 6.364 ( 5.784 -2.293 18.912) 19.909 6.842 ( -4.263 -3.000 9.874) 11.165 7.451 ( -0.152 -2.356 9.980) 10.255 7.821 ( -6.145 3.842 -13.939) 15.711 8.320 ( -2.415 -2.255 -4.347) 5.460 8.936 ( 4.507 -19.804 11.403) 23.293 10.156 ( 9.245 -10.045 -20.247) 24.419 11.113 ( 1.295 -5.609 -0.069) 5.757 11.198 ( -0.308 -18.773 -3.110) 19.031 13.656 ( 2.643 -0.792 3.811) 4.705 13.774 ( -4.489 -1.706 8.580) 9.833 14.395 ( 7.682 9.696 -15.477) 19.813 14.606 ( -1.499 4.989 -8.832) 10.254 17.277 ( -3.318 -2.901 3.362) 5.543 17.584 ( 3.990 1.144 -2.727) 4.967 17.723 ( 1.461 0.716 -0.794) 1.810 17.835 ( -4.663 0.970 -5.475) 7.257 19.857 ( 2.126 -2.333 14.196) 14.543 20.468 ( 1.272 -2.720 -2.155) 3.696 28.872 ( 10.304 0.544 1.488) 10.425 29.074 ( 6.779 3.119 -2.905) 8.008 29.586 ( -16.335 3.426 5.006) 17.425 30.115 ( -18.104 2.842 -5.747) 19.205 33.963 ( 3.510 18.221 2.177) 18.683 34.612 ( 0.926 13.661 -11.593) 17.941 36.098 ( 5.368 -13.558 7.697) 16.489 36.434 ( 3.556 -7.551 -0.485) 8.361 ======================= Grid point 344 (120/215) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 0.000 14.773 16.285) 21.987 3.076 ( 0.000 27.311 19.086) 33.319 4.065 ( -0.000 -5.968 -16.868) 17.892 4.223 ( 0.000 25.871 0.088) 25.871 4.615 ( 0.000 22.176 -3.716) 22.485 4.894 ( 0.000 1.116 -17.291) 17.327 5.007 ( 0.000 9.172 -1.803) 9.348 5.359 ( -0.000 -2.313 -5.242) 5.730 6.141 ( 0.000 3.295 17.511) 17.818 6.389 ( 0.000 2.383 14.963) 15.152 6.922 ( -0.000 -13.372 10.327) 16.896 7.476 ( -0.000 -4.412 13.221) 13.938 7.705 ( 0.000 5.644 -14.419) 15.484 8.326 ( -0.000 -1.975 -1.993) 2.806 9.138 ( -0.000 -10.615 13.008) 16.789 10.385 ( -0.000 -17.137 -17.859) 24.751 11.179 ( -0.000 -4.852 -0.415) 4.870 11.412 ( -0.000 -22.299 -5.186) 22.894 13.680 ( 0.000 0.561 2.603) 2.663 13.754 ( -0.000 -2.212 7.628) 7.942 14.365 ( 0.000 8.989 -18.944) 20.969 14.533 ( 0.000 5.365 -8.246) 9.838 17.285 ( -0.000 -3.586 3.803) 5.228 17.609 ( 0.000 1.641 -2.961) 3.385 17.722 ( 0.000 1.818 -1.330) 2.253 17.784 ( 0.000 0.301 -4.359) 4.369 19.918 ( -0.000 -5.291 15.931) 16.786 20.491 ( 0.000 0.452 -1.402) 1.473 28.975 ( -0.000 -0.034 0.563) 0.564 29.099 ( 0.000 5.155 -2.246) 5.623 29.390 ( 0.000 3.912 4.915) 6.282 29.904 ( 0.000 4.545 -5.590) 7.204 33.793 ( 0.000 18.929 2.320) 19.070 34.465 ( 0.000 15.799 -13.572) 20.828 36.297 ( -0.000 -14.753 7.385) 16.498 36.550 ( -0.000 -8.925 0.695) 8.952 ======================= Grid point 351 (121/215) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.020 ( 9.295 -0.000 2.808) 9.710 4.182 ( 5.601 -0.000 -5.276) 7.695 4.433 ( -16.543 0.000 13.908) 21.613 4.585 ( 20.213 -0.000 -6.360) 21.190 5.272 ( 1.979 -0.000 9.629) 9.831 5.458 ( -16.648 0.000 6.859) 18.005 6.014 ( -8.499 0.000 5.727) 10.248 6.167 ( -45.492 0.000 0.230) 45.493 6.446 ( -2.257 0.000 -9.357) 9.625 6.809 ( -12.110 0.000 -3.765) 12.682 7.122 ( 12.954 -0.000 -2.779) 13.249 7.296 ( 0.977 -0.000 -7.950) 8.010 8.005 ( -2.469 0.000 -3.008) 3.891 8.236 ( -8.222 0.000 12.493) 14.956 8.424 ( -0.194 0.000 -1.726) 1.737 9.440 ( 9.685 -0.000 -6.530) 11.681 10.839 ( -9.235 0.000 -0.355) 9.242 10.894 ( -1.364 0.000 -0.745) 1.554 13.375 ( 4.979 -0.000 9.159) 10.425 14.061 ( -7.979 0.000 7.824) 11.175 14.255 ( 8.654 -0.000 -10.600) 13.684 14.715 ( 3.260 -0.000 -3.429) 4.732 17.480 ( -2.591 0.000 -0.832) 2.721 17.481 ( 0.791 -0.000 -0.532) 0.954 17.606 ( 0.920 -0.000 1.824) 2.043 17.997 ( 1.009 -0.000 -7.307) 7.376 19.929 ( 0.601 -0.000 1.480) 1.598 20.015 ( 4.051 -0.000 0.968) 4.165 28.467 ( 4.717 -0.000 2.188) 5.200 28.751 ( 5.698 -0.000 -3.533) 6.704 30.629 ( -17.384 0.000 4.647) 17.995 31.210 ( -19.763 0.000 -7.623) 21.182 34.014 ( 16.764 -0.000 1.817) 16.863 34.712 ( 14.829 -0.000 -11.635) 18.848 35.585 ( -7.667 0.000 8.877) 11.729 35.918 ( 6.076 -0.000 1.560) 6.273 ======================= Grid point 352 (122/215) ======================= q-point: (-0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.089 ( -3.215 9.616 11.540) 15.361 4.218 ( 0.535 -1.323 6.677) 6.827 4.242 ( -2.978 -0.631 -3.869) 4.923 4.742 ( -2.246 0.598 -9.976) 10.244 5.056 ( -38.589 -1.952 -0.222) 38.639 5.320 ( -1.252 -3.297 7.447) 8.240 5.524 ( -18.020 0.557 8.072) 19.753 5.854 ( -9.639 1.189 0.902) 9.754 6.456 ( 2.082 9.031 -8.394) 12.504 6.637 ( -6.612 -0.202 -0.363) 6.625 7.242 ( -4.821 0.741 4.607) 6.709 7.314 ( 7.396 -0.701 -3.768) 8.330 7.971 ( -0.135 1.004 -6.761) 6.836 8.118 ( -9.485 -5.525 7.792) 13.461 8.408 ( -2.245 -1.214 2.568) 3.620 9.635 ( 13.703 -0.448 -10.347) 17.177 10.736 ( -6.203 -4.350 0.721) 7.610 10.897 ( 0.218 -2.123 -2.000) 2.925 13.467 ( 5.900 -0.293 9.294) 11.013 13.936 ( -7.552 -0.298 9.231) 11.931 14.388 ( 9.471 2.721 -11.194) 14.913 14.755 ( 2.582 1.653 -5.391) 6.202 17.399 ( -6.418 0.016 0.657) 6.452 17.505 ( 2.384 0.379 -1.321) 2.752 17.643 ( 2.645 -0.530 0.947) 2.859 17.988 ( -2.341 -0.342 -6.601) 7.012 19.899 ( 1.529 5.982 3.554) 7.125 20.128 ( 3.034 -7.503 -0.651) 8.119 28.571 ( 8.287 0.228 2.026) 8.535 28.857 ( 7.074 -0.410 -3.849) 8.064 30.314 ( -20.778 0.531 4.918) 21.359 30.869 ( -21.726 0.770 -6.549) 22.705 34.237 ( 13.684 5.234 1.204) 14.700 34.903 ( 10.413 3.925 -10.999) 15.646 35.518 ( -2.754 -5.041 11.236) 12.619 36.039 ( 7.390 -1.758 -1.255) 7.700 ======================= Grid point 353 (123/215) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.777 ( -24.289 10.183 6.159) 27.048 4.050 ( -17.888 6.551 9.711) 21.382 4.224 ( -6.115 0.966 -7.891) 10.029 4.508 ( -15.399 -1.118 -1.247) 15.490 4.667 ( -6.183 -8.273 -3.917) 11.046 5.303 ( -4.808 2.200 6.780) 8.598 5.443 ( -0.427 1.186 2.172) 2.511 5.739 ( -1.521 1.207 1.583) 2.505 6.318 ( -0.181 13.589 -5.078) 14.508 6.556 ( -2.929 5.810 8.847) 10.982 7.093 ( -10.897 0.966 10.107) 14.894 7.420 ( 4.221 0.987 0.076) 4.336 7.959 ( -1.476 1.540 -9.775) 10.005 8.109 ( -2.392 -14.311 0.225) 14.511 8.388 ( -3.168 -4.028 4.664) 6.930 9.862 ( 12.796 -0.630 -16.579) 20.952 10.738 ( -2.809 -9.945 1.640) 10.463 10.939 ( 0.904 -3.783 -2.052) 4.398 13.562 ( 5.170 -0.533 8.675) 10.113 13.828 ( -6.206 -0.523 10.236) 11.982 14.499 ( 9.208 4.823 -11.748) 15.686 14.759 ( 1.240 3.678 -7.613) 8.545 17.295 ( -6.656 -1.070 2.810) 7.304 17.549 ( 3.752 0.781 -2.251) 4.445 17.690 ( 2.255 -0.566 -0.334) 2.349 17.932 ( -4.601 -0.014 -5.950) 7.522 19.869 ( 1.718 4.621 6.270) 7.976 20.252 ( 2.131 -7.867 -1.767) 8.340 28.722 ( 10.681 0.702 1.854) 10.863 28.984 ( 7.987 -0.319 -3.665) 8.793 29.968 ( -20.381 1.440 5.132) 21.066 30.507 ( -21.320 1.437 -5.892) 22.165 34.337 ( 8.835 10.127 0.743) 13.460 34.946 ( 4.431 9.754 -8.744) 13.829 35.615 ( 3.090 -11.441 10.000) 15.506 36.180 ( 6.470 -3.240 -2.368) 7.614 ======================= Grid point 354 (124/215) ======================= q-point: (-0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( -31.854 8.236 3.125) 33.050 3.781 ( -3.594 13.563 19.488) 24.014 4.033 ( -13.238 -1.800 -15.281) 20.298 4.451 ( 1.363 0.938 -3.194) 3.598 4.722 ( 0.021 -8.424 -3.807) 9.245 5.209 ( -3.883 0.982 4.226) 5.822 5.364 ( -2.065 5.584 -0.864) 6.015 5.636 ( -2.823 19.302 -5.102) 20.164 6.279 ( 4.723 1.390 9.693) 10.871 6.439 ( -1.119 6.849 15.497) 16.979 6.894 ( -8.047 5.752 10.050) 14.101 7.423 ( -2.384 -0.601 4.992) 5.565 7.907 ( -1.153 4.032 -12.712) 13.386 8.244 ( 0.065 -6.693 -7.993) 10.426 8.460 ( -0.203 -20.027 10.357) 22.548 10.039 ( 7.330 -2.002 -21.251) 22.568 10.846 ( -0.436 -14.487 1.305) 14.552 11.002 ( 1.046 -4.951 -1.217) 5.205 13.638 ( 3.268 -0.640 7.602) 8.299 13.750 ( -4.121 -0.659 10.225) 11.043 14.577 ( 7.560 6.457 -12.531) 15.997 14.713 ( -1.136 5.307 -10.037) 11.410 17.221 ( -4.274 -2.233 4.618) 6.677 17.606 ( 4.295 0.986 -3.258) 5.480 17.724 ( 1.243 -0.441 -1.222) 1.798 17.850 ( -4.927 0.450 -5.073) 7.086 19.857 ( 1.263 2.239 9.252) 9.602 20.358 ( 1.155 -7.100 -2.169) 7.514 28.885 ( 9.737 0.738 1.768) 9.924 29.112 ( 7.774 0.707 -3.069) 8.387 29.650 ( -15.645 2.517 4.998) 16.616 30.176 ( -15.912 2.658 -5.685) 17.105 34.313 ( 4.190 14.064 0.836) 14.699 34.874 ( 1.413 11.759 -6.991) 13.753 35.811 ( 3.555 -13.703 7.522) 16.031 36.305 ( 3.698 -4.615 -2.341) 6.361 ======================= Grid point 355 (125/215) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 0.000 10.000 8.197) 12.930 3.581 ( 0.000 20.051 19.288) 27.822 3.949 ( -0.000 -4.899 -18.014) 18.668 4.450 ( 0.000 3.211 -4.553) 5.571 4.811 ( -0.000 -7.408 -7.518) 10.554 5.162 ( 0.000 3.700 1.512) 3.997 5.288 ( 0.000 32.822 -7.210) 33.605 5.320 ( 0.000 0.483 0.322) 0.580 6.269 ( 0.000 6.738 15.695) 17.080 6.425 ( 0.000 1.070 19.251) 19.281 6.783 ( 0.000 0.656 8.555) 8.580 7.408 ( -0.000 -2.130 7.381) 7.682 7.837 ( 0.000 6.436 -13.790) 15.218 8.275 ( -0.000 -2.660 -5.779) 6.362 8.728 ( -0.000 -25.445 10.068) 27.364 10.141 ( -0.000 -6.043 -21.847) 22.668 11.009 ( -0.000 -16.649 -0.696) 16.664 11.068 ( -0.000 -5.574 -0.423) 5.590 13.675 ( -0.000 -0.566 5.849) 5.876 13.720 ( -0.000 -1.090 9.552) 9.614 14.577 ( 0.000 10.216 -15.694) 18.726 14.631 ( 0.000 3.802 -9.307) 10.054 17.214 ( -0.000 -3.040 5.112) 5.948 17.640 ( 0.000 1.294 -3.838) 4.050 17.738 ( -0.000 -0.217 -1.424) 1.440 17.793 ( 0.000 0.626 -4.431) 4.475 19.858 ( -0.000 -0.329 12.130) 12.134 20.434 ( -0.000 -5.411 -2.155) 5.824 28.974 ( 0.000 0.142 1.651) 1.657 29.178 ( 0.000 2.314 -2.863) 3.681 29.468 ( 0.000 3.355 5.085) 6.092 29.996 ( 0.000 3.996 -5.702) 6.963 34.181 ( 0.000 17.083 1.435) 17.143 34.756 ( 0.000 12.448 -8.075) 14.838 35.992 ( -0.000 -14.330 6.644) 15.795 36.392 ( -0.000 -6.073 -1.658) 6.295 ======================= Grid point 364 (126/215) ======================= q-point: ( 0.42 -0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.886 ( -31.328 0.000 4.458) 31.643 4.140 ( -12.647 0.000 19.021) 22.842 4.232 ( -6.294 0.000 -6.223) 8.851 4.494 ( -13.544 0.000 1.348) 13.611 4.538 ( -9.025 0.000 -11.203) 14.386 5.330 ( -10.016 0.000 8.038) 12.842 5.453 ( 8.508 -0.000 3.304) 9.127 5.748 ( -0.432 0.000 1.503) 1.563 6.534 ( -3.585 0.000 1.073) 3.742 6.635 ( 7.628 -0.000 -6.133) 9.788 7.028 ( -16.755 0.000 5.088) 17.510 7.437 ( 3.693 -0.000 0.750) 3.768 7.949 ( -5.367 0.000 7.743) 9.421 7.986 ( 1.137 -0.000 -8.740) 8.814 8.347 ( -4.231 0.000 1.850) 4.617 9.857 ( 13.251 -0.000 -15.062) 20.061 10.629 ( -3.986 0.000 1.987) 4.454 10.896 ( 0.793 -0.000 -3.287) 3.381 13.558 ( 5.324 -0.000 10.140) 11.453 13.823 ( -6.060 0.000 10.787) 12.373 14.549 ( 8.543 -0.000 -11.582) 14.391 14.802 ( 1.932 -0.000 -7.472) 7.718 17.283 ( -7.183 0.000 3.120) 7.831 17.558 ( 3.813 -0.000 -2.471) 4.544 17.682 ( 2.301 -0.000 -0.430) 2.341 17.931 ( -4.361 0.000 -5.452) 6.981 19.952 ( 0.660 -0.000 2.542) 2.626 20.132 ( 2.869 -0.000 0.153) 2.873 28.730 ( 10.866 -0.000 1.658) 10.992 28.978 ( 8.164 -0.000 -3.532) 8.896 29.983 ( -20.109 0.000 5.111) 20.748 30.523 ( -21.089 0.000 -6.008) 21.928 34.448 ( 8.704 -0.000 -0.268) 8.708 35.084 ( 8.060 -0.000 -10.900) 13.556 35.456 ( -0.389 0.000 14.075) 14.081 36.146 ( 6.629 -0.000 -2.881) 7.228 ======================= Grid point 366 (127/215) ======================= q-point: (-0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.261 ( -33.620 2.600 0.098) 33.720 3.965 ( -9.925 3.678 3.842) 11.260 4.019 ( -9.099 0.394 12.015) 15.077 4.447 ( 0.678 -0.397 -2.272) 2.404 4.570 ( 3.091 -4.405 -5.697) 7.837 5.191 ( -6.763 -0.881 7.706) 10.290 5.454 ( -2.932 2.304 0.086) 3.730 5.889 ( 13.973 3.440 3.139) 14.729 6.456 ( -0.227 9.311 -1.409) 9.420 6.566 ( -7.414 11.453 11.055) 17.560 6.893 ( -6.091 -9.937 -0.746) 11.679 7.417 ( -4.057 -0.034 2.413) 4.720 7.968 ( 3.201 0.107 -3.025) 4.406 8.021 ( 2.644 -5.784 2.030) 6.676 8.276 ( -5.820 -2.220 -2.281) 6.634 10.030 ( 7.706 0.278 -19.901) 21.342 10.616 ( -1.485 -6.166 3.027) 7.027 10.920 ( 0.669 -2.336 -3.519) 4.276 13.631 ( 3.630 -0.066 10.408) 11.023 13.743 ( -3.968 -0.119 11.384) 12.056 14.657 ( 5.759 1.606 -11.191) 12.688 14.809 ( 0.574 2.823 -10.159) 10.559 17.188 ( -4.684 -0.840 5.341) 7.153 17.623 ( 4.217 0.465 -3.604) 5.567 17.713 ( 1.245 -0.383 -1.438) 1.941 17.855 ( -4.735 0.073 -4.479) 6.518 19.935 ( 0.617 4.073 4.093) 5.807 20.205 ( 1.374 -6.043 -0.674) 6.234 28.900 ( 9.493 0.488 1.551) 9.632 29.115 ( 8.241 -0.169 -2.938) 8.750 29.687 ( -15.326 0.920 5.014) 16.152 30.217 ( -15.133 1.039 -5.771) 16.229 34.519 ( 3.835 5.046 -0.721) 6.379 35.117 ( 3.194 10.271 -7.793) 13.283 35.536 ( 1.910 -11.075 11.555) 16.119 36.241 ( 3.858 -1.522 -3.293) 5.296 ======================= Grid point 367 (128/215) ======================= q-point: (-0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 318 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 0.000 4.880 3.108) 5.786 3.867 ( -0.000 -2.809 -18.328) 18.542 3.901 ( 0.000 9.942 28.200) 29.901 4.463 ( -0.000 -0.865 -2.295) 2.452 4.650 ( -0.000 -6.055 -5.281) 8.034 5.152 ( -0.000 -2.152 6.869) 7.198 5.392 ( 0.000 3.938 0.052) 3.939 5.892 ( 0.000 21.700 -6.353) 22.610 6.358 ( 0.000 5.394 3.304) 6.326 6.439 ( 0.000 0.366 22.843) 22.846 6.882 ( 0.000 2.774 1.863) 3.342 7.379 ( -0.000 -0.766 3.415) 3.500 7.957 ( 0.000 4.566 -11.165) 12.063 8.221 ( -0.000 -18.940 13.764) 23.413 8.223 ( -0.000 -2.109 -10.520) 10.730 10.089 ( 0.000 0.021 -22.201) 22.201 10.703 ( -0.000 -11.627 2.840) 11.969 10.962 ( -0.000 -4.200 -2.588) 4.933 13.669 ( 0.000 0.013 9.942) 9.942 13.705 ( -0.000 -0.396 10.729) 10.737 14.691 ( 0.000 1.949 -9.945) 10.134 14.759 ( 0.000 6.468 -12.953) 14.478 17.163 ( -0.000 -1.750 6.078) 6.325 17.662 ( 0.000 0.716 -4.449) 4.506 17.727 ( -0.000 -0.496 -1.758) 1.826 17.804 ( 0.000 0.278 -3.753) 3.764 19.898 ( 0.000 3.709 6.586) 7.559 20.289 ( -0.000 -7.550 -1.538) 7.705 28.982 ( 0.000 0.538 1.708) 1.791 29.202 ( 0.000 0.240 -2.994) 3.003 29.525 ( 0.000 1.923 5.220) 5.563 30.065 ( 0.000 2.333 -5.802) 6.254 34.472 ( 0.000 9.732 -0.317) 9.737 35.015 ( 0.000 12.452 -5.244) 13.511 35.692 ( -0.000 -13.949 8.027) 16.094 36.296 ( -0.000 -2.997 -3.057) 4.281 ======================= Grid point 379 (129/215) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 179 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -0.000 -0.000 1.354) 1.354 3.836 ( -0.000 -0.000 -18.352) 18.352 3.999 ( -0.000 -0.000 37.274) 37.274 4.456 ( -0.000 -0.000 -3.460) 3.460 4.582 ( 0.000 0.000 -7.243) 7.243 5.125 ( -0.000 -0.000 8.604) 8.604 5.437 ( -0.000 -0.000 -0.081) 0.081 6.079 ( -0.000 -0.000 2.804) 2.804 6.443 ( -0.000 -0.000 24.159) 24.159 6.597 ( -0.000 -0.000 -12.480) 12.480 6.772 ( 0.000 0.000 -4.372) 4.372 7.372 ( -0.000 -0.000 2.098) 2.098 8.010 ( -0.000 -0.000 -8.211) 8.211 8.028 ( 0.000 0.000 21.085) 21.085 8.198 ( -0.000 -0.000 -14.192) 14.192 10.097 ( -0.000 -0.000 -21.236) 21.236 10.570 ( 0.000 0.000 3.576) 3.576 10.912 ( -0.000 -0.000 -4.192) 4.192 13.670 ( -0.000 -0.000 11.766) 11.766 13.701 ( -0.000 -0.000 11.122) 11.122 14.712 ( -0.000 -0.000 -10.157) 10.157 14.830 ( -0.000 -0.000 -11.935) 11.935 17.144 ( -0.000 -0.000 6.435) 6.435 17.670 ( -0.000 -0.000 -4.668) 4.668 17.722 ( -0.000 -0.000 -1.824) 1.824 17.806 ( -0.000 -0.000 -3.424) 3.424 19.964 ( -0.000 -0.000 3.059) 3.059 20.181 ( -0.000 -0.000 -0.077) 0.077 28.989 ( -0.000 -0.000 1.550) 1.550 29.202 ( 0.000 0.000 -2.930) 2.930 29.545 ( -0.000 -0.000 5.273) 5.273 30.090 ( -0.000 -0.000 -5.843) 5.843 34.575 ( 0.000 0.000 -1.074) 1.074 35.216 ( -0.000 -0.000 -11.575) 11.575 35.476 ( 0.000 0.000 15.950) 15.950 36.265 ( -0.000 -0.000 -3.521) 3.521 ======================= Grid point 447 (130/215) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 0.000 0.000 40.126) 40.126 2.527 ( 0.000 0.000 42.439) 42.439 2.948 ( 0.000 0.000 37.051) 37.051 3.941 ( 0.000 0.000 -34.279) 34.279 4.015 ( 0.000 0.000 -31.941) 31.941 4.044 ( 0.000 0.000 -15.849) 15.849 4.510 ( 0.000 0.000 5.267) 5.267 4.915 ( 0.000 0.000 -18.142) 18.142 6.584 ( 0.000 0.000 18.185) 18.185 6.848 ( 0.000 0.000 21.263) 21.263 7.256 ( 0.000 0.000 -15.942) 15.942 7.815 ( 0.000 0.000 -26.903) 26.903 8.125 ( 0.000 0.000 13.771) 13.771 8.375 ( 0.000 0.000 0.141) 0.141 9.117 ( 0.000 0.000 17.368) 17.368 9.697 ( 0.000 0.000 -11.527) 11.527 12.568 ( 0.000 0.000 4.878) 4.878 12.744 ( 0.000 0.000 -4.276) 4.276 13.603 ( 0.000 0.000 8.033) 8.033 13.914 ( 0.000 0.000 -7.610) 7.610 13.987 ( 0.000 0.000 2.360) 2.360 14.125 ( 0.000 0.000 -4.399) 4.399 17.471 ( 0.000 0.000 0.829) 0.829 17.502 ( 0.000 0.000 -0.728) 0.728 17.554 ( 0.000 0.000 0.090) 0.090 17.583 ( 0.000 0.000 -1.232) 1.232 20.171 ( 0.000 0.000 5.122) 5.122 20.355 ( 0.000 0.000 -3.970) 3.970 28.803 ( 0.000 0.000 -0.069) 0.069 28.805 ( 0.000 0.000 -0.201) 0.201 29.337 ( 0.000 0.000 6.286) 6.286 29.604 ( 0.000 0.000 -6.865) 6.865 33.093 ( 0.000 0.000 2.447) 2.447 33.218 ( 0.000 0.000 -3.796) 3.796 36.989 ( 0.000 0.000 6.905) 6.905 37.244 ( 0.000 0.000 -5.709) 5.709 ======================= Grid point 448 (131/215) ======================= q-point: ( 0.08 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -4.587 -1.953 37.561) 37.890 2.540 ( 4.199 -13.975 37.172) 39.934 3.383 ( 36.588 -5.086 31.709) 48.683 3.709 ( -15.101 0.422 -26.598) 30.589 3.992 ( 2.627 -5.178 -31.095) 31.632 4.428 ( 27.042 3.177 -15.645) 31.403 4.670 ( 16.062 -5.695 2.491) 17.223 5.049 ( 13.982 -3.361 -18.252) 23.236 6.649 ( 7.282 -0.399 19.667) 20.975 6.778 ( -1.964 4.272 22.177) 22.670 7.445 ( 17.993 2.095 -19.126) 26.343 7.755 ( -0.413 10.815 -23.035) 25.451 8.095 ( -1.548 2.945 13.365) 13.772 8.311 ( -6.459 -1.474 3.007) 7.276 9.162 ( 0.957 -3.789 11.226) 11.887 9.709 ( -8.095 -13.893 -14.221) 21.466 12.355 ( -13.822 17.391 4.865) 22.742 12.524 ( -15.189 11.728 -4.001) 19.603 13.576 ( -3.292 -1.683 7.799) 8.631 13.890 ( -1.913 0.017 -7.982) 8.208 14.068 ( 8.993 1.877 3.577) 9.858 14.236 ( 9.889 -0.636 -4.631) 10.938 17.421 ( -4.565 0.163 1.147) 4.710 17.481 ( -2.536 -0.683 -1.710) 3.134 17.576 ( 0.619 -2.922 0.121) 2.989 17.595 ( -0.178 -1.700 -0.702) 1.848 20.173 ( -2.729 -4.375 3.929) 6.483 20.287 ( -7.036 0.449 -1.041) 7.127 28.747 ( -5.925 -1.563 0.350) 6.137 28.768 ( -4.964 -2.154 -0.641) 5.449 29.531 ( 20.672 -0.864 7.106) 21.877 29.895 ( 31.549 0.113 -12.368) 33.887 33.111 ( -0.759 -4.901 2.629) 5.613 33.257 ( -1.158 -8.785 -4.888) 10.120 36.922 ( -5.840 3.572 6.166) 9.213 37.110 ( -11.580 5.779 -2.097) 13.111 ======================= Grid point 449 (132/215) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 9.476 -10.851 26.240) 29.935 2.826 ( 8.120 -18.891 29.912) 36.298 3.532 ( -7.785 -2.998 -24.933) 26.292 3.945 ( 15.118 -3.092 -12.072) 19.593 4.244 ( 30.337 -6.339 8.006) 32.010 4.844 ( 30.610 4.229 -7.569) 31.814 5.101 ( 26.214 -8.516 -1.005) 27.581 5.394 ( 20.906 -5.887 -16.031) 26.995 6.704 ( 2.524 7.407 24.607) 25.822 6.833 ( 10.336 -2.241 21.669) 24.112 7.543 ( -5.972 9.189 -6.476) 12.729 7.664 ( 8.812 9.954 -21.543) 25.315 8.020 ( -2.878 4.771 11.390) 12.680 8.282 ( 2.501 -0.685 -4.114) 4.863 9.168 ( -5.973 -3.771 4.899) 8.596 9.682 ( -16.038 -14.718 -20.024) 29.577 11.867 ( -16.146 22.306 6.905) 28.389 12.128 ( -15.494 14.051 -6.660) 21.951 13.543 ( -3.407 -2.207 7.015) 8.105 13.851 ( -2.573 0.868 -8.562) 8.982 14.192 ( 9.394 3.803 5.366) 11.468 14.381 ( 7.504 0.773 -3.983) 8.530 17.365 ( -2.203 -1.172 0.932) 2.664 17.447 ( -2.472 -1.010 -2.504) 3.661 17.609 ( -0.551 -2.112 0.301) 2.204 17.626 ( 0.264 -4.848 -0.895) 4.937 20.135 ( -8.102 -1.187 4.403) 9.297 20.196 ( -4.162 -5.269 0.341) 6.723 28.671 ( -5.229 -1.379 0.941) 5.489 28.717 ( -4.606 -2.880 -1.412) 5.613 29.941 ( 27.481 -0.568 9.165) 28.975 30.450 ( 36.550 4.662 -18.171) 41.084 33.175 ( -0.469 -9.000 2.667) 9.399 33.362 ( -1.418 -15.047 -7.605) 16.919 36.727 ( -11.482 7.376 5.869) 14.855 36.819 ( -14.065 6.165 2.520) 15.562 ======================= Grid point 450 (133/215) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 16.978 -15.170 14.223) 26.846 3.168 ( 9.743 -18.286 21.128) 29.592 3.519 ( -0.708 -7.146 -18.199) 19.564 4.081 ( 3.535 -2.630 -23.487) 23.897 4.890 ( 36.606 -3.180 14.308) 39.432 5.318 ( 31.176 2.603 -6.036) 31.861 5.651 ( 29.176 -9.472 -0.603) 30.681 5.797 ( 21.511 -4.999 -9.006) 23.850 6.653 ( 2.844 10.456 26.586) 28.709 7.018 ( 6.840 -3.203 20.737) 22.069 7.314 ( -9.023 6.426 5.801) 12.504 7.644 ( 2.646 10.795 -18.238) 21.358 7.900 ( -5.983 3.866 9.295) 11.711 8.356 ( 5.798 3.054 -10.762) 12.600 9.046 ( -13.426 -2.803 0.944) 13.748 9.467 ( -21.475 -3.672 -21.942) 30.921 11.468 ( -9.101 13.413 6.457) 17.447 11.766 ( -11.370 12.577 -8.639) 19.029 13.510 ( -3.557 -2.153 5.935) 7.247 13.787 ( -3.275 2.185 -8.050) 8.961 14.280 ( 6.951 4.549 5.921) 10.201 14.464 ( 4.143 0.724 -3.156) 5.258 17.382 ( 2.103 -1.673 0.068) 2.689 17.432 ( -0.697 -1.115 -1.475) 1.976 17.621 ( -0.899 -2.164 0.837) 2.488 17.683 ( 0.039 -5.357 -2.931) 6.107 20.015 ( -6.958 -0.242 7.662) 10.353 20.201 ( -3.581 -6.379 -2.781) 7.826 28.608 ( -3.874 -0.418 1.515) 4.181 28.676 ( -4.310 -2.927 -1.959) 5.566 30.381 ( 26.070 0.659 10.191) 27.998 30.905 ( 27.895 8.583 -16.571) 33.562 33.276 ( -0.012 -10.271 2.825) 10.653 33.524 ( 0.121 -17.249 -11.320) 20.632 36.430 ( -13.223 7.932 8.582) 17.647 36.558 ( -11.656 5.121 1.508) 12.820 ======================= Grid point 451 (134/215) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( 12.669 -12.874 6.897) 19.334 3.525 ( 10.757 -14.656 5.521) 19.000 3.648 ( 6.876 -9.905 -3.896) 12.672 4.166 ( 4.724 -1.903 -17.366) 18.097 5.415 ( 23.186 -3.168 7.929) 24.708 5.726 ( 20.873 0.964 -5.091) 21.507 6.145 ( 18.745 -1.986 4.546) 19.390 6.224 ( 26.247 -5.331 -1.056) 26.803 6.627 ( 8.040 4.543 21.913) 23.779 6.991 ( -9.175 5.339 15.533) 18.814 7.213 ( -0.847 -0.261 3.243) 3.362 7.535 ( 2.206 17.043 -9.041) 19.419 7.779 ( -6.677 -1.703 4.429) 8.192 8.359 ( -2.056 3.341 -11.207) 11.873 8.787 ( -18.567 1.222 0.722) 18.621 9.192 ( -11.922 -0.705 -18.912) 22.367 11.273 ( -4.190 5.254 3.979) 7.810 11.505 ( -7.265 8.662 -7.763) 13.715 13.475 ( -3.366 -1.868 4.673) 6.054 13.708 ( -2.960 2.873 -7.105) 8.216 14.326 ( 4.469 3.727 5.828) 8.236 14.507 ( 2.118 0.371 -2.894) 3.606 17.444 ( 2.654 0.100 0.878) 2.797 17.453 ( 2.271 -2.211 0.330) 3.187 17.623 ( -1.456 -1.789 0.760) 2.429 17.738 ( 0.213 -4.738 -5.973) 7.627 19.922 ( -4.696 -0.156 9.716) 10.792 20.210 ( -2.690 -4.892 -5.393) 7.762 28.555 ( -2.716 0.277 1.949) 3.354 28.640 ( -3.586 -2.349 -2.318) 4.873 30.741 ( 19.574 1.498 9.468) 21.795 31.173 ( 16.939 8.098 -11.722) 22.134 33.379 ( 0.079 -8.792 3.648) 9.519 33.711 ( 1.853 -14.327 -14.908) 20.759 36.172 ( -9.424 5.761 9.208) 14.380 36.335 ( -9.604 4.212 0.769) 10.515 ======================= Grid point 452 (135/215) ======================= q-point: ( 0.42 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( 6.970 -7.696 1.824) 10.542 3.688 ( 0.164 -4.973 -5.887) 7.708 3.979 ( 13.528 -10.179 6.122) 18.003 4.276 ( 5.762 -1.881 -8.579) 10.504 5.649 ( 4.514 1.023 12.515) 13.343 6.021 ( 14.434 -4.999 0.473) 15.283 6.327 ( 7.374 -1.233 15.433) 17.149 6.649 ( 17.766 -2.015 1.646) 17.956 6.747 ( -7.586 5.986 4.588) 10.698 6.817 ( 5.513 -2.559 0.839) 6.136 7.123 ( -2.249 12.144 0.358) 12.355 7.466 ( 12.027 10.375 -3.248) 16.212 7.707 ( -6.768 -4.442 -0.543) 8.114 8.155 ( -19.353 2.590 -15.786) 25.109 8.587 ( -3.424 -0.645 9.770) 10.373 9.090 ( -3.610 -1.081 -14.320) 14.807 11.192 ( -1.818 1.644 2.188) 3.285 11.346 ( -3.932 4.500 -5.684) 8.247 13.445 ( -2.233 -1.135 3.645) 4.422 13.643 ( -1.594 2.048 -6.535) 7.032 14.349 ( 2.219 2.058 5.599) 6.365 14.528 ( 0.912 0.149 -2.871) 3.016 17.478 ( 1.561 -0.462 4.006) 4.324 17.515 ( 2.901 -0.344 1.169) 3.147 17.611 ( -1.865 -1.207 -0.002) 2.222 17.785 ( 0.412 -2.869 -9.031) 9.485 19.867 ( -2.340 -0.068 10.867) 11.116 20.216 ( -1.415 -2.590 -7.038) 7.632 28.517 ( -1.454 0.370 2.222) 2.681 28.613 ( -2.081 -1.300 -2.560) 3.546 30.970 ( 10.443 1.158 7.995) 13.203 31.300 ( 7.603 4.606 -7.780) 11.813 33.455 ( 0.081 -5.067 4.662) 6.886 33.863 ( 1.759 -7.935 -17.361) 19.169 36.011 ( -4.679 3.081 8.655) 10.310 36.174 ( -5.601 2.345 0.989) 6.152 ======================= Grid point 453 (136/215) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.636 ( 0.000 -0.000 -1.518) 1.518 3.695 ( 0.000 -0.000 -4.313) 4.313 4.158 ( 0.000 -0.000 4.763) 4.763 4.343 ( 0.000 -0.000 -3.932) 3.932 5.652 ( 0.000 -0.000 19.010) 19.010 6.234 ( 0.000 -0.000 25.181) 25.181 6.375 ( 0.000 -0.000 -16.006) 16.006 6.660 ( -0.000 0.000 5.146) 5.146 6.727 ( 0.000 -0.000 -1.363) 1.363 6.895 ( 0.000 0.000 -5.369) 5.369 7.019 ( 0.000 -0.000 9.155) 9.155 7.641 ( 0.000 0.000 -12.904) 12.904 7.669 ( -0.000 -0.000 3.159) 3.159 7.863 ( 0.000 -0.000 -14.518) 14.518 8.584 ( -0.000 -0.000 11.241) 11.241 9.068 ( 0.000 -0.000 -11.983) 11.983 11.170 ( 0.000 -0.000 1.523) 1.523 11.289 ( -0.000 -0.000 -4.671) 4.671 13.432 ( 0.000 -0.000 3.262) 3.262 13.619 ( 0.000 -0.000 -6.411) 6.411 14.356 ( 0.000 -0.000 5.510) 5.510 14.535 ( 0.000 -0.000 -2.873) 2.873 17.495 ( 0.000 -0.000 5.597) 5.597 17.544 ( 0.000 -0.000 2.172) 2.172 17.598 ( 0.000 -0.000 -1.201) 1.201 17.805 ( 0.000 -0.000 -10.281) 10.281 19.849 ( 0.000 -0.000 11.243) 11.243 20.218 ( 0.000 -0.000 -7.594) 7.594 28.503 ( 0.000 -0.000 2.316) 2.316 28.603 ( 0.000 -0.000 -2.651) 2.651 31.049 ( 0.000 -0.000 7.241) 7.241 31.335 ( 0.000 -0.000 -6.307) 6.307 33.483 ( 0.000 -0.000 5.109) 5.109 33.921 ( 0.000 -0.000 -18.248) 18.248 35.957 ( 0.000 -0.000 8.282) 8.282 36.115 ( 0.000 -0.000 1.278) 1.278 ======================= Grid point 461 (137/215) ======================= q-point: ( 0.08 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 7.252 -0.000 29.690) 30.563 2.605 ( 12.573 -0.000 34.897) 37.093 3.501 ( -9.731 0.000 -25.248) 27.058 3.915 ( 16.030 -0.000 -17.787) 23.945 4.175 ( 35.347 -0.000 14.725) 38.291 4.941 ( 31.677 -0.000 -10.433) 33.351 4.963 ( 24.617 -0.000 1.996) 24.698 5.322 ( 21.085 -0.000 -19.360) 28.625 6.795 ( 2.001 -0.000 23.771) 23.855 6.799 ( 10.574 -0.000 22.234) 24.620 7.641 ( -2.502 0.000 -12.127) 12.382 7.816 ( -0.307 0.000 -22.715) 22.717 8.075 ( -2.568 0.000 11.716) 11.994 8.254 ( 6.174 -0.000 2.729) 6.750 9.173 ( 0.066 -0.000 -6.356) 6.357 9.438 ( -14.968 0.000 -12.215) 19.320 12.187 ( -18.036 0.000 0.689) 18.050 12.230 ( -24.378 0.000 -1.031) 24.400 13.520 ( -2.527 0.000 8.654) 9.015 13.861 ( -1.841 0.000 -8.127) 8.332 14.239 ( 9.948 -0.000 4.545) 10.937 14.396 ( 8.300 -0.000 -2.866) 8.781 17.349 ( -2.984 0.000 0.683) 3.061 17.430 ( -2.803 0.000 -2.625) 3.841 17.566 ( 0.372 -0.000 0.671) 0.767 17.588 ( -0.216 0.000 -0.367) 0.425 20.095 ( -3.871 0.000 3.165) 5.001 20.155 ( -8.413 0.000 1.239) 8.504 28.656 ( -4.206 0.000 0.631) 4.253 28.684 ( -4.209 0.000 -0.877) 4.299 29.935 ( 28.388 -0.000 9.581) 29.961 30.509 ( 40.133 -0.000 -22.433) 45.977 33.077 ( 0.252 -0.000 1.851) 1.868 33.188 ( -1.266 0.000 -3.613) 3.828 36.808 ( -10.346 0.000 4.919) 11.456 36.888 ( -18.049 0.000 3.359) 18.359 ======================= Grid point 462 (138/215) ======================= q-point: ( 0.17 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 18.475 -5.989 18.155) 26.586 2.888 ( 16.336 -7.274 28.434) 33.590 3.417 ( -2.046 -2.474 -20.731) 20.978 4.051 ( 6.165 -0.476 -29.769) 30.405 4.858 ( 40.652 -0.275 22.298) 46.367 5.386 ( 31.102 3.203 -1.803) 31.319 5.480 ( 29.178 -5.512 -1.821) 29.750 5.690 ( 21.451 -3.911 -15.875) 26.971 6.831 ( 4.782 5.045 25.716) 26.639 6.960 ( 6.994 -1.849 21.198) 22.399 7.406 ( -17.789 2.833 5.079) 18.716 7.792 ( -0.825 1.744 -16.949) 17.059 8.002 ( -3.423 5.267 9.355) 11.269 8.421 ( 10.079 1.500 -7.052) 12.393 9.050 ( -10.460 5.617 -11.705) 16.672 9.281 ( -15.215 -12.147 -20.821) 28.506 11.761 ( -19.043 12.083 4.077) 22.919 11.915 ( -18.310 0.460 -4.223) 18.796 13.486 ( -2.166 -0.371 8.372) 8.656 13.827 ( -1.822 1.120 -8.383) 8.651 14.366 ( 7.346 2.810 4.617) 9.120 14.482 ( 3.336 0.659 -0.708) 3.473 17.350 ( 2.430 -0.801 -0.960) 2.733 17.405 ( -0.822 -1.325 -2.379) 2.844 17.583 ( -0.112 -1.414 0.078) 1.421 17.588 ( -0.253 -2.297 -0.306) 2.331 20.016 ( -5.923 0.929 3.991) 7.202 20.074 ( -4.021 -4.766 0.520) 6.257 28.603 ( -2.783 0.026 0.546) 2.836 28.627 ( -3.848 -1.497 -0.758) 4.198 30.394 ( 27.474 0.439 11.591) 29.822 31.069 ( 30.531 5.252 -24.655) 39.593 33.129 ( 3.653 -3.176 0.528) 4.869 33.229 ( 1.184 -8.973 -4.797) 10.244 36.565 ( -16.320 4.435 7.605) 18.544 36.619 ( -13.658 0.586 3.430) 14.094 ======================= Grid point 463 (139/215) ======================= q-point: ( 0.25 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( 20.533 -8.114 8.996) 23.840 3.257 ( 18.164 -9.584 17.469) 26.962 3.488 ( 5.726 -5.314 -11.709) 14.076 4.153 ( 6.595 0.260 -24.235) 25.117 5.400 ( 27.052 1.540 12.837) 29.982 5.781 ( 19.917 4.240 -4.227) 20.798 6.014 ( 26.780 -8.423 1.801) 28.131 6.103 ( 22.877 -6.025 -3.180) 23.870 6.773 ( -4.184 7.460 24.241) 25.706 7.010 ( -5.631 -1.333 13.860) 15.020 7.212 ( 0.400 -0.390 9.543) 9.559 7.737 ( -8.048 -1.738 -0.364) 8.241 7.866 ( -0.103 12.166 -2.443) 12.409 8.485 ( 3.210 6.673 -9.064) 11.704 8.793 ( -17.251 1.671 -10.262) 20.142 9.130 ( -13.081 -5.931 -22.612) 26.788 11.406 ( -11.778 7.253 5.351) 14.831 11.631 ( -14.276 2.689 -6.436) 15.888 13.455 ( -1.869 -0.080 7.732) 7.955 13.779 ( -1.292 3.041 -8.314) 8.947 14.414 ( 3.481 4.275 4.574) 7.163 14.516 ( 1.740 0.056 -0.250) 1.758 17.408 ( 1.959 -1.493 0.060) 2.464 17.445 ( 4.698 -0.382 -1.893) 5.080 17.584 ( -1.367 -1.745 0.212) 2.226 17.633 ( 0.843 -4.462 -3.078) 5.486 19.924 ( -4.152 0.738 6.283) 7.567 20.085 ( -2.355 -6.284 -2.403) 7.128 28.558 ( -2.782 -0.005 0.835) 2.905 28.593 ( -2.500 -1.770 -0.962) 3.210 30.774 ( 20.206 1.440 11.369) 23.229 31.362 ( 15.635 8.550 -18.444) 25.646 33.237 ( 4.818 -4.177 1.166) 6.482 33.424 ( 8.080 -12.090 -10.002) 17.649 36.279 ( -12.910 4.140 9.091) 16.324 36.394 ( -12.549 1.452 2.046) 12.797 ======================= Grid point 464 (140/215) ======================= q-point: ( 0.33 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( 15.578 -4.403 4.282) 16.745 3.578 ( 8.621 -5.339 -4.537) 11.109 3.762 ( 18.498 -9.547 7.066) 21.983 4.267 ( 8.184 0.619 -15.911) 17.903 5.685 ( 10.172 3.018 10.969) 15.261 5.975 ( 9.829 0.974 -0.387) 9.885 6.305 ( 2.332 -1.116 14.832) 15.056 6.544 ( 20.719 -7.134 3.010) 22.118 6.727 ( 3.851 -4.366 6.068) 8.409 6.848 ( -11.792 2.044 2.508) 12.228 7.307 ( 5.847 5.291 6.563) 10.260 7.553 ( -11.450 -3.294 10.758) 16.053 7.792 ( 5.235 11.394 -10.150) 16.133 8.295 ( -18.757 10.987 -23.652) 32.124 8.568 ( -3.716 -1.176 7.300) 8.275 9.052 ( -2.902 -2.887 -16.197) 16.706 11.218 ( -6.681 1.326 3.750) 7.776 11.408 ( -10.725 1.251 -6.037) 12.370 13.430 ( -1.018 0.132 6.785) 6.862 13.727 ( 0.151 4.722 -8.096) 9.374 14.404 ( 0.317 2.931 4.998) 5.803 14.538 ( 1.342 0.567 -1.344) 1.982 17.453 ( 1.686 -1.558 2.805) 3.625 17.521 ( 4.317 1.006 0.517) 4.463 17.577 ( -1.655 -1.977 -0.555) 2.637 17.707 ( 2.328 -4.275 -7.360) 8.824 19.868 ( -2.049 0.461 8.294) 8.556 20.123 ( -0.972 -5.815 -4.916) 7.676 28.518 ( -2.319 -0.380 1.547) 2.813 28.582 ( -0.856 -1.290 -1.689) 2.291 31.001 ( 9.810 1.610 9.423) 13.697 31.431 ( 4.297 7.118 -11.680) 14.337 33.368 ( 6.476 -2.979 3.238) 7.829 33.692 ( 10.889 -7.876 -14.698) 19.916 36.072 ( -8.221 2.645 8.392) 12.042 36.202 ( -9.559 0.372 1.804) 9.735 ======================= Grid point 465 (141/215) ======================= q-point: ( 0.42 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.633 ( 11.485 0.092 -0.790) 11.513 3.705 ( 4.834 0.444 -4.070) 6.335 4.104 ( 11.082 -4.644 5.792) 13.339 4.377 ( 5.780 2.633 -7.039) 9.481 5.680 ( -3.090 2.706 18.863) 19.305 6.127 ( 6.112 -5.651 10.218) 13.180 6.343 ( -1.268 -4.479 5.047) 6.866 6.618 ( -8.535 0.312 -2.664) 8.947 6.795 ( -1.892 1.137 1.437) 2.633 6.878 ( 10.809 -2.349 -2.186) 11.276 7.078 ( -18.974 4.547 5.176) 20.186 7.533 ( -13.639 -5.912 -4.394) 15.501 7.793 ( 5.386 6.999 -2.903) 9.297 7.952 ( 3.267 8.639 -16.432) 18.850 8.581 ( 1.684 -0.285 10.752) 10.886 9.064 ( 1.625 -0.469 -12.262) 12.378 11.143 ( -3.724 -2.228 1.949) 4.757 11.266 ( -7.105 -2.033 -4.489) 8.647 13.425 ( 0.696 0.068 5.573) 5.617 13.690 ( 2.146 5.542 -7.870) 9.862 14.369 ( -1.927 1.106 5.629) 6.051 14.546 ( 0.588 0.948 -2.707) 2.928 17.486 ( 0.566 -0.763 4.532) 4.631 17.540 ( -1.213 -0.386 1.895) 2.283 17.593 ( 2.042 -0.276 -0.945) 2.266 17.783 ( 2.622 -1.926 -9.603) 10.139 19.848 ( 0.010 0.160 9.885) 9.886 20.172 ( 0.368 -4.227 -6.595) 7.842 28.496 ( -0.928 -0.662 2.290) 2.558 28.594 ( 0.976 -0.713 -2.570) 2.840 31.058 ( -1.035 0.803 7.583) 7.695 31.377 ( -3.451 3.640 -7.808) 9.281 33.494 ( 7.408 1.025 5.030) 9.012 33.910 ( 9.750 -0.984 -17.058) 19.672 35.959 ( -3.936 0.205 7.732) 8.679 36.095 ( -4.322 -1.816 1.719) 4.993 ======================= Grid point 466 (142/215) ======================= q-point: (-0.50 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.691 ( 1.392 7.709 -0.854) 7.880 3.787 ( 7.581 4.498 -5.175) 10.222 4.160 ( -2.985 6.491 5.558) 9.052 4.355 ( -2.495 5.639 -3.758) 7.221 5.631 ( -1.807 -0.561 16.043) 16.154 6.136 ( -13.058 3.807 8.873) 16.240 6.318 ( -8.049 -3.222 -1.107) 8.740 6.524 ( -9.295 -10.048 9.118) 16.446 6.708 ( -18.764 -0.108 0.529) 18.772 6.840 ( 9.165 -1.631 -2.453) 9.627 6.914 ( -10.597 -1.847 -0.529) 10.770 7.310 ( -9.887 -5.625 -11.671) 16.297 7.817 ( 5.885 5.403 2.597) 8.401 8.142 ( 16.266 0.796 -11.497) 19.935 8.600 ( 1.867 0.668 12.046) 12.208 9.110 ( 4.466 0.955 -12.475) 13.285 11.134 ( -1.699 -3.959 1.212) 4.475 11.229 ( -2.933 -6.285 -3.793) 7.905 13.454 ( 2.871 0.020 4.285) 5.157 13.682 ( 4.028 5.359 -7.440) 10.015 14.321 ( -3.686 -0.650 6.335) 7.358 14.537 ( -0.420 0.985 -3.951) 4.094 17.480 ( -1.767 -0.049 3.696) 4.097 17.519 ( -1.621 -0.212 0.941) 1.886 17.628 ( 2.240 0.438 0.779) 2.412 17.823 ( 1.454 0.745 -9.290) 9.432 19.865 ( 2.066 -0.187 10.891) 11.087 20.222 ( 1.677 -2.075 -7.252) 7.728 28.504 ( 1.058 -0.800 2.835) 3.130 28.628 ( 2.847 0.107 -3.306) 4.364 30.957 ( -10.844 -0.097 7.134) 12.980 31.250 ( -10.100 -0.208 -6.867) 12.215 33.575 ( 7.033 6.112 5.755) 10.952 34.016 ( 6.921 6.460 -17.501) 19.898 35.945 ( 0.573 -3.059 8.179) 8.751 36.105 ( 1.531 -4.117 0.843) 4.473 ======================= Grid point 467 (143/215) ======================= q-point: (-0.42 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.548 ( -5.370 14.043 3.772) 15.500 3.796 ( 2.612 10.173 -7.716) 13.032 3.925 ( -8.371 15.927 7.094) 19.341 4.241 ( -2.859 5.139 -9.040) 10.784 5.517 ( -15.650 5.524 3.781) 17.021 5.735 ( -27.000 1.932 -4.736) 27.480 6.105 ( -17.335 -4.820 12.612) 21.972 6.280 ( -26.042 0.231 -0.220) 26.044 6.618 ( -12.903 0.398 11.175) 17.074 6.747 ( 2.865 -14.272 12.778) 19.369 7.157 ( 13.451 -9.181 -3.322) 16.622 7.297 ( -0.490 -1.259 -6.338) 6.480 7.830 ( 1.086 3.105 4.257) 5.380 8.330 ( 4.794 -0.827 -11.182) 12.194 8.719 ( 13.366 -4.255 7.798) 16.048 9.200 ( 8.935 0.697 -15.390) 17.810 11.168 ( -0.081 -5.216 1.664) 5.475 11.298 ( 0.380 -10.398 -5.002) 11.545 13.511 ( 4.411 0.846 3.324) 5.587 13.709 ( 5.377 3.925 -7.046) 9.693 14.264 ( -5.182 -2.134 6.957) 8.933 14.511 ( -1.672 0.829 -4.980) 5.318 17.443 ( -2.384 0.126 1.865) 3.030 17.488 ( -1.719 0.919 -0.071) 1.950 17.654 ( 1.814 1.039 1.733) 2.715 17.817 ( 0.216 2.660 -7.354) 7.823 19.919 ( 4.128 -0.560 11.161) 11.913 20.268 ( 2.881 0.347 -6.802) 7.395 28.546 ( 3.201 -0.546 2.998) 4.420 28.680 ( 4.337 1.246 -3.642) 5.799 30.719 ( -18.709 -0.452 7.835) 20.289 31.051 ( -17.266 -3.395 -8.101) 19.372 33.589 ( 5.769 10.757 5.527) 13.399 34.002 ( 4.380 12.939 -16.454) 21.385 36.044 ( 5.457 -6.273 8.813) 12.116 36.223 ( 6.021 -6.196 -0.107) 8.640 ======================= Grid point 468 (144/215) ======================= q-point: (-0.33 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( -13.160 18.545 9.614) 24.688 3.606 ( -3.000 21.917 9.460) 24.059 3.711 ( -0.708 10.853 -11.214) 15.622 4.169 ( -0.023 5.593 -14.289) 15.345 4.990 ( -35.154 5.881 5.540) 36.071 5.290 ( -30.102 0.127 -8.334) 31.234 5.808 ( -24.757 3.293 0.410) 24.979 5.873 ( -20.672 2.216 -2.632) 20.957 6.482 ( -3.532 -3.472 22.944) 23.472 6.959 ( 0.126 -14.346 17.131) 22.345 7.208 ( -5.732 2.377 4.133) 7.455 7.452 ( 8.589 -7.574 -4.010) 12.133 7.831 ( 0.659 -2.003 1.186) 2.419 8.327 ( -4.029 -0.224 -11.404) 12.097 9.050 ( 16.853 -4.568 5.458) 18.294 9.439 ( 19.815 -4.143 -17.409) 26.700 11.245 ( 1.399 -8.024 3.131) 8.725 11.457 ( 2.850 -15.162 -7.316) 17.074 13.567 ( 4.652 2.556 3.201) 6.199 13.770 ( 5.667 1.782 -7.545) 9.603 14.197 ( -6.660 -3.098 7.336) 10.381 14.463 ( -3.328 0.752 -5.787) 6.718 17.404 ( -1.930 0.524 0.842) 2.170 17.458 ( -0.083 1.212 -1.271) 1.758 17.664 ( 1.303 1.739 1.793) 2.817 17.780 ( -0.557 3.593 -4.877) 6.083 20.009 ( 6.006 -0.954 10.480) 12.117 20.305 ( 3.739 2.858 -5.242) 7.044 28.616 ( 5.242 0.310 2.643) 5.879 28.738 ( 5.212 2.582 -3.418) 6.746 30.374 ( -24.045 0.112 8.544) 25.518 30.758 ( -24.630 -4.824 -10.343) 27.145 33.537 ( 4.121 13.970 4.906) 15.369 33.898 ( 3.072 17.513 -14.647) 23.037 36.247 ( 9.456 -9.117 8.686) 15.748 36.417 ( 8.408 -7.931 -0.184) 11.560 ======================= Grid point 469 (145/215) ======================= q-point: (-0.25 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -10.703 18.809 18.376) 28.390 3.308 ( -4.509 24.804 20.524) 32.508 3.632 ( 3.444 6.620 -22.074) 23.302 4.046 ( -12.378 6.343 -4.112) 14.504 4.421 ( -19.440 9.731 -1.858) 21.819 4.786 ( -30.967 -0.823 -9.546) 32.415 5.304 ( -25.693 10.067 0.861) 27.608 5.522 ( -19.299 5.245 -9.744) 22.247 6.522 ( -0.703 -7.956 23.686) 24.996 6.897 ( -11.214 3.235 21.946) 24.856 7.242 ( -0.189 -15.992 -5.494) 16.911 7.564 ( -2.678 -1.176 -11.490) 11.857 7.885 ( 0.355 -7.165 8.096) 10.817 8.277 ( -0.970 -0.901 -8.499) 8.601 9.276 ( 10.482 3.469 10.052) 14.931 9.852 ( 22.618 -1.116 -20.041) 30.240 11.415 ( 4.720 -17.402 6.399) 19.133 11.720 ( 5.845 -21.794 -8.387) 24.072 13.606 ( 4.101 3.411 3.845) 6.576 13.841 ( 4.431 0.719 -8.792) 9.872 14.113 ( -7.962 -3.246 7.118) 11.162 14.384 ( -5.313 1.170 -6.438) 8.428 17.383 ( 0.396 0.404 1.290) 1.409 17.465 ( 2.033 0.744 -2.224) 3.104 17.659 ( 0.746 2.343 1.144) 2.712 17.728 ( -0.853 4.001 -2.845) 4.983 20.129 ( 7.158 -1.468 8.407) 11.139 20.324 ( 3.804 5.199 -2.734) 6.998 28.706 ( 7.207 1.717 1.707) 7.603 28.791 ( 5.646 3.815 -2.571) 7.283 29.961 ( -25.340 1.413 8.286) 26.698 30.359 ( -29.973 -3.292 -11.801) 32.380 33.435 ( 2.494 15.060 4.375) 15.879 33.744 ( 2.424 19.702 -12.561) 23.491 36.523 ( 10.609 -11.254 7.135) 17.032 36.649 ( 8.867 -9.500 0.709) 13.014 ======================= Grid point 470 (146/215) ======================= q-point: (-0.17 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 1.643 13.520 29.878) 32.836 2.932 ( -11.294 20.733 29.518) 37.798 3.600 ( -17.755 15.040 17.271) 28.978 3.716 ( 7.744 1.739 -21.179) 22.617 4.165 ( -7.466 9.740 -26.606) 29.300 4.388 ( -15.830 1.293 -10.281) 18.920 4.840 ( -17.218 9.701 1.580) 19.826 5.167 ( -14.829 6.940 -14.919) 22.150 6.602 ( 0.012 -7.400 22.400) 23.591 6.701 ( -7.958 1.201 19.919) 21.484 7.393 ( -9.150 -7.193 -17.059) 20.651 7.451 ( -2.966 -10.073 -13.917) 17.434 7.984 ( 1.549 -7.049 13.938) 15.696 8.318 ( 3.391 -1.152 -3.128) 4.755 9.321 ( 3.901 9.164 15.397) 18.337 10.063 ( 10.965 13.803 -21.503) 27.806 11.789 ( 8.556 -30.927 8.688) 33.244 12.088 ( 6.740 -26.798 -6.523) 28.392 13.630 ( 3.067 3.094 4.807) 6.487 13.892 ( 2.599 0.465 -9.348) 9.713 14.016 ( -7.236 -2.392 5.783) 9.567 14.270 ( -6.059 2.568 -6.728) 9.411 17.411 ( 2.387 -0.852 1.900) 3.167 17.497 ( 2.412 0.684 -2.150) 3.303 17.636 ( -0.518 2.769 0.261) 2.829 17.676 ( 0.074 4.173 -1.823) 4.555 20.259 ( 6.021 -1.972 4.421) 7.726 20.313 ( 2.518 6.786 0.225) 7.241 28.806 ( 7.841 3.442 0.287) 8.568 28.840 ( 5.842 4.370 -1.275) 7.406 29.566 ( -19.635 2.404 7.010) 20.987 29.898 ( -26.547 0.637 -9.985) 28.370 33.311 ( 1.140 13.564 3.964) 14.177 33.570 ( 1.450 19.087 -10.184) 21.682 36.778 ( 6.004 -9.789 5.455) 12.714 36.904 ( 7.979 -12.378 0.260) 14.729 ======================= Grid point 471 (147/215) ======================= q-point: (-0.08 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 0.000 14.144 34.946) 37.700 2.586 ( 0.000 5.281 38.835) 39.193 3.194 ( 0.000 21.777 31.342) 38.164 3.926 ( 0.000 1.349 -28.223) 28.255 3.947 ( -0.000 -5.437 -28.264) 28.782 4.195 ( 0.000 11.397 -18.240) 21.508 4.600 ( 0.000 7.587 3.213) 8.239 4.973 ( 0.000 5.149 -17.088) 17.847 6.596 ( 0.000 1.209 18.006) 18.046 6.725 ( -0.000 -9.545 22.474) 24.417 7.269 ( 0.000 1.227 -16.073) 16.120 7.617 ( -0.000 -15.719 -20.342) 25.708 8.063 ( -0.000 -5.376 14.525) 15.488 8.367 ( -0.000 -1.085 -1.370) 1.747 9.239 ( 0.000 10.253 17.923) 20.649 9.959 ( 0.000 19.410 -18.309) 26.683 12.217 ( -0.000 -30.512 7.497) 31.420 12.437 ( -0.000 -25.230 -4.287) 25.592 13.631 ( 0.000 2.272 6.096) 6.505 13.915 ( 0.000 0.087 -9.162) 9.162 13.963 ( -0.000 -1.587 4.200) 4.490 14.171 ( 0.000 3.721 -5.974) 7.038 17.451 ( -0.000 -1.511 1.598) 2.200 17.513 ( 0.000 0.727 -1.442) 1.615 17.594 ( 0.000 2.996 0.144) 3.000 17.637 ( 0.000 4.134 -1.850) 4.529 20.259 ( 0.000 7.049 2.836) 7.598 20.336 ( -0.000 -1.896 -0.226) 1.910 28.836 ( 0.000 3.752 0.120) 3.754 28.866 ( 0.000 4.184 -1.304) 4.383 29.359 ( 0.000 2.056 6.325) 6.651 29.627 ( 0.000 2.180 -6.889) 7.226 33.196 ( 0.000 9.752 3.386) 10.323 33.397 ( 0.000 15.456 -7.461) 17.163 36.914 ( -0.000 -6.871 6.095) 9.185 37.110 ( -0.000 -11.623 -2.961) 11.994 ======================= Grid point 474 (148/215) ======================= q-point: ( 0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( 24.220 -0.000 9.181) 25.901 3.152 ( 19.772 -0.000 22.170) 29.706 3.431 ( 5.639 -0.000 -13.735) 14.848 4.158 ( 7.229 -0.000 -26.694) 27.655 5.434 ( 29.580 -0.000 15.469) 33.380 5.868 ( 19.326 -0.000 -2.885) 19.540 5.895 ( 28.232 -0.000 2.699) 28.361 6.003 ( 22.312 -0.000 -6.696) 23.295 6.871 ( -10.594 0.000 23.807) 26.058 6.985 ( -2.848 0.000 13.741) 14.033 7.204 ( 0.586 -0.000 10.672) 10.688 7.711 ( -9.744 0.000 3.105) 10.227 8.008 ( -0.392 0.000 -4.396) 4.413 8.544 ( 3.550 -0.000 -1.100) 3.716 8.915 ( -17.716 0.000 -30.853) 35.578 8.970 ( -7.863 0.000 -15.611) 17.480 11.517 ( -17.843 0.000 3.696) 18.222 11.634 ( -15.539 0.000 -2.948) 15.816 13.458 ( -1.274 0.000 8.761) 8.853 13.813 ( -0.634 0.000 -8.666) 8.689 14.481 ( 4.887 -0.000 2.787) 5.626 14.500 ( -0.775 0.000 2.280) 2.408 17.398 ( 1.101 -0.000 -0.713) 1.311 17.430 ( 7.010 -0.000 -4.162) 8.152 17.564 ( -1.153 0.000 0.448) 1.237 17.582 ( 0.743 -0.000 -0.707) 1.026 19.962 ( -3.183 0.000 2.654) 4.144 19.981 ( -2.614 0.000 0.987) 2.794 28.556 ( -3.680 0.000 0.383) 3.700 28.575 ( -1.196 0.000 -0.423) 1.268 30.791 ( 20.416 -0.000 12.265) 23.817 31.466 ( 14.402 -0.000 -22.766) 26.939 33.213 ( 4.461 -0.000 -1.433) 4.685 33.262 ( 13.465 -0.000 -5.058) 14.384 36.328 ( -14.650 0.000 9.018) 17.203 36.405 ( -13.415 0.000 2.614) 13.667 ======================= Grid point 475 (149/215) ======================= q-point: ( 0.25 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.341 ( 22.612 -0.521 3.119) 22.832 3.475 ( 15.471 -3.674 3.025) 16.187 3.616 ( 16.595 -3.605 3.965) 17.438 4.283 ( 8.777 0.544 -20.533) 22.336 5.775 ( 14.093 4.238 10.379) 18.008 6.042 ( 7.459 3.846 -2.200) 8.676 6.251 ( 7.837 -3.520 11.720) 14.531 6.391 ( 19.455 -5.658 6.133) 21.169 6.653 ( -5.841 -1.875 11.517) 13.049 6.871 ( -9.919 0.422 1.378) 10.023 7.361 ( 11.086 0.689 9.944) 14.909 7.493 ( -16.795 -1.658 7.168) 18.336 7.982 ( 0.934 5.348 -6.330) 8.339 8.503 ( -20.482 2.523 -14.091) 24.988 8.580 ( -1.779 5.780 -10.019) 11.703 8.967 ( 1.083 -4.336 -15.987) 16.600 11.257 ( -12.068 1.873 4.099) 12.882 11.403 ( -14.087 -1.134 -3.750) 14.622 13.442 ( -0.265 0.552 8.916) 8.937 13.805 ( 1.011 2.132 -9.088) 9.389 14.459 ( -2.191 1.832 4.384) 5.232 14.544 ( 2.407 -0.055 0.204) 2.416 17.430 ( 2.295 -0.472 1.431) 2.746 17.533 ( 1.053 -1.336 -2.852) 3.321 17.557 ( 3.389 1.881 -0.294) 3.887 17.621 ( 2.938 -3.466 -3.746) 5.889 19.901 ( -1.214 2.896 3.942) 5.040 19.996 ( -0.836 -5.615 -1.101) 5.783 28.506 ( -2.813 -0.480 1.445) 3.198 28.566 ( -0.111 -0.311 -1.465) 1.501 31.028 ( 9.248 0.763 10.581) 14.074 31.556 ( 0.806 3.660 -15.960) 16.394 33.334 ( 10.049 -0.474 1.591) 10.185 33.557 ( 18.226 -4.058 -10.887) 21.615 36.117 ( -10.267 1.423 7.993) 13.089 36.197 ( -12.159 -0.515 2.603) 12.445 ======================= Grid point 476 (150/215) ======================= q-point: ( 0.33 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.650 ( 16.679 1.487 -0.837) 16.766 3.703 ( 10.903 -0.587 -3.378) 11.430 3.987 ( 18.755 -5.692 8.172) 21.235 4.427 ( 9.626 1.674 -12.484) 15.852 5.765 ( -6.164 5.055 19.455) 21.025 6.074 ( 0.771 0.422 4.004) 4.100 6.270 ( -2.224 -1.321 11.152) 11.448 6.585 ( -8.774 -4.844 5.456) 11.411 6.758 ( 6.737 -3.675 3.032) 8.251 6.826 ( 10.796 -1.346 -7.217) 13.056 7.155 ( -21.411 2.406 0.191) 21.546 7.417 ( -15.676 -4.499 -3.408) 16.661 7.942 ( 2.243 6.443 -2.458) 7.251 8.163 ( -3.479 9.039 -15.934) 18.646 8.578 ( 1.665 0.141 8.730) 8.888 9.048 ( 4.751 -0.916 -12.722) 13.611 11.098 ( -7.506 -1.524 2.638) 8.101 11.212 ( -11.698 -2.731 -3.392) 12.482 13.441 ( 1.370 1.098 8.694) 8.870 13.804 ( 3.146 4.384 -9.507) 10.932 14.395 ( -3.656 1.188 5.876) 7.022 14.568 ( 1.236 0.940 -2.325) 2.796 17.470 ( 1.568 -0.569 2.660) 3.140 17.523 ( -1.986 -1.191 0.477) 2.364 17.597 ( 2.609 0.749 -0.352) 2.737 17.733 ( 5.311 -2.516 -7.741) 9.719 19.868 ( 0.311 1.996 6.109) 6.434 20.058 ( 0.656 -6.047 -3.597) 7.066 28.479 ( -1.198 -0.776 2.358) 2.756 28.580 ( 1.335 -0.515 -2.555) 2.928 31.076 ( -1.902 0.795 8.247) 8.500 31.461 ( -6.938 3.576 -10.835) 13.354 33.523 ( 13.233 1.499 4.526) 14.066 33.883 ( 17.567 -1.395 -14.272) 22.677 35.969 ( -6.842 0.824 6.390) 9.398 36.047 ( -7.712 -2.499 2.852) 8.594 ======================= Grid point 477 (151/215) ======================= q-point: ( 0.42 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.818 ( 7.462 4.110 -1.612) 8.670 3.873 ( 12.181 3.450 -4.629) 13.480 4.246 ( 9.316 1.849 6.429) 11.469 4.491 ( 1.578 6.212 -4.161) 7.641 5.634 ( -3.648 0.974 20.096) 20.448 6.105 ( -1.340 -7.989 10.617) 13.355 6.183 ( -12.146 -3.346 6.228) 14.054 6.440 ( -15.548 0.233 -8.325) 17.639 6.699 ( -24.946 0.614 -0.958) 24.972 6.869 ( -0.154 3.278 0.246) 3.291 6.925 ( -7.601 0.312 -1.657) 7.786 7.173 ( -4.282 -7.598 -12.837) 15.519 7.929 ( 3.112 5.117 1.970) 6.304 8.185 ( 8.562 3.127 -10.011) 13.539 8.610 ( 2.094 0.129 13.704) 13.864 9.132 ( 5.837 1.020 -11.471) 12.911 11.038 ( -4.291 -4.569 0.954) 6.340 11.096 ( -8.022 -5.906 -2.221) 10.206 13.467 ( 3.479 1.245 7.887) 8.709 13.816 ( 5.371 6.246 -9.727) 12.747 14.319 ( -4.797 0.320 7.199) 8.657 14.566 ( 0.217 1.579 -4.559) 4.830 17.479 ( -1.025 -0.017 2.247) 2.470 17.506 ( -1.251 -0.852 0.385) 1.562 17.632 ( 2.176 -0.022 1.395) 2.584 17.821 ( 3.292 -0.707 -8.458) 9.103 19.869 ( 1.746 0.888 8.199) 8.430 20.139 ( 1.783 -5.382 -5.439) 7.856 28.486 ( 1.124 -0.824 3.064) 3.366 28.621 ( 3.131 -0.584 -3.573) 4.787 30.962 ( -11.079 0.490 6.988) 13.108 31.274 ( -12.429 1.935 -8.269) 15.053 33.703 ( 13.318 5.783 6.181) 15.780 34.128 ( 14.120 4.032 -15.602) 21.425 35.888 ( -3.611 -2.264 6.952) 8.154 36.011 ( -1.426 -4.432 1.363) 4.851 ======================= Grid point 478 (152/215) ======================= q-point: (-0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.821 ( 1.692 11.025 1.636) 11.274 3.971 ( 5.881 6.548 -5.612) 10.438 4.237 ( -0.291 12.140 4.554) 12.969 4.382 ( -2.021 8.420 -2.647) 9.055 5.589 ( -4.552 0.832 7.552) 8.857 5.833 ( -37.542 6.988 -7.139) 38.848 6.000 ( -21.417 -4.163 8.664) 23.476 6.176 ( -14.528 -12.891 8.801) 21.324 6.409 ( -8.985 -6.080 5.319) 12.083 6.707 ( -9.835 -0.145 -1.171) 9.906 7.025 ( 14.042 -1.228 -1.098) 14.138 7.287 ( 5.830 -1.659 -8.409) 10.366 7.900 ( -1.894 3.335 4.399) 5.836 8.286 ( 2.796 -3.065 -11.290) 12.028 8.658 ( 4.891 -1.243 14.219) 15.088 9.224 ( 7.648 1.375 -13.579) 15.645 11.045 ( -2.220 -6.327 0.369) 6.716 11.084 ( -3.757 -9.555 -1.813) 10.426 13.526 ( 5.177 1.112 6.582) 8.447 13.844 ( 7.086 7.550 -9.569) 14.099 14.236 ( -5.604 -0.598 8.272) 10.009 14.542 ( -0.875 1.993 -6.432) 6.790 17.450 ( -1.939 0.453 1.596) 2.551 17.492 ( -1.457 -0.388 -0.368) 1.553 17.665 ( 1.843 0.049 2.359) 2.993 17.852 ( 0.729 0.808 -7.733) 7.810 19.906 ( 3.156 -0.372 9.881) 10.379 20.225 ( 2.702 -4.097 -6.328) 8.008 28.534 ( 3.811 -0.591 3.461) 5.182 28.691 ( 4.867 -0.143 -4.286) 6.487 30.721 ( -17.951 0.464 6.995) 19.271 31.022 ( -17.594 0.185 -7.582) 19.159 33.817 ( 11.263 10.527 6.518) 16.737 34.246 ( 9.761 10.001 -15.497) 20.867 35.913 ( 1.361 -6.046 8.149) 10.238 36.086 ( 3.330 -6.413 -0.515) 7.244 ======================= Grid point 479 (153/215) ======================= q-point: (-0.42 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.607 ( -8.561 17.991 6.857) 21.071 3.930 ( 0.230 10.264 -8.469) 13.309 4.044 ( -2.748 16.455 5.488) 17.563 4.311 ( 2.901 8.357 -8.385) 12.188 5.106 ( -40.325 4.143 1.649) 40.571 5.340 ( -22.985 5.046 -9.935) 25.544 5.758 ( -15.848 -5.633 7.918) 18.590 5.911 ( -20.045 0.942 -0.699) 20.079 6.500 ( -1.555 -1.496 14.129) 14.292 6.605 ( -0.778 -11.216 11.159) 15.841 7.305 ( -3.351 3.915 4.384) 6.766 7.308 ( 13.551 -5.153 -0.255) 14.500 7.822 ( -3.370 0.880 -0.312) 3.497 8.303 ( -5.091 -3.228 -13.299) 14.601 8.859 ( 12.413 -10.802 10.950) 19.765 9.375 ( 12.156 -1.567 -15.946) 20.112 11.095 ( -0.509 -6.939 0.601) 6.984 11.163 ( -1.262 -12.613 -2.987) 13.023 13.602 ( 5.483 1.259 5.089) 7.586 13.883 ( 7.702 7.947 -9.391) 14.514 14.151 ( -6.198 -1.290 8.881) 10.906 14.495 ( -2.134 2.238 -7.894) 8.479 17.412 ( -2.080 0.333 1.386) 2.522 17.474 ( -0.436 0.316 -1.309) 1.416 17.688 ( 1.323 0.479 2.122) 2.546 17.834 ( -1.215 1.626 -6.021) 6.353 19.978 ( 4.387 -1.705 10.892) 11.866 20.309 ( 3.346 -2.384 -6.143) 7.390 28.620 ( 6.460 0.062 3.364) 7.284 28.776 ( 6.157 1.008 -4.394) 7.631 30.386 ( -22.248 0.994 7.465) 23.488 30.703 ( -22.297 -0.725 -7.947) 23.682 33.842 ( 8.248 14.510 6.131) 17.781 34.241 ( 6.212 14.758 -14.454) 21.571 36.053 ( 5.773 -9.205 8.343) 13.699 36.242 ( 5.950 -8.281 -1.406) 10.293 ======================= Grid point 480 (154/215) ======================= q-point: (-0.33 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( -12.499 19.575 11.638) 25.978 3.768 ( -5.790 15.160 -0.397) 16.233 3.817 ( -5.636 12.049 -2.832) 13.600 4.208 ( -6.618 8.875 -4.084) 11.800 4.602 ( -10.401 6.631 -1.197) 12.393 4.854 ( -25.948 8.240 -12.941) 30.144 5.483 ( -20.800 5.844 1.640) 21.668 5.588 ( -16.951 1.238 -2.973) 17.254 6.447 ( 0.282 1.685 18.176) 18.256 6.798 ( 1.084 -14.140 13.953) 19.895 7.102 ( -10.981 4.561 8.146) 14.413 7.538 ( 6.317 -2.421 -2.285) 7.140 7.766 ( -5.095 -3.160 0.916) 6.065 8.244 ( -3.519 -2.517 -12.201) 12.945 9.204 ( 12.134 -11.753 10.597) 19.942 9.682 ( 18.070 -10.550 -16.772) 26.817 11.169 ( 0.172 -7.700 1.320) 7.814 11.306 ( 0.124 -16.580 -5.353) 17.423 13.665 ( 4.353 2.081 3.893) 6.200 13.920 ( 6.546 7.005 -9.723) 13.655 14.064 ( -6.391 -1.399 8.805) 10.970 14.425 ( -3.338 2.625 -8.850) 9.816 17.383 ( -1.202 -0.314 2.047) 2.395 17.479 ( 1.675 0.592 -2.298) 2.904 17.697 ( 0.763 1.087 1.199) 1.789 17.787 ( -2.175 1.760 -4.002) 4.883 20.079 ( 4.956 -3.007 10.911) 12.355 20.379 ( 3.398 -0.267 -4.943) 6.004 28.737 ( 8.771 1.161 2.604) 9.223 28.863 ( 6.938 2.716 -3.687) 8.313 30.000 ( -23.072 2.133 7.529) 24.363 30.324 ( -24.911 -0.074 -8.441) 26.303 33.781 ( 5.064 17.157 5.646) 18.759 34.147 ( 3.865 18.000 -13.408) 22.775 36.277 ( 7.688 -11.831 7.442) 15.952 36.439 ( 6.175 -10.012 -1.080) 11.813 ======================= Grid point 481 (155/215) ======================= q-point: (-0.25 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( -7.184 14.503 20.712) 26.285 3.353 ( -16.836 19.230 21.985) 33.713 3.733 ( 1.914 1.152 -22.643) 22.753 3.997 ( -1.421 17.364 3.511) 17.773 4.376 ( -18.055 13.231 -13.038) 25.904 4.525 ( 5.296 9.848 -9.225) 14.496 5.061 ( -17.316 10.861 2.606) 20.606 5.302 ( -13.796 5.161 -8.964) 17.244 6.477 ( 2.110 -2.567 20.493) 20.761 6.758 ( -9.239 3.098 19.836) 22.100 7.089 ( 1.697 -12.998 -5.983) 14.409 7.457 ( -10.543 3.092 -15.699) 19.162 7.822 ( 2.099 -7.814 14.195) 16.339 8.266 ( 1.327 -3.542 -7.315) 8.234 9.428 ( 6.248 -1.800 14.800) 16.166 10.097 ( 14.205 -11.886 -19.070) 26.584 11.281 ( 0.743 -14.219 4.168) 14.836 11.529 ( 1.418 -23.674 -7.146) 24.770 13.695 ( 2.603 2.854 3.390) 5.140 13.939 ( 3.095 4.481 -8.437) 10.041 13.981 ( -4.527 -0.400 6.152) 7.649 14.336 ( -3.401 3.545 -9.135) 10.372 17.386 ( 0.379 -1.445 3.043) 3.390 17.510 ( 2.493 0.586 -2.906) 3.873 17.687 ( -0.101 1.911 0.226) 1.926 17.736 ( -1.552 1.570 -2.456) 3.303 20.192 ( 3.918 -4.085 9.484) 11.044 20.417 ( 2.380 2.252 -3.038) 4.469 28.870 ( 9.467 2.418 1.110) 9.834 28.937 ( 6.671 4.460 -2.250) 8.334 29.628 ( -18.149 3.348 6.886) 19.698 29.929 ( -21.205 2.249 -8.030) 22.786 33.652 ( 2.197 18.039 5.275) 18.922 33.993 ( 1.926 19.996 -12.697) 23.765 36.526 ( 5.758 -13.482 5.796) 15.764 36.641 ( 4.318 -11.964 -0.048) 12.720 ======================= Grid point 482 (156/215) ======================= q-point: (-0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 0.000 7.219 30.147) 31.000 2.953 ( 0.000 22.396 25.984) 34.303 3.752 ( 0.000 27.151 13.000) 30.103 3.820 ( -0.000 -6.169 -24.001) 24.782 4.046 ( 0.000 11.784 -17.598) 21.179 4.464 ( 0.000 12.892 -13.790) 18.878 4.794 ( 0.000 10.396 2.505) 10.693 5.106 ( 0.000 6.820 -13.330) 14.973 6.546 ( -0.000 -5.835 22.018) 22.778 6.636 ( 0.000 2.657 17.569) 17.769 7.269 ( -0.000 -15.582 -10.776) 18.945 7.310 ( 0.000 2.774 -16.473) 16.705 7.922 ( -0.000 -7.496 15.452) 17.174 8.321 ( -0.000 -3.329 -4.572) 5.655 9.447 ( 0.000 6.736 17.852) 19.081 10.263 ( 0.000 3.900 -22.284) 22.622 11.523 ( -0.000 -28.717 8.123) 29.844 11.831 ( -0.000 -29.392 -6.867) 30.183 13.687 ( 0.000 2.924 3.657) 4.682 13.935 ( 0.000 2.603 -10.832) 11.141 13.936 ( -0.000 -0.843 7.368) 7.416 14.260 ( 0.000 4.427 -8.489) 9.574 17.413 ( -0.000 -2.059 3.001) 3.639 17.528 ( 0.000 0.686 -2.681) 2.768 17.658 ( 0.000 2.692 0.178) 2.698 17.708 ( 0.000 2.100 -2.201) 3.042 20.272 ( -0.000 -4.114 6.651) 7.820 20.400 ( 0.000 4.976 -1.049) 5.085 28.934 ( 0.000 4.319 -0.394) 4.337 28.956 ( 0.000 4.476 -1.195) 4.633 29.420 ( 0.000 3.551 6.442) 7.356 29.692 ( 0.000 3.799 -6.966) 7.935 33.483 ( 0.000 16.801 4.808) 17.475 33.793 ( 0.000 20.554 -11.845) 23.723 36.712 ( -0.000 -12.085 4.935) 13.053 36.820 ( -0.000 -14.306 0.175) 14.307 ======================= Grid point 487 (157/215) ======================= q-point: ( 0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.678 ( 12.814 -0.000 -2.590) 13.073 3.690 ( 18.707 -0.000 -3.018) 18.949 3.913 ( 21.419 -0.000 10.685) 23.936 4.443 ( 10.482 -0.000 -14.754) 18.098 5.839 ( -8.981 0.000 20.619) 22.490 6.086 ( -4.326 0.000 3.872) 5.805 6.281 ( 2.693 -0.000 6.488) 7.025 6.490 ( -6.391 0.000 13.975) 15.367 6.704 ( 10.295 -0.000 3.492) 10.871 6.819 ( 7.672 -0.000 -10.381) 12.908 7.180 ( -19.634 0.000 -2.240) 19.761 7.366 ( -17.318 0.000 -2.903) 17.560 8.019 ( 0.820 -0.000 -1.964) 2.128 8.265 ( -6.461 0.000 -14.500) 15.874 8.583 ( -0.077 0.000 6.241) 6.242 9.036 ( 7.311 -0.000 -12.859) 14.792 11.085 ( -9.650 0.000 2.726) 10.028 11.177 ( -12.829 0.000 -2.312) 13.036 13.455 ( 1.561 -0.000 9.859) 9.982 13.853 ( 3.407 -0.000 -10.025) 10.589 14.409 ( -4.462 0.000 6.011) 7.486 14.578 ( 1.608 -0.000 -2.110) 2.653 17.465 ( 2.051 -0.000 1.651) 2.633 17.505 ( -1.585 0.000 0.032) 1.586 17.612 ( 1.059 -0.000 -0.690) 1.264 17.699 ( 7.476 -0.000 -6.380) 9.829 19.939 ( 0.542 0.000 1.014) 1.150 19.939 ( 0.752 0.000 1.080) 1.316 28.470 ( -1.132 0.000 2.445) 2.695 28.574 ( 1.318 -0.000 -2.613) 2.926 31.086 ( -2.259 0.000 8.569) 8.862 31.502 ( -8.585 0.000 -12.361) 15.049 33.542 ( 15.413 -0.000 4.001) 15.924 33.865 ( 20.805 -0.000 -12.579) 24.312 35.991 ( -6.212 0.000 5.489) 8.289 36.005 ( -10.745 0.000 3.654) 11.350 ======================= Grid point 488 (158/215) ======================= q-point: ( 0.33 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.870 ( 11.059 1.084 -1.250) 11.182 3.925 ( 12.054 1.381 -4.805) 13.049 4.255 ( 18.636 -0.288 6.999) 19.909 4.581 ( 5.651 2.053 -6.696) 8.999 5.665 ( -7.325 1.497 24.597) 25.708 5.947 ( -13.748 -4.452 10.024) 17.587 6.233 ( -6.725 6.157 5.126) 10.461 6.379 ( -7.957 -6.114 -2.680) 10.386 6.763 ( -28.137 4.667 -8.342) 29.717 6.893 ( -14.589 -3.616 -8.295) 17.167 6.928 ( -2.183 1.882 -0.160) 2.887 7.030 ( 7.735 -4.291 -7.770) 11.774 8.016 ( 0.322 2.512 1.309) 2.851 8.246 ( 1.694 1.882 -9.714) 10.039 8.608 ( 2.610 -0.196 14.955) 15.183 9.149 ( 6.718 0.483 -11.251) 13.113 10.965 ( -6.103 -1.901 0.900) 6.456 11.001 ( -10.327 -2.615 -1.198) 10.720 13.493 ( 3.740 0.852 10.304) 10.995 13.913 ( 5.756 2.528 -10.867) 12.555 14.327 ( -5.408 0.284 7.852) 9.538 14.593 ( 0.791 0.811 -4.804) 4.936 17.480 ( -0.510 0.185 0.608) 0.814 17.489 ( -0.703 -0.658 0.019) 0.963 17.631 ( 1.537 -0.009 1.721) 2.308 17.804 ( 4.740 -0.592 -7.269) 8.698 19.913 ( 1.506 3.372 3.501) 5.089 20.017 ( 1.965 -5.575 -1.640) 6.134 28.473 ( 1.389 -0.357 3.095) 3.412 28.611 ( 3.093 -0.314 -3.619) 4.771 30.972 ( -11.224 0.281 7.117) 13.293 31.310 ( -14.060 1.047 -9.768) 17.152 33.798 ( 17.046 2.635 5.848) 18.213 34.183 ( 18.566 1.245 -13.359) 22.907 35.856 ( -7.316 -0.698 5.649) 9.269 35.937 ( -2.152 -2.148 2.100) 3.696 ======================= Grid point 489 (159/215) ======================= q-point: (-0.58 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.990 ( 7.616 5.176 0.172) 9.210 4.066 ( 7.475 2.313 -4.408) 8.981 4.436 ( 3.704 7.475 3.747) 9.146 4.553 ( 0.443 5.992 0.541) 6.033 5.579 ( -7.407 -0.875 14.697) 16.482 5.790 ( -16.615 -12.020 11.556) 23.539 6.004 ( -36.682 5.801 -9.033) 38.221 6.049 ( -13.634 2.837 6.030) 15.176 6.344 ( -10.471 -2.640 -2.295) 11.040 6.651 ( -9.855 -4.031 -11.713) 15.829 7.069 ( 11.558 3.282 0.947) 12.053 7.230 ( 9.529 -2.840 -5.706) 11.465 7.963 ( -3.954 2.439 2.981) 5.520 8.234 ( -3.135 -1.543 -8.548) 9.235 8.648 ( 1.924 -0.186 16.699) 16.810 9.250 ( 7.124 0.928 -12.545) 14.457 10.908 ( -6.610 -5.992 0.119) 8.922 10.929 ( -3.033 -4.747 -0.684) 5.675 13.557 ( 5.620 1.520 10.041) 11.607 13.983 ( 7.665 4.930 -11.409) 14.602 14.234 ( -5.776 0.180 9.557) 11.168 14.586 ( 0.023 1.920 -7.250) 7.500 17.461 ( -1.619 0.500 0.410) 1.743 17.479 ( -1.099 -0.640 -0.483) 1.360 17.660 ( 1.585 -0.401 2.931) 3.356 17.858 ( 1.401 -0.096 -7.354) 7.487 19.917 ( 2.340 1.709 6.047) 6.705 20.115 ( 2.579 -5.831 -3.792) 7.418 28.524 ( 4.385 -0.350 3.415) 5.569 28.681 ( 5.089 -0.540 -4.347) 6.714 30.733 ( -17.477 0.546 6.757) 18.746 31.038 ( -18.155 0.969 -8.310) 19.990 34.010 ( 15.123 7.142 6.484) 17.937 34.413 ( 14.063 5.662 -13.537) 20.324 35.799 ( -2.671 -4.361 7.770) 9.302 35.971 ( 2.158 -4.142 -0.867) 4.750 ======================= Grid point 490 (160/215) ======================= q-point: (-0.50 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( -2.425 14.379 4.662) 15.309 4.103 ( 2.500 6.014 -3.518) 7.403 4.255 ( -9.559 5.608 3.715) 11.689 4.518 ( 0.552 8.484 -8.476) 12.005 5.156 ( -38.938 1.362 5.250) 39.314 5.473 ( -19.738 5.151 -9.142) 22.354 5.647 ( -10.873 -3.749 12.027) 16.641 5.903 ( -12.287 -1.501 1.821) 12.511 6.288 ( 2.083 -6.361 8.744) 11.012 6.613 ( -1.828 -0.198 -1.137) 2.162 7.247 ( 13.338 0.162 -0.233) 13.341 7.353 ( 1.862 0.147 0.692) 1.991 7.852 ( -5.975 1.575 0.130) 6.181 8.185 ( -7.688 -6.546 -11.009) 14.938 8.696 ( 2.515 -4.295 16.390) 17.130 9.365 ( 8.224 0.332 -16.531) 18.467 10.915 ( -2.885 -9.667 0.763) 10.117 10.960 ( -0.879 -6.589 -1.232) 6.761 13.637 ( 6.289 1.949 9.174) 11.292 14.052 ( 8.540 7.104 -11.511) 15.997 14.139 ( -5.711 0.031 10.536) 11.985 14.552 ( -1.040 2.970 -9.274) 9.793 17.418 ( -2.932 0.154 1.420) 3.262 17.476 ( 0.262 -0.025 -1.281) 1.308 17.687 ( 1.140 -0.460 2.277) 2.587 17.854 ( -1.393 0.475 -6.521) 6.685 19.953 ( 2.999 -0.295 8.331) 8.859 20.219 ( 2.847 -5.594 -5.060) 8.062 28.620 ( 7.362 0.024 3.422) 8.119 28.783 ( 6.857 -0.218 -4.613) 8.267 30.410 ( -21.051 1.149 6.990) 22.211 30.710 ( -21.232 0.929 -7.689) 22.601 34.124 ( 11.313 11.681 6.269) 17.428 34.511 ( 8.988 10.716 -12.913) 19.035 35.865 ( 2.338 -8.357 8.701) 12.288 36.085 ( 4.922 -6.201 -2.620) 8.339 ======================= Grid point 491 (161/215) ======================= q-point: (-0.42 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.599 ( -19.649 15.339 7.163) 25.936 3.969 ( -11.250 6.724 -10.987) 17.102 4.056 ( -9.550 8.576 8.947) 15.646 4.361 ( -7.734 3.939 -8.129) 11.891 4.744 ( -4.304 6.950 4.811) 9.486 5.098 ( -13.360 13.748 -11.280) 22.243 5.506 ( -11.208 -1.982 5.540) 12.659 5.646 ( -16.191 4.281 -1.987) 16.865 6.499 ( 8.223 -12.272 14.548) 20.733 6.558 ( 0.064 6.328 8.712) 10.768 7.230 ( -11.318 5.442 9.785) 15.920 7.475 ( 11.502 -2.285 2.526) 11.996 7.745 ( -7.886 0.328 -5.321) 9.519 8.149 ( -5.003 -7.023 -14.041) 16.477 8.865 ( 5.787 -15.965 14.251) 22.169 9.524 ( 9.506 -4.278 -19.483) 22.097 11.004 ( -0.396 -11.222 -0.075) 11.229 11.030 ( 0.066 -7.731 -1.115) 7.811 13.710 ( 5.321 2.368 7.848) 9.773 14.045 ( -5.047 0.437 10.678) 11.819 14.107 ( 7.603 8.526 -11.724) 16.369 14.491 ( -2.260 3.529 -10.679) 11.472 17.373 ( -2.622 -0.594 3.032) 4.052 17.490 ( 1.793 0.446 -2.514) 3.120 17.705 ( 0.642 -0.221 0.932) 1.153 17.811 ( -2.989 0.698 -4.912) 5.792 20.018 ( 3.208 -2.394 10.072) 10.838 20.320 ( 2.696 -4.848 -5.351) 7.708 28.756 ( 9.703 0.665 3.031) 10.187 28.901 ( 8.066 0.914 -4.201) 9.140 30.046 ( -21.388 2.178 7.107) 22.643 30.344 ( -22.142 1.582 -7.486) 23.426 34.130 ( 7.136 15.311 5.856) 17.878 34.490 ( 5.159 14.392 -11.912) 19.382 36.032 ( 4.922 -11.248 8.032) 14.672 36.245 ( 5.254 -7.999 -2.921) 10.006 ======================= Grid point 492 (162/215) ======================= q-point: (-0.33 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( -20.163 8.945 13.109) 25.660 3.721 ( -9.934 4.162 -6.086) 12.371 3.768 ( -8.184 13.737 4.626) 16.645 4.253 ( -0.619 8.105 -7.596) 11.126 4.704 ( 3.262 6.149 -3.878) 7.968 4.789 ( 0.187 23.098 -6.456) 23.984 5.270 ( -14.575 8.223 1.789) 16.830 5.374 ( -10.956 2.305 -2.626) 11.500 6.515 ( 2.628 5.256 15.603) 16.673 6.730 ( 4.448 -6.805 15.147) 17.191 6.980 ( -8.775 3.388 6.509) 11.438 7.537 ( -9.218 4.051 -15.431) 18.426 7.672 ( 2.887 -6.077 12.716) 14.386 8.174 ( -0.291 -5.240 -10.654) 11.876 9.172 ( 5.390 -21.175 12.916) 25.383 9.767 ( 8.506 -13.620 -19.166) 25.004 11.102 ( 0.614 -6.424 -0.631) 6.484 11.140 ( -0.265 -13.831 -2.677) 14.090 13.751 ( 3.099 2.800 6.173) 7.453 13.965 ( -4.044 0.122 10.956) 11.679 14.115 ( 5.078 10.003 -13.040) 17.201 14.412 ( -2.452 3.605 -11.099) 11.925 17.354 ( -1.105 -1.583 4.453) 4.854 17.522 ( 2.518 0.526 -3.713) 4.517 17.712 ( 0.233 0.346 -0.300) 0.514 17.754 ( -2.899 0.471 -2.987) 4.189 20.100 ( 2.416 -4.191 10.949) 11.970 20.402 ( 1.830 -3.401 -4.815) 6.172 28.907 ( 9.680 1.243 2.195) 10.003 29.014 ( 7.767 2.634 -3.155) 8.787 29.701 ( -16.772 3.404 6.806) 18.417 29.988 ( -17.736 3.127 -7.312) 19.437 34.038 ( 3.276 17.841 5.659) 19.002 34.384 ( 2.405 16.918 -11.582) 20.643 36.239 ( 4.057 -13.369 6.691) 15.491 36.410 ( 3.347 -9.701 -2.144) 10.483 ======================= Grid point 493 (163/215) ======================= q-point: (-0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( 0.000 6.087 20.442) 21.329 3.451 ( 0.000 23.856 19.399) 30.747 3.696 ( -0.000 -5.515 -20.901) 21.617 4.136 ( 0.000 11.982 -12.282) 17.158 4.516 ( 0.000 27.169 -0.767) 27.180 4.695 ( 0.000 8.999 -6.057) 10.848 5.019 ( 0.000 10.433 2.780) 10.797 5.233 ( 0.000 4.847 -7.143) 8.632 6.509 ( 0.000 2.290 19.436) 19.570 6.707 ( 0.000 3.984 17.547) 17.994 7.003 ( -0.000 -9.266 -2.254) 9.536 7.386 ( 0.000 4.250 -16.683) 17.215 7.768 ( -0.000 -6.676 14.537) 15.996 8.231 ( -0.000 -5.062 -7.825) 9.320 9.406 ( -0.000 -12.735 14.642) 19.405 10.033 ( -0.000 -19.852 -18.071) 26.845 11.174 ( -0.000 -7.293 0.630) 7.320 11.309 ( -0.000 -18.895 -5.347) 19.637 13.747 ( 0.000 2.815 4.453) 5.268 13.928 ( -0.000 -0.006 10.195) 10.195 14.055 ( 0.000 8.834 -12.944) 15.671 14.350 ( 0.000 3.972 -10.573) 11.294 17.367 ( -0.000 -2.201 4.595) 5.095 17.541 ( 0.000 0.591 -4.025) 4.068 17.701 ( 0.000 1.440 -0.605) 1.562 17.727 ( 0.000 0.032 -1.924) 1.925 20.172 ( -0.000 -5.050 10.669) 11.804 20.442 ( -0.000 -1.014 -3.860) 3.991 28.990 ( 0.000 1.571 1.096) 1.915 29.055 ( 0.000 4.201 -2.188) 4.737 29.502 ( 0.000 4.084 6.621) 7.779 29.780 ( 0.000 4.426 -7.098) 8.365 33.868 ( 0.000 18.923 5.588) 19.731 34.215 ( 0.000 18.839 -12.068) 22.373 36.424 ( -0.000 -14.443 5.623) 15.499 36.549 ( -0.000 -11.318 -0.948) 11.358 ======================= Grid point 500 (164/215) ======================= q-point: ( 0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.048 ( 9.791 -0.000 -0.093) 9.791 4.082 ( 7.213 -0.000 -4.003) 8.249 4.528 ( 12.210 -0.000 0.938) 12.246 4.610 ( -4.048 0.000 3.083) 5.088 5.583 ( -7.483 0.000 22.038) 23.274 5.631 ( -18.815 0.000 10.845) 21.717 6.090 ( -41.041 0.000 -9.317) 42.085 6.099 ( -13.226 0.000 2.661) 13.491 6.301 ( -2.445 0.000 -3.977) 4.668 6.593 ( -13.358 0.000 -17.719) 22.190 7.109 ( 12.618 -0.000 1.061) 12.662 7.197 ( 10.558 -0.000 -2.852) 10.937 7.991 ( -5.114 0.000 1.959) 5.476 8.219 ( -5.670 0.000 -7.285) 9.231 8.645 ( 1.427 -0.000 17.631) 17.689 9.260 ( 6.940 -0.000 -12.176) 14.015 10.841 ( -7.566 0.000 0.529) 7.585 10.877 ( -3.442 0.000 -0.986) 3.581 13.575 ( 5.716 -0.000 11.325) 12.686 14.036 ( 7.682 -0.000 -11.938) 14.196 14.237 ( -5.782 0.000 10.129) 11.663 14.609 ( 0.493 -0.000 -7.517) 7.533 17.467 ( -2.212 0.000 -0.419) 2.252 17.471 ( -0.198 0.000 -0.478) 0.517 17.654 ( 1.405 -0.000 3.301) 3.587 17.856 ( 1.745 -0.000 -7.019) 7.232 19.964 ( 1.350 -0.000 1.987) 2.402 20.021 ( 3.243 -0.000 -0.395) 3.267 28.520 ( 4.644 -0.000 3.313) 5.705 28.675 ( 5.111 -0.000 -4.286) 6.670 30.739 ( -17.320 0.000 6.731) 18.582 31.050 ( -18.437 0.000 -8.726) 20.398 34.090 ( 16.485 -0.000 6.191) 17.609 34.474 ( 16.000 -0.000 -12.479) 20.291 35.749 ( -4.647 0.000 7.745) 9.032 35.925 ( 1.916 -0.000 -1.102) 2.210 ======================= Grid point 501 (165/215) ======================= q-point: (-0.58 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.148 ( 3.300 3.530 -0.666) 4.878 4.183 ( 6.007 1.516 -0.483) 6.215 4.401 ( -15.672 8.726 4.862) 18.585 4.575 ( -10.330 -2.925 -6.729) 12.670 5.187 ( -34.051 1.401 13.125) 36.520 5.452 ( -7.195 -3.782 4.507) 9.294 5.655 ( -11.700 1.851 6.653) 13.586 5.889 ( -10.999 0.390 1.621) 11.125 6.301 ( 2.123 6.009 -6.342) 8.991 6.513 ( -0.100 -8.102 -11.288) 13.895 7.289 ( 9.700 2.692 1.218) 10.140 7.334 ( 5.698 -1.450 3.197) 6.692 7.876 ( -7.284 0.549 -1.559) 7.469 8.088 ( -11.069 -2.231 -7.328) 13.461 8.649 ( -1.212 -0.834 18.548) 18.607 9.376 ( 7.588 0.418 -16.273) 17.960 10.764 ( -4.480 -3.996 2.039) 6.340 10.855 ( -1.211 -2.842 -2.346) 3.878 13.671 ( 6.584 0.991 11.679) 13.443 14.144 ( -5.365 0.302 12.009) 13.157 14.156 ( 8.568 2.473 -12.586) 15.425 14.605 ( -0.088 1.571 -9.941) 10.065 17.418 ( -3.642 -0.058 1.303) 3.869 17.477 ( 0.946 0.093 -1.560) 1.826 17.676 ( 1.017 -0.370 2.606) 2.821 17.859 ( -1.246 0.041 -6.506) 6.625 19.973 ( 1.929 1.938 4.001) 4.846 20.102 ( 2.876 -4.611 -2.129) 5.836 28.621 ( 7.889 0.042 3.160) 8.499 28.775 ( 7.156 -0.287 -4.450) 8.432 30.429 ( -20.472 0.492 6.845) 21.592 30.728 ( -20.928 0.538 -7.932) 22.387 34.304 ( 12.677 4.672 5.874) 14.733 34.676 ( 11.460 4.405 -12.048) 17.201 35.726 ( -0.405 -3.982 9.975) 10.748 35.993 ( 4.723 -2.316 -3.717) 6.441 ======================= Grid point 502 (166/215) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.836 ( -33.079 6.696 3.193) 33.901 4.073 ( -21.142 3.468 -7.577) 22.725 4.212 ( 2.776 6.837 4.069) 8.426 4.386 ( -5.518 -0.778 -8.033) 9.777 4.831 ( -8.464 1.086 17.746) 19.691 5.370 ( -1.017 9.895 -4.110) 10.763 5.483 ( -9.179 0.153 5.877) 10.900 5.735 ( -8.102 3.540 -4.012) 9.710 6.327 ( 6.662 -1.863 6.520) 9.507 6.629 ( 4.345 -1.785 -1.832) 5.042 7.272 ( -9.178 -0.975 8.843) 12.783 7.471 ( 9.571 0.979 4.605) 10.666 7.765 ( -6.814 1.762 -8.715) 11.202 7.979 ( -5.422 -7.173 -10.793) 14.048 8.644 ( -2.218 -5.130 19.010) 19.814 9.488 ( 6.607 0.178 -21.647) 22.634 10.782 ( -1.583 -8.541 2.752) 9.112 10.892 ( 0.191 -5.465 -2.677) 6.088 13.759 ( 6.014 1.958 11.537) 13.157 14.056 ( -4.847 0.728 13.095) 13.982 14.256 ( 8.418 4.832 -13.277) 16.447 14.568 ( -1.356 3.411 -11.839) 12.395 17.361 ( -3.574 -0.514 3.823) 5.259 17.499 ( 2.033 0.374 -2.951) 3.603 17.694 ( 0.568 -0.602 0.979) 1.282 17.820 ( -3.103 0.252 -5.396) 6.230 19.993 ( 2.023 0.216 6.465) 6.777 20.200 ( 2.299 -5.848 -3.703) 7.293 28.767 ( 10.221 0.408 2.856) 10.620 28.907 ( 8.736 -0.117 -4.111) 9.655 30.085 ( -20.430 1.371 6.933) 21.618 30.377 ( -20.933 1.303 -7.443) 22.255 34.396 ( 7.941 9.239 5.448) 13.345 34.746 ( 6.617 9.600 -11.164) 16.142 35.817 ( 2.860 -8.590 10.223) 13.656 36.113 ( 5.220 -4.430 -4.790) 8.356 ======================= Grid point 503 (167/215) ======================= q-point: (-0.42 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( -27.537 4.185 7.588) 28.868 3.706 ( -17.802 -1.311 -15.095) 23.378 4.121 ( 0.148 14.968 11.114) 18.644 4.370 ( 1.826 3.241 -5.241) 6.427 4.767 ( -0.466 0.496 9.836) 9.860 5.240 ( 2.910 15.649 -4.342) 16.499 5.355 ( -5.608 1.922 1.512) 6.118 5.504 ( -10.035 11.577 -6.590) 16.678 6.513 ( 5.968 -7.389 12.603) 15.782 6.691 ( 7.812 4.193 8.546) 12.315 7.071 ( -13.324 2.232 9.731) 16.650 7.553 ( -6.361 -3.640 5.664) 9.263 7.645 ( 2.376 4.758 -11.328) 12.514 8.043 ( 0.874 -7.056 -12.306) 14.212 8.730 ( -0.110 -16.377 17.581) 24.027 9.591 ( 4.351 -3.491 -24.511) 25.138 10.878 ( -0.098 -11.285 2.007) 11.463 10.967 ( 0.682 -6.753 -2.251) 7.150 13.816 ( 4.178 3.072 10.846) 12.022 13.976 ( -3.866 0.856 12.881) 13.476 14.316 ( 6.768 7.768 -14.104) 17.466 14.491 ( -2.914 4.085 -12.713) 13.667 17.323 ( -2.040 -1.251 5.739) 6.218 17.532 ( 2.441 0.444 -4.480) 5.121 17.706 ( 0.161 -0.600 -0.434) 0.758 17.763 ( -3.112 0.431 -3.660) 4.823 20.032 ( 1.475 -1.977 8.646) 8.991 20.294 ( 1.404 -6.176 -4.546) 7.796 28.927 ( 9.535 0.688 2.567) 9.899 29.048 ( 8.486 0.718 -3.477) 9.199 29.765 ( -15.804 2.527 6.796) 17.388 30.050 ( -15.927 2.592 -7.249) 17.690 34.371 ( 3.747 13.078 5.255) 14.584 34.701 ( 2.920 13.062 -10.165) 16.807 35.974 ( 2.780 -11.529 8.760) 14.744 36.240 ( 3.288 -6.298 -4.516) 8.418 ======================= Grid point 504 (168/215) ======================= q-point: (-0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 0.000 3.855 12.605) 13.182 3.592 ( -0.000 -4.265 -18.518) 19.003 3.924 ( 0.000 20.499 15.365) 25.618 4.335 ( 0.000 6.587 -7.572) 10.037 4.765 ( 0.000 1.347 3.262) 3.529 5.114 ( 0.000 26.213 -10.409) 28.204 5.208 ( 0.000 6.633 3.015) 7.286 5.312 ( 0.000 3.236 -1.393) 3.523 6.580 ( 0.000 1.061 15.387) 15.424 6.797 ( 0.000 4.338 19.135) 19.621 6.887 ( -0.000 -1.497 1.442) 2.079 7.465 ( 0.000 1.968 -10.714) 10.893 7.672 ( -0.000 -1.148 5.796) 5.909 8.115 ( -0.000 -5.748 -10.532) 11.998 8.962 ( -0.000 -24.435 14.372) 28.348 9.701 ( -0.000 -9.947 -22.965) 25.026 11.001 ( -0.000 -12.020 0.053) 12.020 11.045 ( -0.000 -6.597 -1.695) 6.811 13.816 ( 0.000 3.821 8.865) 9.653 13.933 ( 0.000 0.389 12.231) 12.237 14.277 ( 0.000 11.168 -14.865) 18.593 14.423 ( 0.000 2.902 -12.009) 12.354 17.324 ( -0.000 -1.860 6.098) 6.375 17.552 ( 0.000 0.444 -5.245) 5.264 17.713 ( -0.000 -0.476 -0.997) 1.105 17.729 ( 0.000 0.533 -2.242) 2.305 20.076 ( -0.000 -3.708 10.221) 10.873 20.369 ( -0.000 -5.447 -4.797) 7.258 29.012 ( 0.000 0.658 2.295) 2.388 29.119 ( 0.000 1.875 -3.118) 3.638 29.584 ( 0.000 3.522 6.825) 7.680 29.870 ( 0.000 3.868 -7.262) 8.228 34.246 ( 0.000 16.190 5.378) 17.060 34.574 ( 0.000 15.226 -10.242) 18.350 36.130 ( -0.000 -13.160 7.244) 15.022 36.344 ( -0.000 -8.120 -3.447) 8.821 ======================= Grid point 513 (169/215) ======================= q-point: ( 0.42 -0.58 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.899 ( -36.991 0.000 1.529) 37.022 4.110 ( -26.851 0.000 -6.846) 27.710 4.322 ( 1.344 -0.000 -1.477) 1.997 4.348 ( 3.680 -0.000 -6.940) 7.855 4.833 ( -9.899 0.000 29.661) 31.270 5.480 ( 3.297 -0.000 -1.253) 3.527 5.481 ( -10.689 0.000 7.294) 12.941 5.768 ( -1.078 0.000 -2.157) 2.411 6.418 ( 0.346 -0.000 -7.806) 7.814 6.503 ( 9.315 -0.000 -7.259) 11.810 7.256 ( -10.750 0.000 15.399) 18.781 7.478 ( 6.980 -0.000 3.410) 7.768 7.808 ( -0.673 0.000 -9.069) 9.094 7.888 ( -9.597 0.000 -10.639) 14.328 8.601 ( -3.758 0.000 21.027) 21.360 9.496 ( 6.669 -0.000 -21.733) 22.734 10.685 ( -2.481 0.000 3.551) 4.332 10.828 ( -0.267 0.000 -3.635) 3.645 13.781 ( 6.157 -0.000 12.755) 14.163 14.066 ( -4.528 0.000 14.030) 14.742 14.305 ( 8.153 -0.000 -13.476) 15.750 14.609 ( -0.719 0.000 -12.233) 12.254 17.355 ( -3.873 0.000 4.111) 5.648 17.503 ( 2.096 -0.000 -3.241) 3.860 17.687 ( 0.582 -0.000 1.131) 1.272 17.823 ( -3.043 0.000 -5.487) 6.274 20.010 ( 1.285 -0.000 3.362) 3.600 20.120 ( 2.490 -0.000 -1.557) 2.937 28.772 ( 10.409 -0.000 2.644) 10.740 28.904 ( 8.925 -0.000 -3.945) 9.758 30.100 ( -20.126 0.000 6.889) 21.273 30.391 ( -20.604 0.000 -7.499) 21.926 34.496 ( 7.916 -0.000 5.265) 9.507 34.858 ( 7.714 -0.000 -11.963) 14.234 35.715 ( 1.808 -0.000 12.370) 12.502 36.065 ( 5.312 -0.000 -5.684) 7.780 ======================= Grid point 515 (170/215) ======================= q-point: (-0.50 0.42 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( -29.955 1.162 4.701) 30.344 3.685 ( -21.278 -0.570 -14.387) 25.692 4.342 ( 2.892 4.794 0.816) 5.658 4.413 ( 3.205 1.628 -4.094) 5.448 4.764 ( -1.229 -0.078 30.947) 30.971 5.335 ( -6.474 0.311 6.794) 9.389 5.447 ( -2.693 2.732 -1.269) 4.040 5.807 ( 6.049 10.913 -13.646) 18.491 6.417 ( 3.924 1.157 3.041) 5.097 6.679 ( 5.941 -6.518 -4.594) 9.944 7.050 ( -13.743 -1.781 17.925) 22.657 7.490 ( -5.240 -1.819 4.750) 7.302 7.768 ( 2.216 6.298 -12.488) 14.161 7.901 ( 2.566 -6.147 -12.381) 14.059 8.546 ( -3.822 -2.621 23.623) 24.074 9.578 ( 3.734 0.741 -26.281) 26.555 10.688 ( -0.746 -5.448 4.125) 6.875 10.847 ( 0.165 -3.617 -3.983) 5.382 13.864 ( 4.831 1.184 13.453) 14.343 13.996 ( -3.832 0.731 14.491) 15.007 14.414 ( 6.457 1.904 -13.791) 15.346 14.573 ( -2.158 2.701 -13.951) 14.373 17.304 ( -2.437 -0.482 6.493) 6.952 17.539 ( 2.284 0.197 -5.052) 5.548 17.695 ( 0.235 -0.333 -0.236) 0.471 17.770 ( -3.018 0.167 -4.000) 5.013 20.022 ( 0.878 0.669 4.735) 4.862 20.175 ( 1.314 -4.125 -2.504) 5.002 28.938 ( 9.424 0.295 2.373) 9.722 29.053 ( 8.785 -0.036 -3.346) 9.401 29.802 ( -15.328 0.933 6.816) 16.801 30.089 ( -15.161 0.988 -7.320) 16.865 34.562 ( 3.574 4.685 5.058) 7.765 34.916 ( 3.604 6.274 -11.538) 13.618 35.780 ( 2.083 -5.741 12.548) 13.955 36.150 ( 3.412 -2.197 -6.264) 7.464 ======================= Grid point 516 (171/215) ======================= q-point: (-0.42 0.42 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( 0.000 1.738 7.766) 7.958 3.521 ( -0.000 -2.356 -16.941) 17.104 4.280 ( 0.000 11.948 7.299) 14.001 4.418 ( 0.000 2.143 -3.626) 4.211 4.760 ( -0.000 -0.531 21.032) 21.038 5.276 ( 0.000 0.855 5.648) 5.712 5.391 ( 0.000 3.506 -0.557) 3.550 5.652 ( 0.000 23.674 -17.524) 29.454 6.499 ( -0.000 -5.895 9.779) 11.419 6.846 ( -0.000 -6.621 -5.412) 8.552 6.878 ( 0.000 3.080 22.209) 22.421 7.449 ( -0.000 -2.027 1.503) 2.523 7.734 ( 0.000 5.461 -9.405) 10.876 7.993 ( -0.000 -5.823 -12.770) 14.035 8.575 ( -0.000 -10.008 22.639) 24.752 9.604 ( -0.000 -0.436 -27.418) 27.422 10.765 ( -0.000 -9.640 3.540) 10.270 10.903 ( -0.000 -6.194 -3.399) 7.066 13.896 ( 0.000 3.288 13.492) 13.887 13.941 ( 0.000 0.329 13.410) 13.414 14.470 ( 0.000 1.512 -12.824) 12.913 14.481 ( 0.000 7.369 -15.505) 17.167 17.292 ( -0.000 -1.067 7.180) 7.259 17.560 ( 0.000 0.239 -6.101) 6.106 17.701 ( -0.000 -0.475 -0.812) 0.941 17.739 ( 0.000 0.344 -2.773) 2.794 20.029 ( -0.000 -0.639 6.746) 6.776 20.240 ( -0.000 -5.969 -3.634) 6.988 29.023 ( 0.000 0.379 2.484) 2.513 29.140 ( 0.000 0.273 -3.359) 3.370 29.644 ( 0.000 2.027 6.991) 7.279 29.936 ( 0.000 2.249 -7.402) 7.736 34.518 ( 0.000 9.060 5.012) 10.354 34.852 ( 0.000 10.759 -10.293) 14.890 35.883 ( -0.000 -9.746 10.620) 14.414 36.212 ( -0.000 -4.257 -5.756) 7.159 ======================= Grid point 528 (172/215) ======================= q-point: (-0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( -0.000 -0.000 6.154) 6.154 3.496 ( -0.000 -0.000 -16.390) 16.390 4.386 ( -0.000 -0.000 -1.210) 1.210 4.457 ( 0.000 0.000 -5.339) 5.339 4.760 ( 0.000 0.000 38.036) 38.036 5.282 ( -0.000 -0.000 7.116) 7.116 5.430 ( -0.000 -0.000 -0.979) 0.979 5.959 ( -0.000 -0.000 -18.300) 18.300 6.458 ( -0.000 -0.000 0.755) 0.755 6.671 ( 0.000 0.000 -6.046) 6.046 6.913 ( -0.000 -0.000 24.068) 24.068 7.424 ( -0.000 -0.000 2.530) 2.530 7.838 ( 0.000 0.000 -8.997) 8.997 7.889 ( -0.000 -0.000 -16.675) 16.675 8.496 ( 0.000 0.000 27.083) 27.083 9.614 ( -0.000 -0.000 -28.068) 28.068 10.652 ( 0.000 0.000 4.579) 4.579 10.828 ( -0.000 -0.000 -4.497) 4.497 13.934 ( -0.000 -0.000 15.339) 15.339 13.945 ( -0.000 -0.000 13.791) 13.791 14.486 ( -0.000 -0.000 -13.085) 13.085 14.562 ( -0.000 -0.000 -15.550) 15.550 17.281 ( -0.000 -0.000 7.575) 7.575 17.562 ( -0.000 -0.000 -6.409) 6.409 17.695 ( -0.000 -0.000 -0.684) 0.684 17.742 ( -0.000 -0.000 -2.930) 2.930 20.033 ( -0.000 -0.000 3.950) 3.950 20.162 ( -0.000 -0.000 -1.949) 1.949 29.027 ( -0.000 -0.000 2.355) 2.355 29.141 ( 0.000 0.000 -3.298) 3.298 29.665 ( -0.000 -0.000 7.055) 7.055 29.960 ( -0.000 -0.000 -7.458) 7.458 34.614 ( 0.000 0.000 5.062) 5.062 34.980 ( -0.000 -0.000 -12.365) 12.365 35.766 ( 0.000 0.000 13.880) 13.880 36.167 ( -0.000 -0.000 -6.749) 6.749 ======================= Grid point 596 (173/215) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.131 ( 0.000 0.000 -32.276) 32.276 3.131 ( 0.000 0.000 32.276) 32.276 3.319 ( 0.000 0.000 -39.378) 39.378 3.319 ( 0.000 0.000 39.378) 39.378 3.668 ( 0.000 0.000 -20.356) 20.356 3.668 ( 0.000 0.000 20.356) 20.356 4.652 ( 0.000 0.000 -9.918) 9.918 4.652 ( 0.000 0.000 9.918) 9.918 6.932 ( 0.000 0.000 -17.662) 17.662 6.932 ( 0.000 0.000 17.662) 17.662 7.302 ( 0.000 0.000 -25.627) 25.627 7.302 ( 0.000 0.000 25.627) 25.627 8.318 ( 0.000 0.000 -6.355) 6.355 8.318 ( 0.000 0.000 6.355) 6.355 9.436 ( 0.000 0.000 -15.354) 15.354 9.436 ( 0.000 0.000 15.354) 15.354 12.660 ( 0.000 0.000 -4.562) 4.562 12.660 ( 0.000 0.000 4.562) 4.562 13.760 ( 0.000 0.000 -8.227) 8.227 13.760 ( 0.000 0.000 8.227) 8.227 14.045 ( 0.000 0.000 -3.684) 3.684 14.045 ( 0.000 0.000 3.684) 3.684 17.487 ( 0.000 0.000 -0.832) 0.832 17.487 ( 0.000 0.000 0.832) 0.832 17.563 ( 0.000 0.000 -0.772) 0.772 17.563 ( 0.000 0.000 0.772) 0.772 20.269 ( 0.000 0.000 -4.871) 4.871 20.269 ( 0.000 0.000 4.871) 4.871 28.803 ( 0.000 0.000 -0.068) 0.068 28.803 ( 0.000 0.000 0.068) 0.068 29.468 ( 0.000 0.000 -7.115) 7.115 29.468 ( 0.000 0.000 7.115) 7.115 33.149 ( 0.000 0.000 -3.331) 3.331 33.149 ( 0.000 0.000 3.331) 3.331 37.122 ( 0.000 0.000 -6.778) 6.778 37.122 ( 0.000 0.000 6.778) 6.778 ======================= Grid point 598 (174/215) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( -8.882 -1.480 -25.460) 27.005 3.055 ( -8.882 -1.480 25.460) 27.005 3.283 ( 0.460 -6.751 -25.464) 26.348 3.283 ( 0.460 -6.751 25.464) 26.348 4.035 ( 32.446 -1.651 -24.377) 40.616 4.035 ( 32.446 -1.651 24.377) 40.616 4.786 ( 13.777 -4.128 -9.407) 17.185 4.786 ( 13.777 -4.128 9.407) 17.185 7.012 ( 8.605 -0.544 -14.891) 17.207 7.012 ( 8.605 -0.544 14.891) 17.207 7.294 ( 3.448 6.562 -20.243) 21.558 7.294 ( 3.448 6.562 20.243) 21.558 8.284 ( -2.736 1.977 -5.832) 6.739 8.284 ( -2.736 1.977 5.832) 6.739 9.425 ( -7.044 -8.035 -14.944) 18.371 9.425 ( -7.044 -8.035 14.944) 18.371 12.444 ( -14.893 13.918 -4.383) 20.850 12.444 ( -14.893 13.918 4.383) 20.850 13.732 ( -2.534 -0.057 -8.305) 8.683 13.732 ( -2.534 -0.057 8.305) 8.683 14.147 ( 10.125 0.571 -4.499) 11.094 14.147 ( 10.125 0.571 4.499) 11.094 17.449 ( -3.869 -0.341 -1.615) 4.206 17.449 ( -3.869 -0.341 1.615) 4.206 17.583 ( 0.555 -2.068 -0.533) 2.207 17.583 ( 0.555 -2.068 0.533) 2.207 20.244 ( -4.291 -2.144 -3.176) 5.752 20.244 ( -4.291 -2.144 3.176) 5.752 28.756 ( -5.412 -1.723 -0.542) 5.705 28.756 ( -5.412 -1.723 0.542) 5.705 29.689 ( 24.034 -0.685 -9.357) 25.800 29.689 ( 24.034 -0.685 9.357) 25.800 33.173 ( -1.021 -6.170 -3.792) 7.314 33.173 ( -1.021 -6.170 3.792) 7.314 37.034 ( -7.598 4.359 -5.231) 10.203 37.034 ( -7.598 4.359 5.231) 10.203 ======================= Grid point 600 (175/215) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( -0.365 -6.112 -27.475) 28.149 3.011 ( -0.365 -6.112 27.475) 28.149 3.423 ( 3.814 -10.850 -30.500) 32.596 3.423 ( 3.814 -10.850 30.500) 32.596 4.605 ( 37.144 2.229 -17.553) 41.143 4.605 ( 37.144 2.229 17.553) 41.143 5.162 ( 23.156 -9.043 -7.532) 25.975 5.162 ( 23.156 -9.043 7.532) 25.975 7.155 ( 7.544 2.883 -11.727) 14.239 7.155 ( 7.544 2.883 11.727) 14.239 7.291 ( 5.919 6.364 -6.744) 11.001 7.291 ( 5.919 6.364 6.744) 11.001 8.200 ( -2.916 4.365 -6.508) 8.361 8.200 ( -2.916 4.365 6.508) 8.361 9.352 ( -14.804 -10.031 -13.881) 22.637 9.352 ( -14.804 -10.031 13.881) 22.637 11.999 ( -16.327 18.096 -6.781) 25.299 11.999 ( -16.327 18.096 6.781) 25.299 13.690 ( -2.745 0.133 -8.108) 8.561 13.690 ( -2.745 0.133 8.108) 8.561 14.293 ( 9.152 2.413 -4.992) 10.701 14.293 ( 9.152 2.413 4.992) 10.701 17.399 ( -2.671 -1.254 -2.341) 3.767 17.399 ( -2.671 -1.254 2.341) 3.767 17.615 ( -0.111 -3.176 -0.360) 3.198 17.615 ( -0.111 -3.176 0.360) 3.198 20.188 ( -5.945 -3.375 -1.361) 6.970 20.188 ( -5.945 -3.375 1.361) 6.970 28.692 ( -4.882 -2.037 -1.198) 5.424 28.692 ( -4.882 -2.037 1.198) 5.424 30.153 ( 31.023 0.759 -13.022) 33.654 30.153 ( 31.023 0.759 13.022) 33.654 33.245 ( -1.246 -10.995 -4.720) 12.030 33.245 ( -1.246 -10.995 4.720) 12.030 36.812 ( -11.832 6.732 -2.763) 13.890 36.812 ( -11.832 6.732 2.763) 13.890 ======================= Grid point 602 (176/215) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( 7.327 -10.494 -17.566) 21.734 3.163 ( 7.327 -10.494 17.566) 21.734 3.614 ( 5.800 -10.594 -24.088) 26.946 3.614 ( 5.800 -10.594 24.088) 26.946 5.150 ( 32.895 2.802 -11.584) 34.987 5.150 ( 32.895 2.802 11.584) 34.987 5.675 ( 27.325 -9.056 -3.494) 28.998 5.675 ( 27.325 -9.056 3.494) 28.998 7.158 ( 4.546 11.796 -23.841) 26.985 7.158 ( 4.546 11.796 23.841) 26.985 7.331 ( -1.112 -1.374 -10.595) 10.741 7.331 ( -1.112 -1.374 10.595) 10.741 8.121 ( -0.077 5.468 -12.875) 13.989 8.121 ( -0.077 5.468 12.875) 13.989 9.149 ( -19.910 -5.651 -10.564) 23.237 9.149 ( -19.910 -5.651 10.564) 23.237 11.606 ( -10.615 13.663 -7.846) 18.997 11.606 ( -10.615 13.663 7.846) 18.997 13.639 ( -3.119 0.633 -7.301) 7.965 13.639 ( -3.119 0.633 7.301) 7.965 14.385 ( 5.956 2.950 -4.907) 8.261 14.385 ( 5.956 2.950 4.907) 8.261 17.400 ( 0.832 -1.752 -1.564) 2.492 17.400 ( 0.832 -1.752 1.564) 2.492 17.643 ( -0.884 -3.429 -1.484) 3.839 17.643 ( -0.884 -3.429 1.484) 3.839 20.131 ( -5.433 -3.414 -4.637) 7.917 20.131 ( -5.433 -3.414 4.637) 7.917 28.640 ( -4.021 -1.597 -1.801) 4.686 28.640 ( -4.021 -1.597 1.801) 4.686 30.611 ( 27.260 3.161 -13.723) 30.682 30.611 ( 27.260 3.161 13.723) 30.682 33.360 ( -0.501 -12.985 -6.128) 14.366 33.360 ( -0.501 -12.985 6.128) 14.366 36.542 ( -12.062 6.792 -3.284) 14.227 36.542 ( -12.062 6.792 3.284) 14.227 ======================= Grid point 604 (177/215) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.410 ( 7.520 -10.486 -8.750) 15.591 3.410 ( 7.520 -10.486 8.750) 15.591 3.844 ( 10.023 -9.581 -15.542) 20.829 3.844 ( 10.023 -9.581 15.542) 20.829 5.584 ( 22.693 0.185 -8.874) 24.367 5.584 ( 22.693 0.185 8.874) 24.367 6.194 ( 26.674 -5.156 -1.702) 27.221 6.194 ( 26.674 -5.156 1.702) 27.221 7.072 ( -6.559 3.625 -18.257) 19.735 7.072 ( -6.559 3.625 18.257) 19.735 7.255 ( 0.801 11.419 -8.987) 14.553 7.255 ( 0.801 11.419 8.987) 14.553 8.055 ( -5.661 1.732 -18.363) 19.294 8.055 ( -5.661 1.732 18.363) 19.294 8.901 ( -13.145 -2.438 -10.761) 17.162 8.901 ( -13.145 -2.438 10.761) 17.162 11.370 ( -5.643 7.313 -6.122) 11.082 11.370 ( -5.643 7.313 6.122) 11.082 13.580 ( -2.984 0.965 -6.117) 6.874 13.580 ( -2.984 0.965 6.117) 6.874 14.431 ( 3.446 2.355 -4.857) 6.404 14.431 ( 3.446 2.355 4.857) 6.404 17.455 ( 3.447 -1.434 -0.293) 3.745 17.455 ( 3.447 -1.434 0.293) 3.745 17.656 ( -1.728 -3.000 -2.825) 4.468 17.656 ( -1.728 -3.000 2.825) 4.468 20.087 ( -3.909 -2.602 -7.413) 8.775 20.087 ( -3.909 -2.602 7.413) 8.775 28.596 ( -3.089 -0.966 -2.243) 3.938 28.596 ( -3.089 -0.966 2.243) 3.938 30.946 ( 18.785 3.946 -11.559) 22.407 30.946 ( 18.785 3.946 11.559) 22.407 33.491 ( 0.446 -11.274 -8.294) 14.004 33.491 ( 0.446 -11.274 8.294) 14.004 36.301 ( -9.414 5.259 -4.259) 11.594 36.301 ( -9.414 5.259 4.259) 11.594 ======================= Grid point 606 (178/215) ======================= q-point: ( 0.42 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.582 ( 3.042 -5.633 -4.549) 7.853 3.582 ( 3.042 -5.633 4.549) 7.853 4.117 ( 10.557 -7.374 -7.951) 15.134 4.117 ( 10.557 -7.374 7.951) 15.134 5.883 ( 13.564 -1.913 -11.217) 17.705 5.883 ( 13.564 -1.913 11.217) 17.705 6.590 ( 14.621 -3.244 -7.805) 16.888 6.590 ( 14.621 -3.244 7.805) 16.888 6.842 ( -14.669 2.682 -1.773) 15.017 6.842 ( -14.669 2.682 1.773) 15.017 7.223 ( 13.015 15.171 -12.979) 23.833 7.223 ( 13.015 15.171 12.979) 23.833 7.874 ( -15.789 -2.815 -13.014) 20.654 7.874 ( -15.789 -2.815 13.014) 20.654 8.816 ( -1.717 -1.997 -13.592) 13.844 8.816 ( -1.717 -1.997 13.592) 13.844 11.251 ( -2.712 3.049 -4.002) 5.716 11.251 ( -2.712 3.049 4.002) 5.716 13.530 ( -1.872 0.739 -5.175) 5.552 13.530 ( -1.872 0.739 5.175) 5.552 14.452 ( 1.616 1.266 -4.856) 5.272 14.452 ( 1.616 1.266 4.856) 5.272 17.527 ( 3.837 -0.494 -0.520) 3.903 17.527 ( 3.837 -0.494 0.520) 3.903 17.649 ( -2.334 -2.035 -4.757) 5.676 17.649 ( -2.334 -2.035 4.757) 5.676 20.060 ( -2.005 -1.373 -9.128) 9.446 20.060 ( -2.005 -1.373 9.128) 9.446 28.563 ( -1.735 -0.420 -2.530) 3.097 28.563 ( -1.735 -0.420 2.530) 3.097 31.136 ( 9.303 2.567 -8.919) 13.141 31.136 ( 9.303 2.567 8.919) 13.141 33.596 ( 0.636 -6.449 -10.349) 12.210 33.596 ( 0.636 -6.449 10.349) 12.210 36.140 ( -5.098 2.838 -4.452) 7.339 36.140 ( -5.098 2.838 4.452) 7.339 ======================= Grid point 608 (179/215) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.634 ( 0.000 -0.000 -1.559) 1.559 3.634 ( 0.000 -0.000 1.559) 1.559 4.256 ( 0.000 -0.000 -5.088) 5.088 4.256 ( 0.000 -0.000 5.088) 5.088 6.026 ( 0.000 -0.000 -19.437) 19.437 6.026 ( 0.000 -0.000 19.437) 19.437 6.626 ( 0.000 -0.000 -12.206) 12.206 6.626 ( 0.000 -0.000 12.206) 12.206 6.765 ( 0.000 -0.000 -6.660) 6.660 6.765 ( 0.000 0.000 6.660) 6.660 7.286 ( 0.000 -0.000 -18.869) 18.869 7.286 ( 0.000 0.000 18.869) 18.869 7.722 ( 0.000 -0.000 -3.204) 3.204 7.722 ( 0.000 -0.000 3.204) 3.204 8.823 ( 0.000 -0.000 -13.060) 13.060 8.823 ( 0.000 -0.000 13.060) 13.060 11.214 ( 0.000 -0.000 -3.073) 3.073 11.214 ( 0.000 -0.000 3.073) 3.073 13.510 ( 0.000 -0.000 -4.860) 4.860 13.510 ( 0.000 -0.000 4.860) 4.860 14.458 ( 0.000 -0.000 -4.863) 4.863 14.458 ( 0.000 -0.000 4.863) 4.863 17.568 ( 0.000 -0.000 -1.940) 1.940 17.568 ( 0.000 -0.000 1.940) 1.940 17.635 ( 0.000 -0.000 -7.419) 7.419 17.635 ( 0.000 -0.000 7.419) 7.419 20.051 ( 0.000 -0.000 -9.703) 9.703 20.051 ( 0.000 -0.000 9.703) 9.703 28.551 ( 0.000 -0.000 -2.633) 2.633 28.551 ( 0.000 -0.000 2.633) 2.633 31.197 ( 0.000 -0.000 -7.774) 7.774 31.197 ( 0.000 -0.000 7.774) 7.774 33.637 ( 0.000 -0.000 -11.180) 11.180 33.637 ( 0.000 -0.000 11.180) 11.180 36.083 ( 0.000 -0.000 -4.415) 4.415 36.083 ( 0.000 -0.000 4.415) 4.415 ======================= Grid point 624 (180/215) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( -2.187 0.000 -27.592) 27.678 2.946 ( -2.187 0.000 27.592) 27.678 3.305 ( 6.467 -0.000 -33.135) 33.760 3.305 ( 6.467 -0.000 33.135) 33.760 4.641 ( 40.578 -0.000 -21.838) 46.081 4.641 ( 40.578 -0.000 21.838) 46.081 5.051 ( 21.309 -0.000 -8.159) 22.818 5.051 ( 21.309 -0.000 8.159) 22.818 7.162 ( 9.345 -0.000 -3.250) 9.894 7.162 ( 9.345 -0.000 3.250) 9.894 7.397 ( 3.342 -0.000 -7.242) 7.976 7.397 ( 3.342 -0.000 7.242) 7.976 8.252 ( -1.774 0.000 -4.854) 5.168 8.252 ( -1.774 0.000 4.854) 5.168 9.220 ( -13.045 0.000 -8.995) 15.846 9.220 ( -13.045 0.000 8.995) 15.846 12.206 ( -21.207 0.000 -1.261) 21.244 12.206 ( -21.207 0.000 1.261) 21.244 13.693 ( -2.242 0.000 -9.118) 9.389 13.693 ( -2.242 0.000 9.118) 9.389 14.326 ( 9.970 -0.000 -4.272) 10.847 14.326 ( 9.970 -0.000 4.272) 10.847 17.380 ( -3.364 0.000 -2.310) 4.080 17.380 ( -3.364 0.000 2.310) 4.080 17.578 ( 0.140 -0.000 -0.604) 0.620 17.578 ( 0.140 -0.000 0.604) 0.620 20.146 ( -5.864 0.000 -1.855) 6.150 20.146 ( -5.864 0.000 1.855) 6.150 28.669 ( -4.223 0.000 -0.701) 4.281 28.669 ( -4.223 0.000 0.701) 4.281 30.163 ( 32.751 -0.000 -14.392) 35.774 30.163 ( 32.751 -0.000 14.392) 35.774 33.124 ( -0.714 0.000 -2.956) 3.041 33.124 ( -0.714 0.000 2.956) 3.041 36.886 ( -12.991 0.000 -2.705) 13.270 36.886 ( -12.991 0.000 2.705) 13.270 ======================= Grid point 626 (181/215) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( 6.983 -3.987 -21.232) 22.703 3.007 ( 6.983 -3.987 21.232) 22.703 3.463 ( 10.068 -3.566 -30.726) 32.529 3.463 ( 10.068 -3.566 30.726) 32.529 5.242 ( 34.171 5.220 -15.841) 38.024 5.242 ( 34.171 5.220 15.841) 38.024 5.481 ( 27.852 -7.998 -3.453) 29.183 5.481 ( 27.852 -7.998 3.453) 29.183 7.299 ( 5.871 -0.502 -1.559) 6.095 7.299 ( 5.871 -0.502 1.559) 6.095 7.357 ( -3.770 5.041 -13.770) 15.141 7.357 ( -3.770 5.041 13.770) 15.141 8.234 ( 1.352 4.045 -11.715) 12.467 8.234 ( 1.352 4.045 11.715) 12.467 9.005 ( -17.198 -5.569 -7.206) 19.461 9.005 ( -17.198 -5.569 7.206) 19.461 11.836 ( -18.574 6.456 -3.920) 20.051 11.836 ( -18.574 6.456 3.920) 20.051 13.656 ( -1.992 0.657 -9.104) 9.343 13.656 ( -1.992 0.657 9.104) 9.343 14.443 ( 5.876 1.895 -3.189) 6.949 14.443 ( 5.876 1.895 3.189) 6.949 17.362 ( 0.405 -1.373 -1.801) 2.301 17.362 ( 0.405 -1.373 1.801) 2.301 17.585 ( -0.348 -1.554 -0.114) 1.596 17.585 ( -0.348 -1.554 0.114) 1.596 20.067 ( -5.114 -1.954 -1.424) 5.657 20.067 ( -5.114 -1.954 1.424) 5.657 28.614 ( -3.270 -0.706 -0.620) 3.402 28.614 ( -3.270 -0.706 0.620) 3.402 30.669 ( 29.345 1.756 -17.222) 34.071 30.669 ( 29.345 1.756 17.222) 34.071 33.159 ( 1.752 -5.277 -2.552) 6.118 33.159 ( 1.752 -5.277 2.552) 6.118 36.644 ( -14.490 2.599 -1.237) 14.773 36.644 ( -14.490 2.599 1.237) 14.773 ======================= Grid point 628 (182/215) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( 12.075 -6.494 -11.277) 17.752 3.227 ( 12.075 -6.494 11.277) 17.752 3.691 ( 12.823 -4.741 -23.092) 26.836 3.691 ( 12.823 -4.741 23.092) 26.836 5.631 ( 21.794 4.115 -10.567) 24.568 5.631 ( 21.794 4.115 10.567) 24.568 6.051 ( 29.232 -7.816 -2.176) 30.337 6.051 ( 29.232 -7.816 2.176) 30.337 7.126 ( -15.954 1.754 -5.900) 17.100 7.126 ( -15.954 1.754 5.900) 17.100 7.431 ( 9.749 4.703 -16.974) 20.132 7.431 ( 9.749 4.703 16.974) 20.132 8.152 ( -6.580 6.867 -20.572) 22.664 8.152 ( -6.580 6.867 20.572) 22.664 8.813 ( -12.080 -5.530 -9.873) 16.552 8.813 ( -12.080 -5.530 9.873) 16.552 11.513 ( -12.992 5.675 -5.829) 15.329 11.513 ( -12.992 5.675 5.829) 15.329 13.614 ( -1.544 1.817 -8.604) 8.928 13.614 ( -1.544 1.817 8.604) 8.928 14.486 ( 2.717 2.475 -2.757) 4.594 14.486 ( 2.717 2.475 2.757) 4.594 17.416 ( 3.662 -1.984 -0.959) 4.273 17.416 ( 3.662 -1.984 0.959) 4.273 17.596 ( -0.867 -2.245 -1.128) 2.658 17.596 ( -0.867 -2.245 1.128) 2.658 20.023 ( -3.498 -2.859 -4.079) 6.087 20.023 ( -3.498 -2.859 4.079) 6.087 28.575 ( -2.600 -0.846 -0.931) 2.888 28.575 ( -2.600 -0.846 0.931) 2.888 31.033 ( 18.972 3.739 -15.430) 24.739 31.033 ( 18.972 3.739 15.430) 24.739 33.289 ( 5.712 -7.313 -4.483) 10.306 33.289 ( 5.712 -7.313 4.483) 10.306 36.390 ( -12.756 2.985 -2.792) 13.395 36.390 ( -12.756 2.985 2.792) 13.395 ======================= Grid point 630 (183/215) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( 10.688 -4.213 -5.004) 12.531 3.478 ( 10.688 -4.213 5.004) 12.531 3.976 ( 15.109 -5.569 -13.864) 21.249 3.976 ( 15.109 -5.569 13.864) 21.249 5.878 ( 13.201 1.832 -8.400) 15.754 5.878 ( 13.201 1.832 8.400) 15.754 6.511 ( 16.624 -4.519 -5.953) 18.227 6.511 ( 16.624 -4.519 5.953) 18.227 6.847 ( -15.005 -0.807 -4.258) 15.618 6.847 ( -15.005 -0.807 4.258) 15.618 7.507 ( 5.724 7.467 -13.512) 16.465 7.507 ( 5.724 7.467 13.512) 16.465 7.876 ( -15.693 5.476 -18.317) 24.734 7.876 ( -15.693 5.476 18.317) 24.734 8.765 ( -0.339 -2.997 -12.993) 13.338 8.765 ( -0.339 -2.997 12.993) 13.338 11.302 ( -8.543 1.881 -4.943) 10.048 11.302 ( -8.543 1.881 4.943) 10.048 13.572 ( -0.460 2.811 -7.840) 8.342 13.572 ( -0.460 2.811 7.840) 8.342 14.489 ( 0.752 2.013 -3.648) 4.233 14.489 ( 0.752 2.013 3.648) 4.233 17.503 ( 4.075 -1.700 -2.187) 4.927 17.503 ( 4.075 -1.700 2.187) 4.927 17.604 ( -0.782 -1.948 -3.417) 4.010 17.604 ( -0.782 -1.948 3.417) 4.010 20.012 ( -1.689 -2.810 -6.628) 7.395 20.012 ( -1.689 -2.810 6.628) 7.395 28.549 ( -1.587 -0.793 -1.716) 2.468 28.549 ( -1.587 -0.793 1.716) 2.468 31.205 ( 7.549 3.553 -11.477) 14.189 31.205 ( 7.549 3.553 11.477) 14.189 33.474 ( 8.552 -4.891 -8.116) 12.764 33.474 ( 8.552 -4.891 8.116) 12.764 36.187 ( -9.068 1.615 -3.446) 9.835 36.187 ( -9.068 1.615 3.446) 9.835 ======================= Grid point 632 (184/215) ======================= q-point: ( 0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.643 ( 7.503 0.624 -1.982) 7.785 3.643 ( 7.503 0.624 1.982) 7.785 4.235 ( 9.715 -1.833 -7.452) 12.380 4.235 ( 9.715 -1.833 7.452) 12.381 6.019 ( 4.058 -0.200 -15.090) 15.628 6.019 ( 4.058 -0.200 15.090) 15.628 6.526 ( -9.386 -4.256 -7.765) 12.903 6.526 ( -9.386 -4.256 7.765) 12.903 6.835 ( 5.133 1.396 -2.621) 5.930 6.835 ( 5.133 1.396 2.621) 5.930 7.299 ( -23.346 0.174 -16.331) 28.491 7.299 ( -23.346 0.174 16.331) 28.491 7.780 ( 10.866 6.134 -2.394) 12.706 7.780 ( 10.866 6.134 2.394) 12.706 8.815 ( 2.873 -0.724 -13.082) 13.413 8.815 ( 2.873 -0.724 13.082) 13.413 11.192 ( -5.206 -1.822 -3.198) 6.375 11.192 ( -5.206 -1.822 3.198) 6.375 13.547 ( 1.338 3.156 -6.965) 7.763 13.547 ( 1.338 3.156 6.965) 7.763 14.471 ( -0.781 1.159 -4.813) 5.012 14.471 ( -0.781 1.159 4.813) 5.012 17.551 ( -0.916 -1.522 -1.766) 2.504 17.551 ( -0.916 -1.522 1.766) 2.504 17.630 ( 2.922 -0.345 -6.030) 6.709 17.630 ( 2.922 -0.345 6.030) 6.709 20.026 ( 0.132 -2.183 -8.477) 8.755 20.026 ( 0.132 -2.183 8.477) 8.755 28.544 ( -0.019 -0.667 -2.597) 2.682 28.544 ( -0.019 -0.667 2.597) 2.682 31.217 ( -2.235 1.706 -8.598) 9.046 31.217 ( -2.235 1.706 8.598) 9.046 33.642 ( 8.871 0.516 -10.666) 13.883 33.642 ( 8.871 0.516 10.666) 13.883 36.073 ( -4.311 -0.851 -3.810) 5.816 36.073 ( -4.311 -0.851 3.810) 5.816 ======================= Grid point 634 (185/215) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.707 ( 4.608 5.896 -2.659) 7.941 3.707 ( 4.608 5.896 2.659) 7.941 4.268 ( -2.556 6.652 -5.302) 8.883 4.268 ( -2.556 6.652 5.302) 8.883 5.938 ( -11.939 2.879 -15.703) 19.935 5.938 ( -11.939 2.879 15.703) 19.935 6.555 ( -6.806 -10.273 -9.160) 15.354 6.555 ( -6.806 -10.273 9.160) 15.354 6.766 ( -4.114 0.753 -4.640) 6.247 6.766 ( -4.114 0.753 4.640) 6.247 7.020 ( -9.954 -4.581 -13.836) 17.650 7.020 ( -9.954 -4.581 13.836) 17.650 7.939 ( 12.576 3.268 -9.031) 15.824 7.939 ( 12.576 3.268 9.031) 15.824 8.854 ( 2.920 1.620 -13.722) 14.123 8.854 ( 2.920 1.620 13.722) 14.123 11.168 ( -2.213 -4.802 -2.455) 5.829 11.168 ( -2.213 -4.802 2.455) 5.829 13.553 ( 3.347 2.856 -5.961) 7.409 13.553 ( 3.347 2.856 5.961) 7.409 14.440 ( -2.196 0.169 -5.852) 6.253 14.440 ( -2.196 0.169 5.852) 6.253 17.526 ( -3.060 -0.569 -0.727) 3.196 17.526 ( -3.060 -0.569 0.727) 3.196 17.681 ( 3.187 0.924 -5.194) 6.163 17.681 ( 3.187 0.924 5.194) 6.163 20.061 ( 1.948 -1.260 -9.357) 9.641 20.061 ( 1.948 -1.260 9.357) 9.641 28.564 ( 1.880 -0.365 -3.291) 3.808 28.564 ( 1.880 -0.365 3.291) 3.808 31.105 ( -10.650 -0.403 -7.946) 13.294 31.105 ( -10.650 -0.403 7.946) 13.294 33.737 ( 7.460 6.733 -11.372) 15.176 33.737 ( 7.460 6.733 11.372) 15.176 36.069 ( 0.836 -3.736 -4.381) 5.819 36.069 ( 0.836 -3.736 4.381) 5.819 ======================= Grid point 636 (186/215) ======================= q-point: (-0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.651 ( -0.917 11.773 -6.762) 13.608 3.651 ( -0.917 11.773 6.762) 13.608 4.075 ( -6.254 11.811 -8.252) 15.707 4.075 ( -6.254 11.811 8.252) 15.707 5.617 ( -23.721 3.054 -6.415) 24.762 5.617 ( -23.721 3.054 6.415) 24.762 6.249 ( -25.594 -0.301 -3.303) 25.808 6.249 ( -25.594 -0.301 3.303) 25.808 6.886 ( -7.085 -14.179 -8.354) 17.917 6.886 ( -7.085 -14.179 8.354) 17.917 7.092 ( 16.652 -2.256 -4.364) 17.362 7.092 ( 16.652 -2.256 4.364) 17.362 8.053 ( 2.670 0.685 -15.519) 15.762 8.053 ( 2.670 0.685 15.519) 15.762 8.926 ( 9.860 0.605 -12.853) 16.210 8.926 ( 9.860 0.605 12.853) 16.210 11.216 ( 0.062 -7.379 -3.413) 8.130 11.216 ( 0.062 -7.379 3.413) 8.130 13.592 ( 4.685 2.306 -5.122) 7.314 13.592 ( 4.685 2.306 5.122) 7.314 14.397 ( -3.628 -0.785 -6.625) 7.594 14.397 ( -3.628 -0.785 6.625) 7.594 17.475 ( -3.007 0.508 -1.265) 3.302 17.475 ( -3.007 0.508 1.265) 3.302 17.708 ( 1.988 1.811 -4.093) 4.898 17.708 ( 1.988 1.811 4.093) 4.898 20.114 ( 3.699 -0.180 -9.104) 9.829 20.114 ( 3.699 -0.180 9.104) 9.829 28.610 ( 3.684 0.293 -3.550) 5.124 28.610 ( 3.684 0.293 3.550) 5.124 30.884 ( -18.235 -1.785 -8.934) 20.384 30.884 ( -18.235 -1.785 8.934) 20.384 33.742 ( 5.629 12.162 -10.596) 17.085 33.742 ( 5.629 12.162 10.596) 17.085 36.176 ( 5.475 -6.496 -4.757) 9.737 36.176 ( 5.475 -6.496 4.757) 9.737 ======================= Grid point 638 (187/215) ======================= q-point: (-0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( -6.855 14.729 -12.570) 20.542 3.433 ( -6.855 14.729 12.570) 20.542 3.885 ( -0.539 14.154 -14.568) 20.319 3.885 ( -0.539 14.154 14.568) 20.319 5.129 ( -33.161 0.751 -8.229) 34.175 5.129 ( -33.161 0.751 8.229) 34.175 5.827 ( -24.106 4.827 -1.744) 24.647 5.827 ( -24.106 4.827 1.744) 24.647 6.905 ( -5.228 -11.299 -18.289) 22.124 6.905 ( -5.228 -11.299 18.289) 22.124 7.343 ( 6.964 -0.772 -6.727) 9.713 7.343 ( 6.964 -0.772 6.727) 9.713 8.032 ( -3.206 -2.701 -16.735) 17.252 8.032 ( -3.206 -2.701 16.735) 17.252 9.185 ( 19.525 -2.313 -9.308) 21.753 9.185 ( 19.525 -2.313 9.308) 21.753 11.330 ( 2.146 -11.660 -5.676) 13.144 11.330 ( 2.146 -11.660 5.676) 13.144 13.648 ( 4.750 1.844 -5.201) 7.281 13.648 ( 4.750 1.844 5.201) 7.281 14.337 ( -5.304 -1.397 -7.081) 8.957 14.337 ( -5.304 -1.397 7.081) 8.957 17.429 ( -1.319 1.015 -1.582) 2.297 17.429 ( -1.319 1.015 1.582) 2.297 17.708 ( 0.851 2.459 -2.850) 3.859 17.708 ( 0.851 2.459 2.850) 3.859 20.182 ( 5.103 0.978 -7.606) 9.211 20.182 ( 5.103 0.978 7.606) 9.211 28.673 ( 5.145 1.369 -3.213) 6.219 28.673 ( 5.145 1.369 3.213) 6.219 30.557 ( -24.502 -1.712 -10.257) 26.618 30.557 ( -24.502 -1.712 10.257) 26.618 33.670 ( 4.101 15.808 -9.188) 18.738 33.670 ( 4.101 15.808 9.188) 18.738 36.373 ( 8.588 -8.881 -4.398) 13.114 36.373 ( 8.588 -8.881 4.398) 13.114 ======================= Grid point 640 (188/215) ======================= q-point: (-0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( -2.842 11.657 -21.802) 24.886 3.200 ( -2.842 11.657 21.802) 24.886 3.725 ( -0.350 16.470 -21.693) 27.239 3.725 ( -0.350 16.470 21.693) 27.239 4.584 ( -31.923 0.712 -11.483) 33.933 4.584 ( -31.923 0.712 11.483) 33.933 5.370 ( -22.775 9.536 -5.802) 25.363 5.370 ( -22.775 9.536 5.802) 25.363 6.961 ( -2.995 -11.464 -20.624) 23.785 6.961 ( -2.995 -11.464 20.624) 23.785 7.284 ( -9.751 3.099 -17.258) 20.063 7.284 ( -9.751 3.099 17.258) 20.063 8.087 ( 3.328 -6.046 -10.980) 12.969 8.087 ( 3.328 -6.046 10.980) 12.969 9.512 ( 18.312 2.531 -14.890) 23.737 9.512 ( 18.312 2.531 14.890) 23.737 11.559 ( 5.991 -20.602 -8.223) 22.978 11.559 ( 5.991 -20.602 8.223) 22.978 13.700 ( 3.812 1.452 -6.002) 7.257 13.700 ( 3.812 1.452 6.002) 7.257 14.252 ( -7.106 -1.200 -7.178) 10.171 14.252 ( -7.106 -1.200 7.178) 10.171 17.420 ( 1.398 0.698 -2.299) 2.779 17.420 ( 1.398 0.698 2.299) 2.779 17.686 ( -0.003 2.963 -1.676) 3.404 17.686 ( -0.003 2.963 1.676) 3.404 20.253 ( 5.544 2.079 -4.830) 7.641 20.253 ( 5.544 2.079 4.830) 7.641 28.745 ( 6.357 2.684 -2.248) 7.257 28.745 ( 6.357 2.684 2.248) 7.257 30.143 ( -27.339 -0.003 -10.450) 29.269 30.143 ( -27.339 -0.003 10.450) 29.269 33.551 ( 2.812 17.041 -7.822) 18.960 33.551 ( 2.812 17.041 7.822) 18.960 36.623 ( 9.183 -10.585 -3.319) 14.401 36.623 ( 9.183 -10.585 3.319) 14.401 ======================= Grid point 642 (189/215) ======================= q-point: (-0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( 7.118 6.261 -30.203) 31.655 3.137 ( 7.118 6.261 30.203) 31.655 3.508 ( -7.087 12.814 -28.530) 32.069 3.508 ( -7.088 12.814 28.530) 32.069 4.124 ( -19.473 7.585 -16.384) 26.555 4.124 ( -19.473 7.585 16.384) 26.555 4.939 ( -15.898 9.615 -8.575) 20.463 4.939 ( -15.898 9.615 8.575) 20.463 7.013 ( -4.843 -3.615 -16.435) 17.511 7.013 ( -4.843 -3.615 16.435) 17.511 7.109 ( -6.793 -5.696 -16.537) 18.763 7.109 ( -6.793 -5.696 16.537) 18.763 8.207 ( 3.113 -5.129 -8.747) 10.607 8.207 ( 3.113 -5.129 8.747) 10.607 9.663 ( 9.050 10.986 -19.661) 24.272 9.663 ( 9.050 10.986 19.661) 24.272 11.950 ( 8.261 -29.208 -7.852) 31.353 11.950 ( 8.261 -29.208 7.852) 31.353 13.739 ( 2.606 0.881 -6.653) 7.200 13.739 ( 2.606 0.881 6.653) 7.200 14.139 ( -7.148 0.113 -6.755) 9.835 14.139 ( -7.148 0.113 6.755) 9.835 17.453 ( 2.663 -0.018 -2.318) 3.531 17.453 ( 2.663 -0.018 2.318) 3.531 17.649 ( -0.415 3.342 -1.044) 3.526 17.649 ( -0.415 3.342 1.044) 3.526 20.307 ( 4.021 2.905 -1.099) 5.081 20.307 ( 4.021 2.905 1.099) 5.081 28.818 ( 6.691 3.783 -0.948) 7.744 28.818 ( 6.691 3.783 0.948) 7.744 29.718 ( -22.036 2.028 -8.703) 23.779 29.718 ( -22.036 2.028 8.703) 23.779 33.411 ( 1.446 15.580 -6.555) 16.964 33.411 ( 1.446 15.580 6.555) 16.964 36.868 ( 6.328 -10.799 -3.575) 13.017 36.868 ( 6.328 -10.799 3.575) 13.017 ======================= Grid point 644 (190/215) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( 0.000 7.981 -31.740) 32.728 3.216 ( 0.000 7.981 31.740) 32.728 3.314 ( -0.000 -0.400 -36.213) 36.215 3.314 ( -0.000 -0.400 36.213) 36.215 3.819 ( 0.000 13.594 -21.076) 25.080 3.819 ( 0.000 13.594 21.076) 25.080 4.721 ( 0.000 6.350 -9.382) 11.329 4.721 ( 0.000 6.350 9.382) 11.329 6.943 ( 0.000 1.082 -17.679) 17.712 6.943 ( 0.000 1.082 17.679) 17.712 7.176 ( -0.000 -10.156 -24.044) 26.101 7.176 ( -0.000 -10.156 24.044) 26.101 8.279 ( -0.000 -3.582 -7.859) 8.637 8.279 ( -0.000 -3.582 7.859) 8.637 9.600 ( 0.000 13.016 -18.992) 23.024 9.600 ( 0.000 13.016 18.992) 23.024 12.343 ( -0.000 -27.376 -5.657) 27.954 12.343 ( -0.000 -27.376 5.657) 27.954 13.760 ( 0.000 0.115 -7.267) 7.268 13.760 ( 0.000 0.115 7.267) 7.268 14.058 ( 0.000 1.190 -5.568) 5.694 14.058 ( 0.000 1.190 5.568) 5.694 17.483 ( -0.000 -0.366 -1.631) 1.672 17.483 ( -0.000 -0.366 1.631) 1.672 17.607 ( 0.000 3.454 -1.179) 3.649 17.607 ( 0.000 3.454 1.179) 3.649 20.309 ( 0.000 3.129 -2.209) 3.831 20.309 ( 0.000 3.129 2.209) 3.831 28.846 ( 0.000 3.714 -0.810) 3.801 28.846 ( 0.000 3.714 0.810) 3.801 29.490 ( 0.000 2.125 -7.150) 7.459 29.490 ( 0.000 2.125 7.150) 7.459 33.277 ( 0.000 11.702 -5.151) 12.786 33.277 ( 0.000 11.702 5.151) 12.786 37.027 ( -0.000 -8.617 -5.354) 10.145 37.027 ( -0.000 -8.617 5.354) 10.145 ======================= Grid point 650 (191/215) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 13.621 -0.000 -12.645) 18.586 3.155 ( 13.621 -0.000 12.645) 18.586 3.643 ( 13.789 -0.000 -26.297) 29.693 3.643 ( 13.789 -0.000 26.297) 29.693 5.706 ( 20.023 -0.000 -12.343) 23.522 5.706 ( 20.023 -0.000 12.343) 23.522 5.934 ( 31.958 -0.000 -1.818) 32.010 5.934 ( 31.958 -0.000 1.818) 32.010 7.145 ( -17.163 0.000 -0.400) 17.167 7.145 ( -17.163 0.000 0.400) 17.167 7.475 ( 8.546 -0.000 -18.991) 20.825 7.475 ( 8.546 -0.000 18.991) 20.825 8.253 ( -5.389 0.000 -22.899) 23.524 8.253 ( -5.389 0.000 22.899) 23.524 8.731 ( -10.443 0.000 -7.541) 12.881 8.731 ( -10.443 0.000 7.541) 12.881 11.579 ( -16.542 0.000 -2.912) 16.796 11.579 ( -16.542 0.000 2.912) 16.796 13.637 ( -0.992 0.000 -9.512) 9.563 13.637 ( -0.992 0.000 9.512) 9.563 14.516 ( 2.144 -0.000 -0.618) 2.231 14.516 ( 2.144 -0.000 0.618) 2.231 17.390 ( 3.811 -0.000 -0.348) 3.826 17.390 ( 3.811 -0.000 0.348) 3.826 17.572 ( -0.315 0.000 -0.424) 0.528 17.572 ( -0.315 0.000 0.424) 0.528 19.989 ( -3.167 0.000 -0.334) 3.185 19.989 ( -3.167 0.000 0.334) 3.185 28.565 ( -2.405 0.000 -0.514) 2.459 28.565 ( -2.405 0.000 0.514) 2.459 31.077 ( 18.899 -0.000 -17.507) 25.762 31.077 ( 18.899 -0.000 17.507) 25.762 33.207 ( 7.918 -0.000 -1.012) 7.983 33.207 ( 7.918 -0.000 1.012) 7.983 36.422 ( -14.100 0.000 -1.387) 14.168 36.422 ( -14.100 0.000 1.387) 14.168 ======================= Grid point 652 (192/215) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.411 ( 15.526 -1.805 -4.527) 16.273 3.411 ( 15.526 -1.805 4.527) 16.273 3.895 ( 16.216 -1.928 -19.088) 25.121 3.895 ( 16.216 -1.928 19.088) 25.121 5.948 ( 12.645 3.428 -7.192) 14.946 5.948 ( 12.645 3.428 7.192) 14.946 6.403 ( 21.429 -4.415 -4.100) 22.260 6.403 ( 21.429 -4.415 4.100) 22.260 6.838 ( -18.926 -0.069 -5.989) 19.851 6.838 ( -18.926 -0.069 5.989) 19.851 7.545 ( -3.500 -0.537 -6.197) 7.138 7.545 ( -3.500 -0.537 6.197) 7.138 8.048 ( -10.387 6.514 -17.532) 21.394 8.048 ( -10.387 6.514 17.532) 21.394 8.700 ( 2.572 -2.404 -11.002) 11.551 8.700 ( 2.572 -2.404 11.002) 11.551 11.331 ( -13.102 0.794 -3.723) 13.643 11.331 ( -13.102 0.794 3.723) 13.643 13.623 ( 0.336 1.490 -9.647) 9.767 13.623 ( 0.336 1.490 9.647) 9.767 14.524 ( -0.084 1.036 -2.251) 2.479 14.524 ( -0.084 1.036 2.251) 2.479 17.467 ( 4.059 -1.223 -2.688) 5.019 17.467 ( 4.059 -1.223 2.688) 5.019 17.577 ( 0.732 -0.622 -1.525) 1.802 17.577 ( 0.732 -0.622 1.525) 1.802 19.962 ( -1.251 -1.431 -2.448) 3.100 19.962 ( -1.251 -1.431 2.448) 3.100 28.536 ( -1.479 -0.381 -1.625) 2.230 28.536 ( -1.479 -0.381 1.625) 2.230 31.265 ( 5.966 1.712 -13.917) 15.239 31.265 ( 5.966 1.712 13.917) 15.239 33.401 ( 13.844 -1.892 -5.579) 15.045 33.401 ( 13.844 -1.892 5.579) 15.045 36.209 ( -11.554 0.502 -1.786) 11.702 36.209 ( -11.554 0.502 1.786) 11.702 ======================= Grid point 654 (193/215) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.653 ( 12.809 0.268 -1.431) 12.891 3.653 ( 12.809 0.268 1.431) 12.891 4.188 ( 15.856 -2.293 -11.987) 20.009 4.188 ( 15.856 -2.293 11.987) 20.009 6.045 ( 3.759 2.842 -8.034) 9.314 6.045 ( 3.759 2.842 8.034) 9.314 6.487 ( -13.422 -0.150 -11.727) 17.824 6.487 ( -13.422 -0.150 11.727) 17.824 6.788 ( 10.174 -4.762 -1.378) 11.318 6.788 ( 10.174 -4.762 1.378) 11.318 7.275 ( -28.995 -1.720 -10.064) 30.740 7.275 ( -28.995 -1.720 10.064) 30.740 7.951 ( 6.995 8.071 -4.846) 11.728 7.951 ( 6.995 8.071 4.846) 11.728 8.795 ( 5.782 -1.006 -12.929) 14.199 8.795 ( 5.782 -1.006 12.929) 14.199 11.151 ( -9.579 -1.675 -2.931) 10.156 11.151 ( -9.579 -1.675 2.931) 10.156 13.619 ( 2.176 3.041 -9.574) 10.278 13.619 ( 2.176 3.041 9.574) 10.278 14.499 ( -1.429 1.218 -4.661) 5.026 14.499 ( -1.429 1.218 4.661) 5.026 17.514 ( -0.330 -1.641 -1.585) 2.305 17.514 ( -0.330 -1.641 1.585) 2.305 17.623 ( 4.131 -0.329 -3.516) 5.435 17.623 ( 4.131 -0.329 3.516) 5.435 19.975 ( 0.362 -2.188 -4.980) 5.452 19.975 ( 0.362 -2.188 4.980) 5.452 28.528 ( -0.006 -0.632 -2.686) 2.759 28.528 ( -0.006 -0.632 2.686) 2.759 31.256 ( -4.196 1.665 -10.206) 11.160 31.256 ( -4.196 1.665 10.206) 11.160 33.655 ( 15.759 0.556 -9.318) 18.316 33.655 ( 15.759 0.556 9.318) 18.316 36.053 ( -7.638 -0.880 -2.181) 7.992 36.053 ( -7.638 -0.880 2.181) 7.992 ======================= Grid point 656 (194/215) ======================= q-point: ( 0.42 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.812 ( 9.649 3.814 -1.400) 10.469 3.812 ( 9.649 3.814 1.400) 10.469 4.381 ( 6.909 3.710 -6.910) 10.452 4.381 ( 6.909 3.710 6.910) 10.452 5.994 ( -8.105 2.469 -16.224) 18.303 5.994 ( -8.105 2.469 16.224) 18.303 6.340 ( -8.030 -7.000 -5.805) 12.131 6.340 ( -8.030 -7.000 5.805) 12.131 6.786 ( -29.315 -1.673 -8.379) 30.535 6.786 ( -29.315 -1.673 8.379) 30.535 6.961 ( 6.954 -1.075 -6.385) 9.502 6.961 ( 6.954 -1.075 6.385) 9.502 8.017 ( 7.399 4.017 -6.969) 10.930 8.017 ( 7.399 4.017 6.969) 10.930 8.882 ( 4.827 1.034 -14.022) 14.866 8.882 ( 4.827 1.034 14.022) 14.866 11.061 ( -6.019 -4.943 -1.455) 7.923 11.061 ( -6.019 -4.943 1.455) 7.923 13.633 ( 4.319 4.127 -9.187) 10.959 13.633 ( 4.319 4.127 9.187) 10.959 14.455 ( -2.477 1.061 -6.688) 7.211 14.455 ( -2.477 1.061 6.688) 7.211 17.507 ( -2.046 -1.078 -0.566) 2.380 17.507 ( -2.046 -1.078 0.566) 2.380 17.691 ( 3.660 0.104 -4.950) 6.158 17.691 ( 3.660 0.104 4.950) 6.158 20.017 ( 1.768 -2.483 -7.096) 7.723 20.017 ( 1.768 -2.483 7.096) 7.723 28.551 ( 2.018 -0.710 -3.599) 4.187 28.551 ( 2.018 -0.710 3.599) 4.187 31.112 ( -11.730 0.792 -8.344) 14.417 31.112 ( -11.730 0.792 8.344) 14.417 33.869 ( 14.201 5.481 -11.094) 18.835 33.869 ( 14.201 5.481 11.094) 18.835 35.990 ( -2.839 -3.502 -3.415) 5.655 35.990 ( -2.839 -3.502 3.415) 5.655 ======================= Grid point 658 (195/215) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.874 ( 5.386 8.727 -4.060) 11.029 3.874 ( 5.386 8.727 4.060) 11.030 4.322 ( -2.579 11.159 -3.835) 12.078 4.322 ( -2.579 11.159 3.835) 12.078 5.700 ( -23.970 4.561 -5.850) 25.091 5.700 ( -23.970 4.561 5.850) 25.091 6.177 ( -22.815 -5.939 -6.556) 24.470 6.177 ( -22.815 -5.939 6.556) 24.470 6.604 ( -2.189 -11.520 -10.304) 15.610 6.604 ( -2.189 -11.520 10.304) 15.610 7.089 ( 11.114 1.265 -8.844) 14.259 7.089 ( 11.114 1.265 8.844) 14.259 8.063 ( 0.101 0.283 -11.074) 11.078 8.063 ( 0.101 0.283 11.074) 11.078 8.945 ( 5.716 1.218 -15.112) 16.203 8.945 ( 5.716 1.218 15.112) 16.203 11.057 ( -2.879 -7.563 -0.993) 8.153 11.057 ( -2.879 -7.563 0.993) 8.153 13.670 ( 5.991 4.688 -8.368) 11.309 13.670 ( 5.991 4.688 8.368) 11.309 14.398 ( -3.446 0.764 -8.228) 8.954 14.398 ( -3.446 0.764 8.228) 8.954 17.477 ( -2.302 -0.213 -1.158) 2.586 17.477 ( -2.302 -0.213 1.158) 2.586 17.732 ( 1.899 0.548 -4.773) 5.166 17.732 ( 1.899 0.548 4.773) 5.166 20.083 ( 3.058 -2.499 -8.401) 9.283 20.083 ( 3.058 -2.499 8.401) 9.283 28.608 ( 4.231 -0.401 -4.175) 5.958 28.608 ( 4.231 -0.401 4.175) 5.958 30.868 ( -17.785 0.106 -8.084) 19.536 30.868 ( -17.785 0.106 8.084) 19.536 33.987 ( 11.027 10.770 -11.197) 19.051 33.987 ( 11.027 10.770 11.197) 19.051 36.037 ( 1.993 -6.432 -4.602) 8.156 36.037 ( 1.993 -6.432 4.602) 8.156 ======================= Grid point 660 (196/215) ======================= q-point: (-0.42 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.758 ( -4.402 15.347 -8.773) 18.217 3.758 ( -4.402 15.347 8.773) 18.217 4.165 ( 0.128 11.617 -6.838) 13.481 4.165 ( 0.128 11.617 6.838) 13.481 5.181 ( -32.058 4.160 -6.186) 32.913 5.181 ( -32.058 4.160 6.186) 32.913 5.869 ( -19.814 -0.518 -3.719) 20.167 5.869 ( -19.814 -0.518 3.719) 20.167 6.698 ( -1.318 -8.784 -4.051) 9.763 6.698 ( -1.318 -8.784 4.051) 9.763 7.303 ( 11.722 -2.219 -1.003) 11.972 7.303 ( 11.722 -2.219 1.003) 11.972 7.999 ( -7.373 -1.023 -15.765) 17.434 7.999 ( -7.373 -1.023 15.765) 17.434 9.095 ( 11.761 -4.699 -13.334) 18.391 9.095 ( 11.761 -4.699 13.334) 18.391 11.116 ( -0.963 -9.118 -1.755) 9.336 11.116 ( -0.963 -9.118 1.755) 9.336 13.721 ( 6.304 4.886 -7.303) 10.814 13.721 ( 6.304 4.886 7.303) 10.814 14.328 ( -4.426 0.460 -9.203) 10.223 14.328 ( -4.426 0.460 9.203) 10.223 17.444 ( -1.441 0.422 -1.757) 2.311 17.444 ( -1.441 0.422 1.757) 2.311 17.742 ( 0.341 0.838 -3.636) 3.747 17.742 ( 0.341 0.838 3.636) 3.747 20.166 ( 4.090 -2.272 -8.645) 9.830 20.166 ( 4.090 -2.272 8.645) 9.830 28.693 ( 6.238 0.486 -4.147) 7.507 28.693 ( 6.238 0.486 4.147) 7.507 30.542 ( -22.302 0.196 -8.497) 23.866 30.542 ( -22.302 0.196 8.497) 23.866 34.000 ( 7.724 15.059 -10.386) 19.857 34.000 ( 7.724 15.059 10.386) 19.857 36.181 ( 5.472 -9.028 -4.901) 11.639 36.181 ( 5.472 -9.028 4.901) 11.639 ======================= Grid point 662 (197/215) ======================= q-point: (-0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.482 ( -7.491 14.383 -15.017) 22.101 3.482 ( -7.491 14.383 15.017) 22.101 4.045 ( -2.307 12.175 -11.934) 17.204 4.045 ( -2.307 12.175 11.934) 17.204 4.661 ( -22.244 7.372 -6.964) 24.446 4.661 ( -22.244 7.372 6.964) 24.446 5.529 ( -19.532 5.159 -2.912) 20.411 5.529 ( -19.532 5.159 2.912) 20.411 6.764 ( 0.006 -6.782 -12.734) 14.428 6.764 ( 0.006 -6.782 12.734) 14.428 7.357 ( -6.801 3.032 -13.570) 15.479 7.357 ( -6.801 3.032 13.570) 15.479 7.960 ( 0.781 -5.654 -15.126) 16.167 7.960 ( 0.781 -5.654 15.126) 16.167 9.412 ( 15.741 -10.834 -11.634) 22.372 9.412 ( 15.741 -10.834 11.634) 22.372 11.216 ( 0.005 -11.846 -3.687) 12.407 11.216 ( 0.005 -11.846 3.687) 12.407 13.763 ( 5.062 4.657 -6.475) 9.446 13.763 ( 5.062 4.657 6.475) 9.446 14.245 ( -5.190 0.524 -9.642) 10.963 14.245 ( -5.190 0.524 9.642) 10.963 17.430 ( 0.413 0.332 -2.656) 2.709 17.430 ( 0.413 0.332 2.656) 2.709 17.729 ( -0.666 1.097 -2.206) 2.552 17.729 ( -0.666 1.097 2.206) 2.552 20.257 ( 4.392 -1.716 -7.706) 9.034 20.257 ( 4.392 -1.716 7.706) 9.034 28.795 ( 7.837 1.906 -3.328) 8.725 28.795 ( 7.837 1.906 3.328) 8.725 30.157 ( -23.955 1.336 -8.655) 25.505 30.157 ( -23.955 1.336 8.655) 25.505 33.926 ( 4.835 17.902 -9.499) 20.835 33.926 ( 4.835 17.902 9.499) 20.835 36.389 ( 6.533 -11.257 -4.174) 13.669 36.389 ( 6.533 -11.257 4.174) 13.669 ======================= Grid point 664 (198/215) ======================= q-point: (-0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( -0.750 7.146 -22.899) 24.000 3.289 ( -0.750 7.146 22.899) 24.000 3.774 ( -13.742 12.474 -20.883) 27.938 3.774 ( -13.742 12.474 20.883) 27.938 4.368 ( -1.385 14.857 -7.580) 16.736 4.368 ( -1.385 14.857 7.580) 16.736 5.151 ( -16.110 9.601 -6.464) 19.837 5.151 ( -16.110 9.601 6.464) 19.837 6.849 ( 1.672 -6.938 -17.022) 18.458 6.849 ( 1.672 -6.938 17.022) 18.458 7.133 ( -11.951 3.881 -18.103) 22.036 7.133 ( -11.951 3.881 18.103) 22.036 8.078 ( 3.226 -6.823 -11.917) 14.106 8.078 ( 3.226 -6.823 11.917) 14.106 9.740 ( 10.842 -6.175 -17.601) 21.575 9.740 ( 10.842 -6.175 17.601) 21.575 11.391 ( 1.383 -20.467 -6.853) 21.628 11.391 ( 1.383 -20.467 6.853) 21.628 13.784 ( 2.915 3.674 -6.067) 7.668 13.784 ( 2.915 3.674 6.067) 7.668 14.154 ( -4.562 1.298 -9.548) 10.661 14.154 ( -4.562 1.298 9.548) 10.661 17.449 ( 1.632 -0.308 -3.329) 3.720 17.449 ( 1.632 -0.308 3.329) 3.720 17.701 ( -0.866 1.529 -1.228) 2.143 17.701 ( -0.866 1.529 1.228) 2.143 20.334 ( 3.210 -0.673 -5.661) 6.542 20.334 ( 3.210 -0.673 5.661) 6.542 28.898 ( 8.017 3.461 -1.791) 8.914 28.898 ( 8.017 3.461 1.791) 8.914 29.773 ( -19.410 3.067 -7.989) 21.213 29.773 ( -19.410 3.067 7.989) 21.213 33.787 ( 2.249 19.108 -8.787) 21.151 33.787 ( 2.249 19.108 8.787) 21.151 36.611 ( 4.692 -12.889 -3.000) 14.041 36.611 ( 4.692 -12.889 3.000) 14.041 ======================= Grid point 666 (199/215) ======================= q-point: (-0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( -0.000 -0.837 -29.146) 29.158 3.301 ( -0.000 -0.837 29.146) 29.158 3.460 ( 0.000 14.905 -26.211) 30.153 3.460 ( 0.000 14.905 26.211) 30.153 4.187 ( 0.000 19.725 -15.681) 25.199 4.187 ( 0.000 19.725 15.681) 25.199 4.898 ( 0.000 9.771 -8.158) 12.729 4.898 ( 0.000 9.771 8.158) 12.729 6.959 ( -0.000 -8.848 -20.000) 21.869 6.959 ( -0.000 -8.848 20.000) 21.869 6.980 ( 0.000 2.501 -17.733) 17.909 6.980 ( 0.000 2.501 17.733) 17.909 8.175 ( -0.000 -6.117 -10.528) 12.176 8.175 ( -0.000 -6.117 10.528) 12.176 9.833 ( 0.000 5.246 -21.731) 22.356 9.833 ( 0.000 5.246 21.731) 22.356 11.684 ( -0.000 -30.417 -8.256) 31.517 11.684 ( -0.000 -30.417 8.256) 31.517 13.778 ( 0.000 2.054 -6.044) 6.383 13.778 ( 0.000 2.054 6.044) 6.383 14.092 ( 0.000 1.974 -8.648) 8.871 14.092 ( 0.000 1.974 8.648) 8.871 17.472 ( -0.000 -0.636 -3.049) 3.115 17.472 ( -0.000 -0.636 3.049) 3.115 17.673 ( 0.000 2.338 -1.365) 2.707 17.673 ( 0.000 2.338 1.365) 2.707 20.361 ( 0.000 1.025 -3.072) 3.239 20.361 ( 0.000 1.025 3.072) 3.239 28.937 ( 0.000 4.448 -0.652) 4.496 28.937 ( 0.000 4.448 0.652) 4.496 29.553 ( 0.000 3.686 -7.255) 8.138 29.553 ( 0.000 3.686 7.255) 8.138 33.605 ( 0.000 18.376 -7.923) 20.011 33.605 ( 0.000 18.376 7.923) 20.011 36.790 ( -0.000 -13.015 -3.020) 13.361 36.790 ( -0.000 -13.015 3.020) 13.361 ======================= Grid point 676 (200/215) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.655 ( 14.835 -0.000 -0.372) 14.839 3.655 ( 14.835 -0.000 0.372) 14.839 4.160 ( 17.429 -0.000 -14.306) 22.548 4.160 ( 17.429 -0.000 14.306) 22.548 6.093 ( 2.653 -0.000 -4.678) 5.378 6.093 ( 2.653 -0.000 4.678) 5.378 6.489 ( -13.750 0.000 -14.503) 19.984 6.489 ( -13.750 0.000 14.503) 19.984 6.717 ( 11.111 -0.000 -2.491) 11.387 6.717 ( 11.111 -0.000 2.491) 11.387 7.254 ( -27.883 0.000 -7.534) 28.883 7.254 ( -27.883 0.000 7.534) 28.883 8.046 ( 3.205 -0.000 -6.044) 6.841 8.046 ( 3.205 -0.000 6.044) 6.841 8.783 ( 7.451 -0.000 -12.704) 14.727 8.783 ( 7.451 -0.000 12.704) 14.727 11.132 ( -11.404 0.000 -2.316) 11.637 11.132 ( -11.404 0.000 2.316) 11.637 13.654 ( 2.425 -0.000 -10.501) 10.777 13.654 ( 2.425 -0.000 10.501) 10.777 14.513 ( -1.700 0.000 -4.558) 4.865 14.513 ( -1.700 0.000 4.558) 4.865 17.495 ( 0.202 -0.000 -1.192) 1.208 17.495 ( 0.202 -0.000 1.192) 1.208 17.619 ( 4.394 -0.000 -1.929) 4.798 17.619 ( 4.394 -0.000 1.929) 4.798 19.950 ( 0.493 -0.000 -0.115) 0.506 19.950 ( 0.493 -0.000 0.115) 0.506 28.521 ( 0.007 -0.000 -2.797) 2.797 28.521 ( 0.007 -0.000 2.797) 2.797 31.275 ( -5.033 0.000 -10.990) 12.087 31.275 ( -5.033 0.000 10.990) 12.087 33.661 ( 18.430 -0.000 -8.422) 20.263 33.661 ( 18.430 -0.000 8.422) 20.263 36.043 ( -8.924 0.000 -0.085) 8.924 36.043 ( -8.924 0.000 0.085) 8.924 ======================= Grid point 678 (201/215) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.865 ( 11.713 1.215 -1.303) 11.847 3.865 ( 11.713 1.215 1.303) 11.847 4.422 ( 13.568 0.552 -9.251) 16.431 4.422 ( 13.568 0.552 9.251) 16.431 6.046 ( -6.017 2.084 -7.631) 9.938 6.046 ( -6.017 2.084 7.631) 9.938 6.268 ( -13.332 -0.951 -4.858) 14.222 6.268 ( -13.332 -0.951 4.858) 14.222 6.706 ( -29.985 -3.645 -5.530) 30.708 6.706 ( -29.985 -3.645 5.530) 30.708 6.963 ( 8.472 0.401 -2.390) 8.811 6.963 ( 8.472 0.401 2.390) 8.811 8.088 ( 2.658 2.112 -6.211) 7.078 8.088 ( 2.658 2.112 6.211) 7.078 8.897 ( 6.186 0.326 -14.532) 15.797 8.897 ( 6.186 0.326 14.532) 15.797 10.982 ( -8.304 -2.124 -0.858) 8.614 10.982 ( -8.304 -2.124 0.858) 8.614 13.701 ( 4.660 1.870 -11.065) 12.151 13.701 ( 4.660 1.870 11.065) 12.151 14.475 ( -2.511 0.617 -7.232) 7.680 14.475 ( -2.511 0.617 7.232) 7.680 17.488 ( -1.245 -0.557 -0.219) 1.382 17.488 ( -1.245 -0.557 0.219) 1.382 17.690 ( 3.876 -0.062 -4.499) 5.939 17.690 ( 3.876 -0.062 4.499) 5.939 19.974 ( 1.674 -1.227 -2.767) 3.458 19.974 ( 1.674 -1.227 2.767) 3.458 28.539 ( 2.108 -0.338 -3.678) 4.253 28.539 ( 2.108 -0.338 3.678) 4.253 31.127 ( -12.418 0.475 -8.952) 15.316 31.127 ( -12.418 0.475 8.952) 15.316 33.953 ( 18.200 2.198 -10.208) 20.983 33.953 ( 18.200 2.198 10.208) 20.983 35.935 ( -5.109 -1.497 -2.261) 5.784 35.935 ( -5.109 -1.497 2.261) 5.784 ======================= Grid point 680 (202/215) ======================= q-point: (-0.58 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.004 ( 8.601 3.711 -1.820) 9.543 4.004 ( 8.601 3.711 1.820) 9.543 4.517 ( 1.769 6.706 -3.833) 7.924 4.517 ( 1.769 6.706 3.833) 7.924 5.798 ( -24.027 4.531 -9.809) 26.345 5.798 ( -24.027 4.531 9.809) 26.345 6.059 ( -15.902 -4.083 -8.685) 18.574 6.059 ( -15.902 -4.083 8.685) 18.574 6.397 ( -8.584 -8.235 -10.393) 15.796 6.397 ( -8.584 -8.235 10.393) 15.796 7.126 ( 11.236 1.812 -4.709) 12.317 7.126 ( 11.236 1.812 4.709) 12.317 8.071 ( -3.348 0.488 -7.681) 8.393 8.071 ( -3.348 0.488 7.681) 8.393 8.970 ( 4.088 0.948 -16.144) 16.681 8.970 ( 4.088 0.948 16.144) 16.681 10.916 ( -4.739 -5.283 -0.615) 7.123 10.916 ( -4.739 -5.283 0.615) 7.123 13.763 ( 6.554 3.560 -11.224) 13.476 13.763 ( 6.554 3.560 11.224) 13.476 14.421 ( -3.031 1.181 -9.538) 10.077 14.421 ( -3.031 1.181 9.538) 10.077 17.470 ( -1.582 -0.404 -0.503) 1.709 17.470 ( -1.582 -0.404 0.503) 1.709 17.737 ( 1.794 0.003 -5.142) 5.446 17.737 ( 1.794 0.003 5.142) 5.446 20.027 ( 2.500 -2.328 -5.236) 6.252 20.027 ( 2.500 -2.328 5.236) 6.252 28.598 ( 4.610 -0.465 -4.211) 6.261 28.598 ( 4.610 -0.465 4.211) 6.261 30.878 ( -17.622 0.558 -8.133) 19.416 30.878 ( -17.622 0.558 8.133) 19.416 34.177 ( 14.902 6.738 -10.715) 19.552 34.177 ( 14.902 6.738 10.715) 19.552 35.919 ( -0.545 -4.357 -4.530) 6.309 35.919 ( -0.545 -4.357 4.530) 6.309 ======================= Grid point 682 (203/215) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.034 ( 1.341 9.805 -3.709) 10.568 4.034 ( 1.341 9.805 3.709) 10.568 4.361 ( -8.559 7.264 -7.178) 13.324 4.361 ( -8.559 7.264 7.178) 13.324 5.295 ( -26.437 6.334 -8.702) 28.544 5.295 ( -26.437 6.334 8.702) 28.544 5.840 ( -15.215 -1.403 -7.287) 16.929 5.840 ( -15.215 -1.403 7.287) 16.929 6.501 ( 3.973 -10.295 -10.267) 15.073 6.501 ( 3.973 -10.295 10.267) 15.073 7.289 ( 11.069 1.294 -4.694) 12.093 7.289 ( 11.069 1.294 4.694) 12.093 7.971 ( -9.514 -1.745 -10.212) 14.066 7.971 ( -9.514 -1.745 10.212) 14.066 9.030 ( 4.211 -1.247 -17.839) 18.371 9.030 ( 4.211 -1.247 17.839) 18.371 10.935 ( -1.779 -7.893 -1.225) 8.183 10.935 ( -1.779 -7.893 1.225) 8.183 13.832 ( 7.333 5.004 -10.969) 14.111 13.832 ( 7.333 5.004 10.969) 14.111 14.353 ( -3.609 1.679 -11.108) 11.800 14.353 ( -3.609 1.679 11.108) 11.800 17.448 ( -1.245 0.002 -1.579) 2.011 17.448 ( -1.245 0.002 1.579) 2.011 17.749 ( -0.095 0.003 -4.330) 4.331 17.749 ( -0.095 0.003 4.330) 4.331 20.102 ( 3.057 -3.322 -7.037) 8.360 20.102 ( 3.057 -3.322 7.037) 8.360 28.696 ( 7.049 -0.130 -4.314) 8.265 28.696 ( 7.049 -0.130 4.314) 8.265 30.556 ( -21.021 0.929 -7.998) 22.511 30.556 ( -21.021 0.929 7.998) 22.511 34.285 ( 10.497 11.465 -10.277) 18.634 34.285 ( 10.497 11.465 10.277) 18.634 36.005 ( 3.298 -7.338 -5.734) 9.879 36.005 ( 3.298 -7.338 5.734) 9.879 ======================= Grid point 684 (204/215) ======================= q-point: (-0.42 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( -17.341 11.372 -9.890) 22.975 3.764 ( -17.341 11.372 9.890) 22.975 4.211 ( -4.261 4.426 -7.548) 9.732 4.211 ( -4.261 4.426 7.548) 9.732 4.891 ( -9.880 13.374 -9.782) 19.291 4.891 ( -9.880 13.374 9.782) 19.291 5.593 ( -15.354 1.561 -3.536) 15.833 5.593 ( -15.354 1.561 3.536) 15.833 6.654 ( 4.519 -5.033 -0.696) 6.800 6.654 ( 4.519 -5.033 0.696) 6.800 7.396 ( -0.386 1.145 -8.118) 8.207 7.396 ( -0.386 1.145 8.118) 8.207 7.859 ( -4.612 -4.156 -14.050) 15.360 7.859 ( -4.612 -4.156 14.050) 15.360 9.169 ( 6.626 -9.667 -17.191) 20.806 9.169 ( 6.626 -9.667 17.191) 20.806 11.011 ( -0.229 -8.808 -0.739) 8.842 11.011 ( -0.229 -8.808 0.739) 8.842 13.885 ( 6.432 6.322 -10.361) 13.736 13.885 ( 6.432 6.322 10.361) 13.736 14.271 ( -4.076 1.872 -11.826) 12.648 14.271 ( -4.076 1.872 11.826) 12.648 17.435 ( -0.196 0.088 -3.162) 3.170 17.435 ( -0.196 0.088 3.162) 3.170 17.738 ( -1.182 -0.017 -2.660) 2.911 17.738 ( -1.182 -0.017 2.660) 2.911 20.192 ( 3.133 -4.027 -7.920) 9.421 20.192 ( 3.133 -4.027 7.920) 9.421 28.822 ( 8.924 0.770 -3.843) 9.747 28.822 ( 8.924 0.770 3.843) 9.747 30.193 ( -21.753 1.887 -7.940) 23.233 30.193 ( -21.753 1.887 7.940) 23.233 34.280 ( 6.478 15.150 -9.574) 19.056 34.280 ( 6.478 15.150 9.574) 19.056 36.164 ( 4.749 -9.755 -5.554) 12.188 36.164 ( 4.749 -9.755 5.554) 12.188 ======================= Grid point 686 (205/215) ======================= q-point: (-0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( -14.536 3.330 -16.405) 22.169 3.402 ( -14.536 3.330 16.405) 22.169 4.045 ( -5.446 12.753 -13.468) 19.331 4.045 ( -5.446 12.753 13.468) 19.331 4.699 ( 3.722 15.764 -2.970) 16.468 4.699 ( 3.722 15.764 2.970) 16.468 5.318 ( -13.213 6.067 -2.924) 14.830 5.318 ( -13.213 6.067 2.924) 14.830 6.765 ( 5.149 -1.791 -8.754) 10.312 6.765 ( 5.149 -1.791 8.754) 10.312 7.228 ( -12.145 4.722 -16.499) 21.024 7.228 ( -12.145 4.722 16.499) 21.024 7.931 ( 2.933 -6.930 -13.758) 15.681 7.931 ( 2.933 -6.930 13.758) 15.681 9.438 ( 6.866 -18.511 -15.075) 24.841 9.438 ( 6.866 -18.511 15.075) 24.841 11.104 ( -0.018 -9.213 -0.990) 9.266 11.104 ( -0.018 -9.213 0.990) 9.266 13.899 ( 3.798 6.995 -9.283) 12.228 13.899 ( 3.798 6.995 9.283) 12.228 14.189 ( -3.341 1.902 -11.854) 12.462 14.189 ( -3.341 1.902 11.854) 12.462 17.442 ( 0.775 -0.374 -4.508) 4.589 17.442 ( 0.775 -0.374 4.508) 4.589 17.717 ( -1.216 0.126 -0.967) 1.558 17.717 ( -1.216 0.126 0.967) 1.558 20.280 ( 2.253 -4.084 -7.820) 9.106 20.280 ( 2.253 -4.084 7.820) 9.106 28.956 ( 8.790 1.971 -2.812) 9.437 28.956 ( 8.790 1.971 2.812) 9.437 29.842 ( -17.264 3.322 -7.651) 19.173 29.842 ( -17.264 3.322 7.651) 19.173 34.181 ( 3.034 17.753 -9.197) 20.223 34.181 ( 3.034 17.753 9.197) 20.223 36.348 ( 3.467 -11.760 -4.448) 13.043 36.348 ( 3.467 -11.760 4.448) 13.043 ======================= Grid point 688 (206/215) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.280 ( -0.000 -1.193 -21.913) 21.945 3.280 ( -0.000 -1.193 21.913) 21.945 3.817 ( 0.000 18.048 -18.540) 25.874 3.817 ( 0.000 18.048 18.540) 25.874 4.585 ( 0.000 17.051 -5.588) 17.943 4.585 ( 0.000 17.051 5.588) 17.943 5.104 ( 0.000 9.227 -5.865) 10.934 5.104 ( 0.000 9.227 5.865) 10.934 6.842 ( -0.000 -2.276 -13.867) 14.052 6.842 ( -0.000 -2.276 13.867) 14.052 7.051 ( 0.000 4.267 -17.857) 18.360 7.051 ( 0.000 4.267 17.857) 18.360 8.033 ( -0.000 -7.085 -12.426) 14.304 8.033 ( -0.000 -7.085 12.426) 14.304 9.702 ( -0.000 -17.123 -16.221) 23.586 9.702 ( -0.000 -17.123 16.221) 23.586 11.217 ( -0.000 -13.414 -3.786) 13.938 11.217 ( -0.000 -13.414 3.786) 13.938 13.860 ( 0.000 5.887 -7.623) 9.632 13.860 ( 0.000 5.887 7.623) 9.632 14.137 ( 0.000 2.152 -11.245) 11.449 14.137 ( 0.000 2.152 11.245) 11.449 17.457 ( -0.000 -0.738 -4.619) 4.677 17.457 ( -0.000 -0.738 4.619) 4.677 17.702 ( 0.000 0.558 -0.701) 0.896 17.702 ( 0.000 0.558 0.701) 0.896 20.339 ( -0.000 -3.038 -6.902) 7.541 20.339 ( -0.000 -3.038 6.902) 7.541 29.017 ( 0.000 2.995 -1.701) 3.444 29.017 ( 0.000 2.995 1.701) 3.444 29.639 ( 0.000 4.266 -7.423) 8.562 29.639 ( 0.000 4.266 7.423) 8.562 34.010 ( 0.000 19.217 -9.093) 21.259 34.010 ( 0.000 19.217 9.093) 21.259 36.510 ( -0.000 -13.097 -3.254) 13.495 36.510 ( -0.000 -13.097 3.254) 13.495 ======================= Grid point 702 (207/215) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.041 ( 9.240 -0.000 -0.327) 9.246 4.041 ( 9.240 -0.000 0.327) 9.246 4.588 ( 4.347 -0.000 -3.714) 5.717 4.588 ( 4.347 -0.000 3.714) 5.717 5.862 ( -25.427 0.000 -12.690) 28.417 5.862 ( -25.426 0.000 12.690) 28.417 6.015 ( -12.084 0.000 -17.226) 21.042 6.015 ( -12.084 0.000 17.226) 21.042 6.295 ( -12.145 0.000 -5.797) 13.458 6.295 ( -12.145 0.000 5.797) 13.458 7.148 ( 12.322 -0.000 -2.552) 12.584 7.148 ( 12.322 -0.000 2.552) 12.584 8.078 ( -5.169 0.000 -6.580) 8.367 8.078 ( -5.169 0.000 6.580) 8.367 8.980 ( 3.857 -0.000 -16.486) 16.931 8.980 ( 3.857 -0.000 16.486) 16.931 10.857 ( -5.516 0.000 -1.024) 5.610 10.857 ( -5.516 0.000 1.024) 5.610 13.803 ( 6.618 -0.000 -12.135) 13.823 13.803 ( 6.618 -0.000 12.135) 13.823 14.436 ( -2.763 0.000 -10.098) 10.469 14.436 ( -2.763 0.000 10.098) 10.469 17.465 ( -1.270 0.000 -0.135) 1.277 17.465 ( -1.270 0.000 0.135) 1.277 17.736 ( 1.761 -0.000 -5.254) 5.542 17.736 ( 1.761 -0.000 5.254) 5.542 20.000 ( 2.293 -0.000 -1.645) 2.823 20.000 ( 2.293 -0.000 1.645) 2.823 28.592 ( 4.743 -0.000 -4.137) 6.294 28.592 ( 4.743 -0.000 4.137) 6.294 30.885 ( -17.600 0.000 -8.243) 19.435 30.885 ( -17.600 0.000 8.243) 19.435 34.251 ( 16.400 -0.000 -10.315) 19.374 34.251 ( 16.400 -0.000 10.315) 19.374 35.870 ( -1.564 0.000 -4.651) 4.907 35.870 ( -1.564 0.000 4.651) 4.907 ======================= Grid point 704 (208/215) ======================= q-point: (-0.58 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.158 ( 6.216 2.476 -1.685) 6.900 4.158 ( 6.216 2.476 1.685) 6.900 4.471 ( -18.155 2.850 -4.272) 18.868 4.471 ( -18.155 2.850 4.272) 18.868 5.421 ( -19.186 4.346 -8.008) 21.240 5.421 ( -19.186 4.346 8.008) 21.240 5.825 ( -12.984 -0.121 -8.934) 15.761 5.825 ( -12.984 -0.121 8.934) 15.761 6.301 ( 5.112 -6.659 -7.538) 11.283 6.301 ( 5.112 -6.659 7.538) 11.283 7.334 ( 11.482 1.878 -2.437) 11.887 7.334 ( 11.482 1.878 2.437) 11.887 7.936 ( -12.194 -1.108 -6.970) 14.089 7.936 ( -12.194 -1.108 6.970) 14.089 9.025 ( 2.095 0.220 -19.584) 19.697 9.025 ( 2.095 0.220 19.584) 19.697 10.808 ( -2.747 -3.453 -2.465) 5.055 10.808 ( -2.747 -3.453 2.465) 5.055 13.908 ( 7.568 1.942 -12.792) 14.989 13.908 ( 7.568 1.942 12.792) 14.989 14.385 ( -2.880 1.044 -12.442) 12.813 14.385 ( -2.880 1.044 12.442) 12.813 17.447 ( -1.018 -0.072 -1.566) 1.869 17.447 ( -1.018 -0.072 1.566) 1.869 17.748 ( -0.276 -0.086 -4.842) 4.851 17.748 ( -0.276 -0.086 4.842) 4.851 20.047 ( 2.454 -1.530 -3.498) 4.539 20.047 ( 2.454 -1.530 3.498) 4.539 28.692 ( 7.464 -0.136 -4.100) 8.517 28.692 ( 7.464 -0.136 4.100) 8.517 30.573 ( -20.481 0.459 -7.951) 21.975 30.573 ( -20.481 0.459 7.951) 21.975 34.459 ( 12.072 4.526 -10.039) 16.340 34.459 ( 12.072 4.526 10.039) 16.340 35.891 ( 2.103 -3.051 -6.968) 7.892 35.891 ( 2.103 -3.051 6.968) 7.892 ======================= Grid point 706 (209/215) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.932 ( -30.509 4.581 -6.597) 31.548 3.932 ( -30.509 4.581 6.597) 31.548 4.272 ( 2.038 1.797 -3.733) 4.617 4.272 ( 2.038 1.797 3.733) 4.617 5.175 ( -2.638 12.393 -15.333) 19.891 5.175 ( -2.638 12.393 15.333) 19.891 5.616 ( -12.358 0.775 -7.083) 14.265 5.616 ( -12.358 0.775 7.083) 14.265 6.505 ( 8.022 -8.786 -9.699) 15.350 6.505 ( 8.022 -8.786 9.699) 15.350 7.444 ( 3.382 3.821 -8.224) 9.679 7.444 ( 3.382 3.821 8.224) 9.679 7.768 ( -9.109 -4.611 -9.216) 13.754 7.768 ( -9.109 -4.611 9.216) 13.754 9.054 ( 1.182 -1.674 -22.690) 22.782 9.054 ( 1.182 -1.674 22.690) 22.782 10.838 ( -0.635 -6.957 -2.931) 7.576 10.838 ( -0.635 -6.957 2.931) 7.576 13.999 ( 7.227 3.882 -13.168) 15.514 13.999 ( 7.227 3.882 13.168) 15.514 14.318 ( -3.331 2.273 -13.699) 14.280 14.318 ( -3.331 2.273 13.699) 14.280 17.435 ( -0.467 -0.051 -3.681) 3.711 17.435 ( -0.467 -0.051 3.681) 3.711 17.735 ( -1.351 -0.202 -3.321) 3.591 17.735 ( -1.351 -0.202 3.321) 3.591 20.110 ( 2.252 -3.209 -5.514) 6.766 20.110 ( 2.252 -3.209 5.514) 6.766 28.831 ( 9.541 0.126 -3.716) 10.240 28.831 ( 9.541 0.126 3.716) 10.240 30.228 ( -20.618 1.295 -7.774) 22.073 30.228 ( -20.618 1.295 7.774) 22.073 34.542 ( 7.386 9.233 -9.500) 15.167 34.542 ( 7.386 9.233 9.500) 15.167 35.992 ( 3.899 -6.199 -7.758) 10.668 35.992 ( 3.899 -6.199 7.758) 10.668 ======================= Grid point 708 (210/215) ======================= q-point: (-0.42 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( -22.940 0.748 -12.105) 25.949 3.440 ( -22.940 0.748 12.105) 25.949 4.265 ( 1.788 7.292 -5.621) 9.379 4.265 ( 1.788 7.292 5.621) 9.379 5.032 ( 2.984 16.036 -14.749) 21.990 5.032 ( 2.984 16.036 14.749) 21.990 5.413 ( -9.802 3.292 -3.571) 10.940 5.413 ( -9.802 3.292 3.571) 10.940 6.706 ( 7.090 -5.533 -6.152) 10.897 6.706 ( 7.090 -5.533 6.152) 10.897 7.321 ( -10.018 4.250 -15.492) 18.932 7.321 ( -10.018 4.250 15.492) 18.932 7.794 ( 2.302 -5.963 -12.783) 14.292 7.794 ( 2.302 -5.963 12.783) 14.292 9.126 ( 1.496 -8.948 -23.028) 24.751 9.126 ( 1.496 -8.948 23.028) 24.751 10.921 ( 0.247 -8.618 -2.389) 8.947 10.921 ( 0.247 -8.618 2.389) 8.947 14.050 ( 5.375 6.386 -13.222) 15.636 14.050 ( 5.375 6.386 13.222) 15.636 14.234 ( -3.514 2.499 -13.678) 14.342 14.234 ( -3.514 2.499 13.678) 14.342 17.434 ( 0.154 -0.318 -5.595) 5.606 17.434 ( 0.154 -0.318 5.595) 5.606 17.714 ( -1.246 -0.214 -1.405) 1.890 17.714 ( -1.246 -0.214 1.405) 1.890 20.183 ( 1.524 -4.591 -6.936) 8.456 20.183 ( 1.524 -4.591 6.936) 8.456 28.983 ( 9.108 0.693 -3.205) 9.680 28.983 ( 9.108 0.693 3.205) 9.680 29.905 ( -15.896 2.549 -7.615) 17.810 29.905 ( -15.896 2.549 7.615) 17.810 34.511 ( 3.461 13.009 -8.986) 16.185 34.511 ( 3.461 13.009 8.986) 16.185 36.129 ( 2.886 -8.698 -7.041) 11.557 36.129 ( 2.886 -8.698 7.041) 11.557 ======================= Grid point 710 (211/215) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( -0.000 -1.241 -16.323) 16.371 3.253 ( -0.000 -1.241 16.323) 16.371 4.165 ( 0.000 13.501 -10.179) 16.909 4.165 ( 0.000 13.501 10.179) 16.909 4.908 ( 0.000 14.824 -10.237) 18.016 4.908 ( 0.000 14.824 10.237) 18.016 5.268 ( 0.000 6.096 -2.985) 6.788 5.268 ( 0.000 6.096 2.985) 6.788 6.819 ( -0.000 -1.919 -8.502) 8.715 6.819 ( -0.000 -1.919 8.502) 8.715 7.156 ( 0.000 5.571 -18.016) 18.857 7.156 ( 0.000 5.571 18.016) 18.857 7.886 ( -0.000 -6.625 -12.664) 14.292 7.886 ( -0.000 -6.625 12.664) 14.292 9.287 ( -0.000 -17.600 -19.466) 26.242 9.287 ( -0.000 -17.600 19.466) 26.242 11.014 ( -0.000 -8.414 -1.258) 8.508 11.014 ( -0.000 -8.414 1.258) 8.508 14.017 ( 0.000 8.382 -12.006) 14.642 14.017 ( 0.000 8.382 12.006) 14.642 14.179 ( 0.000 1.762 -13.033) 13.152 14.179 ( 0.000 1.762 13.033) 13.152 17.442 ( -0.000 -0.644 -6.066) 6.100 17.442 ( -0.000 -0.644 6.066) 6.100 17.705 ( -0.000 -0.132 -0.315) 0.341 17.705 ( -0.000 -0.132 0.315) 0.341 20.248 ( -0.000 -5.057 -7.663) 9.181 20.248 ( -0.000 -5.057 7.663) 9.181 29.062 ( 0.000 1.281 -2.823) 3.100 29.062 ( 0.000 1.281 2.823) 3.100 29.725 ( 0.000 3.703 -7.622) 8.474 29.725 ( 0.000 3.703 7.622) 8.474 34.385 ( 0.000 15.913 -8.873) 18.220 34.385 ( 0.000 15.913 8.873) 18.220 36.256 ( -0.000 -10.665 -5.638) 12.064 36.256 ( -0.000 -10.665 5.638) 12.064 ======================= Grid point 728 (212/215) ======================= q-point: ( 0.42 -0.58 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.976 ( -35.531 0.000 -6.210) 36.070 3.976 ( -35.531 0.000 6.210) 36.070 4.291 ( 4.741 -0.000 -0.297) 4.751 4.291 ( 4.741 -0.000 0.297) 4.751 5.330 ( 0.389 -0.000 -17.671) 17.675 5.330 ( 0.389 -0.000 17.671) 17.675 5.625 ( -11.177 0.000 -8.974) 14.334 5.625 ( -11.177 0.000 8.974) 14.334 6.382 ( 8.173 -0.000 -3.960) 9.082 6.382 ( 8.173 -0.000 3.960) 9.082 7.511 ( 7.434 -0.000 -5.863) 9.468 7.511 ( 7.434 -0.000 5.863) 9.468 7.698 ( -13.952 0.000 -2.347) 14.149 7.698 ( -13.952 0.000 2.347) 14.149 9.047 ( 0.630 -0.000 -24.126) 24.134 9.047 ( 0.630 -0.000 24.126) 24.134 10.757 ( -1.304 0.000 -3.781) 4.000 10.757 ( -1.304 0.000 3.781) 4.000 14.040 ( 7.249 -0.000 -13.888) 15.666 14.040 ( 7.249 -0.000 13.888) 15.666 14.346 ( -2.848 0.000 -14.589) 14.865 14.346 ( -2.848 0.000 14.589) 14.865 17.434 ( -0.530 0.000 -3.939) 3.975 17.434 ( -0.530 0.000 3.939) 3.975 17.732 ( -1.356 0.000 -3.651) 3.895 17.732 ( -1.356 0.000 3.651) 3.895 20.074 ( 1.938 -0.000 -3.046) 3.610 20.074 ( 1.938 -0.000 3.046) 3.610 28.832 ( 9.733 -0.000 -3.521) 10.351 28.832 ( 9.733 -0.000 3.521) 10.351 30.243 ( -20.274 0.000 -7.756) 21.707 30.243 ( -20.274 0.000 7.756) 21.707 34.644 ( 7.656 -0.000 -9.800) 12.436 34.644 ( 7.656 -0.000 9.800) 12.436 35.923 ( 3.670 -0.000 -9.124) 9.834 35.923 ( 3.670 -0.000 9.124) 9.834 ======================= Grid point 732 (213/215) ======================= q-point: (-0.50 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.446 ( -25.911 0.036 -10.089) 27.806 3.446 ( -25.911 0.036 10.089) 27.806 4.352 ( 3.217 1.607 -1.677) 3.968 4.352 ( 3.217 1.607 1.677) 3.968 5.325 ( 3.736 8.826 -20.056) 22.228 5.325 ( 3.736 8.826 20.056) 22.228 5.469 ( -7.278 2.325 -11.266) 13.613 5.469 ( -7.278 2.325 11.266) 13.613 6.540 ( 6.129 -7.272 -8.087) 12.484 6.540 ( 6.129 -7.272 8.087) 12.484 7.409 ( -10.271 3.378 -16.832) 20.005 7.409 ( -10.271 3.378 16.832) 20.005 7.687 ( 3.667 -3.647 -8.166) 9.666 7.687 ( 3.667 -3.647 8.166) 9.666 9.050 ( -0.081 -0.215 -27.672) 27.673 9.050 ( -0.081 -0.215 27.672) 27.673 10.769 ( -0.290 -4.569 -4.153) 6.181 10.769 ( -0.290 -4.569 4.153) 6.181 14.137 ( 6.015 1.863 -14.619) 15.917 14.137 ( 6.015 1.863 14.619) 15.917 14.287 ( -3.478 1.842 -15.397) 15.892 14.287 ( -3.478 1.842 15.397) 15.892 17.429 ( -0.138 -0.132 -6.276) 6.279 17.429 ( -0.138 -0.132 6.276) 6.279 17.711 ( -1.149 -0.083 -1.969) 2.281 17.711 ( -1.149 -0.083 1.969) 2.281 20.109 ( 1.136 -1.983 -4.170) 4.755 20.109 ( 1.136 -1.983 4.170) 4.755 28.990 ( 9.195 0.117 -3.056) 9.690 28.990 ( 9.195 0.117 3.056) 9.690 29.943 ( -15.245 0.952 -7.656) 17.086 29.943 ( -15.245 0.952 7.656) 17.086 34.706 ( 3.545 5.020 -9.624) 11.419 34.706 ( 3.545 5.020 9.624) 11.419 35.997 ( 2.767 -3.451 -9.685) 10.648 35.997 ( 2.767 -3.451 9.685) 10.648 ======================= Grid point 734 (214/215) ======================= q-point: (-0.42 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( -0.000 -0.812 -12.907) 12.932 3.231 ( -0.000 -0.812 12.907) 12.932 4.349 ( 0.000 4.347 -2.957) 5.257 4.349 ( 0.000 4.347 2.957) 5.257 5.241 ( 0.000 15.906 -24.644) 29.331 5.241 ( 0.000 15.906 24.644) 29.331 5.360 ( 0.000 2.702 -2.916) 3.975 5.360 ( 0.000 2.702 2.916) 3.975 6.694 ( -0.000 -9.584 -9.714) 13.646 6.694 ( -0.000 -9.584 9.714) 13.646 7.271 ( 0.000 4.799 -17.622) 18.264 7.271 ( 0.000 4.799 17.622) 18.264 7.763 ( -0.000 -4.775 -9.840) 10.938 7.763 ( -0.000 -4.775 9.840) 10.938 9.066 ( -0.000 -3.636 -27.585) 27.823 9.066 ( -0.000 -3.636 27.585) 27.823 10.835 ( -0.000 -7.819 -3.613) 8.613 10.835 ( -0.000 -7.819 3.613) 8.613 14.178 ( 0.000 6.121 -15.532) 16.695 14.178 ( 0.000 6.121 15.532) 16.695 14.208 ( 0.000 0.978 -14.036) 14.070 14.208 ( 0.000 0.978 14.036) 14.070 17.431 ( -0.000 -0.374 -7.091) 7.101 17.431 ( -0.000 -0.374 7.091) 7.101 17.702 ( -0.000 -0.110 -1.003) 1.009 17.702 ( -0.000 -0.110 1.003) 1.009 20.150 ( -0.000 -3.764 -5.655) 6.793 20.150 ( -0.000 -3.764 5.655) 6.793 29.077 ( 0.000 0.301 -3.094) 3.108 29.077 ( 0.000 0.301 3.094) 3.108 29.788 ( 0.000 2.142 -7.787) 8.076 29.788 ( 0.000 2.142 7.787) 8.076 34.658 ( 0.000 9.449 -9.170) 13.167 34.658 ( 0.000 9.449 9.170) 13.167 36.073 ( -0.000 -6.428 -8.724) 10.837 36.073 ( -0.000 -6.428 8.724) 10.837 ======================= Grid point 758 (215/215) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 1.65e-04 1.65e-04 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( -0.000 -0.000 -11.773) 11.773 3.222 ( -0.000 -0.000 11.773) 11.773 4.387 ( -0.000 -0.000 -1.803) 1.803 4.387 ( -0.000 -0.000 1.803) 1.803 5.387 ( -0.000 -0.000 -3.743) 3.743 5.387 ( -0.000 -0.000 3.743) 3.743 5.450 ( -0.000 -0.000 -32.345) 32.345 5.450 ( -0.000 -0.000 32.345) 32.345 6.547 ( 0.000 0.000 -6.453) 6.453 6.547 ( -0.000 -0.000 6.453) 6.453 7.329 ( -0.000 -0.000 -16.476) 16.476 7.329 ( -0.000 -0.000 16.476) 16.476 7.707 ( -0.000 -0.000 -1.944) 1.944 7.707 ( -0.000 -0.000 1.944) 1.944 9.049 ( -0.000 -0.000 -29.755) 29.755 9.049 ( 0.000 0.000 29.755) 29.755 10.741 ( -0.000 -0.000 -4.575) 4.575 10.741 ( -0.000 -0.000 4.575) 4.575 14.219 ( -0.000 -0.000 -14.355) 14.355 14.219 ( -0.000 -0.000 14.355) 14.355 14.247 ( -0.000 -0.000 -16.740) 16.740 14.247 ( -0.000 -0.000 16.740) 16.740 17.427 ( -0.000 -0.000 -7.462) 7.462 17.427 ( -0.000 -0.000 7.462) 7.462 17.701 ( -0.000 -0.000 -1.275) 1.275 17.701 ( -0.000 -0.000 1.275) 1.275 20.108 ( -0.000 -0.000 -3.578) 3.578 20.108 ( -0.000 -0.000 3.578) 3.578 29.079 ( -0.000 -0.000 -3.012) 3.012 29.079 ( -0.000 -0.000 3.012) 3.012 29.811 ( -0.000 -0.000 -7.852) 7.852 29.811 ( -0.000 -0.000 7.852) 7.852 34.761 ( -0.000 -0.000 -9.896) 9.896 34.761 ( -0.000 -0.000 9.896) 9.896 36.002 ( -0.000 -0.000 -10.455) 10.455 36.002 ( -0.000 -0.000 10.455) 10.455 =================== 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 3/41472 10.0 1374.962 3103.431 2434.276 0.000 0.000 0.000 3/41472 20.0 1267.551 1805.484 1181.607 0.000 0.000 0.000 3/41472 30.0 539.895 598.815 384.963 0.000 0.000 0.000 3/41472 40.0 261.078 260.719 172.951 0.000 0.000 0.000 3/41472 50.0 155.041 140.582 97.695 0.000 0.000 0.000 3/41472 60.0 106.110 88.244 64.210 0.000 0.000 0.000 3/41472 70.0 79.469 61.534 46.635 0.000 0.000 0.000 3/41472 80.0 63.041 46.151 36.193 0.000 0.000 0.000 3/41472 90.0 51.975 36.446 29.389 0.000 0.000 0.000 3/41472 100.0 44.050 29.889 24.647 0.000 0.000 0.000 3/41472 110.0 38.120 25.222 21.174 0.000 0.000 0.000 3/41472 120.0 33.536 21.762 18.533 0.000 0.000 0.000 3/41472 130.0 29.902 19.111 16.465 0.000 0.000 0.000 3/41472 140.0 26.961 17.027 14.808 0.000 0.000 0.000 3/41472 150.0 24.541 15.350 13.454 0.000 0.000 0.000 3/41472 160.0 22.520 13.976 12.330 0.000 0.000 0.000 3/41472 170.0 20.813 12.832 11.384 0.000 0.000 0.000 3/41472 180.0 19.354 11.867 10.577 0.000 0.000 0.000 3/41472 190.0 18.096 11.043 9.883 0.000 0.000 0.000 3/41472 200.0 17.003 10.332 9.280 0.000 0.000 0.000 3/41472 210.0 16.045 9.713 8.752 0.000 0.000 0.000 3/41472 220.0 15.201 9.169 8.286 0.000 0.000 0.000 3/41472 230.0 14.451 8.689 7.873 0.000 0.000 0.000 3/41472 240.0 13.783 8.261 7.503 0.000 0.000 0.000 3/41472 250.0 13.183 7.878 7.171 0.000 0.000 0.000 3/41472 260.0 12.642 7.533 6.871 0.000 0.000 0.000 3/41472 270.0 12.152 7.222 6.600 0.000 0.000 0.000 3/41472 280.0 11.706 6.938 6.352 0.000 0.000 0.000 3/41472 290.0 11.298 6.680 6.125 0.000 0.000 0.000 3/41472 300.0 10.924 6.443 5.917 0.000 0.000 0.000 3/41472 310.0 10.579 6.225 5.725 0.000 0.000 0.000 3/41472 320.0 10.261 6.024 5.548 0.000 0.000 0.000 3/41472 330.0 9.965 5.838 5.384 0.000 0.000 0.000 3/41472 340.0 9.690 5.665 5.230 0.000 0.000 0.000 3/41472 350.0 9.433 5.503 5.087 0.000 0.000 0.000 3/41472 360.0 9.193 5.353 4.954 0.000 0.000 0.000 3/41472 370.0 8.967 5.212 4.828 0.000 0.000 0.000 3/41472 380.0 8.754 5.079 4.710 0.000 0.000 0.000 3/41472 390.0 8.554 4.954 4.598 0.000 0.000 0.000 3/41472 400.0 8.364 4.836 4.493 0.000 0.000 0.000 3/41472 410.0 8.184 4.725 4.394 0.000 0.000 0.000 3/41472 420.0 8.013 4.620 4.299 0.000 0.000 0.000 3/41472 430.0 7.850 4.520 4.209 0.000 0.000 0.000 3/41472 440.0 7.695 4.424 4.123 0.000 0.000 0.000 3/41472 450.0 7.547 4.334 4.042 0.000 0.000 0.000 3/41472 460.0 7.406 4.247 3.964 0.000 0.000 0.000 3/41472 470.0 7.270 4.165 3.889 0.000 0.000 0.000 3/41472 480.0 7.140 4.086 3.818 0.000 0.000 0.000 3/41472 490.0 7.015 4.010 3.749 0.000 0.000 0.000 3/41472 500.0 6.895 3.937 3.683 0.000 0.000 0.000 3/41472 510.0 6.779 3.868 3.620 0.000 0.000 0.000 3/41472 520.0 6.668 3.801 3.559 0.000 0.000 0.000 3/41472 530.0 6.560 3.736 3.500 0.000 0.000 0.000 3/41472 540.0 6.457 3.674 3.444 0.000 0.000 0.000 3/41472 550.0 6.356 3.614 3.389 0.000 0.000 0.000 3/41472 560.0 6.259 3.556 3.336 0.000 0.000 0.000 3/41472 570.0 6.165 3.500 3.285 0.000 0.000 0.000 3/41472 580.0 6.074 3.446 3.236 0.000 0.000 0.000 3/41472 590.0 5.986 3.394 3.188 0.000 0.000 0.000 3/41472 600.0 5.901 3.344 3.142 0.000 0.000 0.000 3/41472 610.0 5.818 3.295 3.097 0.000 0.000 0.000 3/41472 620.0 5.737 3.247 3.053 0.000 0.000 0.000 3/41472 630.0 5.659 3.201 3.011 0.000 0.000 0.000 3/41472 640.0 5.583 3.156 2.969 0.000 0.000 0.000 3/41472 650.0 5.509 3.113 2.929 0.000 0.000 0.000 3/41472 660.0 5.437 3.071 2.891 0.000 0.000 0.000 3/41472 670.0 5.367 3.030 2.853 0.000 0.000 0.000 3/41472 680.0 5.298 2.990 2.816 0.000 0.000 0.000 3/41472 690.0 5.232 2.951 2.780 0.000 0.000 0.000 3/41472 700.0 5.167 2.913 2.745 0.000 0.000 0.000 3/41472 710.0 5.104 2.876 2.711 0.000 0.000 0.000 3/41472 720.0 5.042 2.840 2.678 0.000 0.000 0.000 3/41472 730.0 4.982 2.805 2.645 0.000 0.000 0.000 3/41472 740.0 4.923 2.771 2.614 0.000 0.000 0.000 3/41472 750.0 4.865 2.738 2.583 0.000 0.000 0.000 3/41472 760.0 4.809 2.706 2.553 0.000 0.000 0.000 3/41472 770.0 4.754 2.674 2.524 0.000 0.000 0.000 3/41472 780.0 4.701 2.643 2.495 0.000 0.000 0.000 3/41472 790.0 4.649 2.613 2.467 0.000 0.000 0.000 3/41472 800.0 4.597 2.583 2.439 0.000 0.000 0.000 3/41472 810.0 4.547 2.554 2.412 0.000 0.000 0.000 3/41472 820.0 4.498 2.526 2.386 0.000 0.000 0.000 3/41472 830.0 4.450 2.499 2.360 0.000 0.000 0.000 3/41472 840.0 4.403 2.472 2.335 0.000 0.000 0.000 3/41472 850.0 4.357 2.445 2.311 0.000 0.000 0.000 3/41472 860.0 4.312 2.419 2.286 0.000 0.000 0.000 3/41472 870.0 4.268 2.394 2.263 0.000 0.000 0.000 3/41472 880.0 4.225 2.369 2.240 0.000 0.000 0.000 3/41472 890.0 4.182 2.345 2.217 0.000 0.000 0.000 3/41472 900.0 4.141 2.321 2.195 0.000 0.000 0.000 3/41472 910.0 4.100 2.298 2.173 0.000 0.000 0.000 3/41472 920.0 4.060 2.275 2.152 0.000 0.000 0.000 3/41472 930.0 4.021 2.253 2.131 0.000 0.000 0.000 3/41472 940.0 3.982 2.231 2.110 0.000 0.000 0.000 3/41472 950.0 3.944 2.209 2.090 0.000 0.000 0.000 3/41472 960.0 3.907 2.188 2.070 0.000 0.000 0.000 3/41472 970.0 3.871 2.167 2.051 0.000 0.000 0.000 3/41472 980.0 3.835 2.147 2.032 0.000 0.000 0.000 3/41472 990.0 3.800 2.127 2.013 0.000 0.000 0.000 3/41472 1000.0 3.766 2.107 1.995 0.000 0.000 0.000 3/41472 Thermal conductivity related properties were written into "kappa-m12128.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:28:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|