----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:10:19]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.787165190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.007958749999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.582631350000000 Atomic positions (fractional): *1 Pr 0.55503381720235 0.25000000000000 0.48466228692658 140.908 2 Pr 0.05503381720235 0.25000000000000 0.01533771307342 140.908 3 Pr 0.94496618279765 0.75000000000000 0.98466228692658 140.908 4 Pr 0.44496618279765 0.75000000000000 0.51533771307342 140.908 *5 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 6 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 7 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 8 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 *9 O 0.79825037389804 0.05641701685151 0.20097518654427 15.999 *10 O 0.03814139531379 0.75000000000000 0.39391488321860 15.999 11 O 0.29825037389804 0.44358298314849 0.29902481345573 15.999 12 O 0.96185860468621 0.25000000000000 0.60608511678140 15.999 13 O 0.20174962610196 0.55641701685151 0.79902481345573 15.999 14 O 0.70174962610196 0.94358298314849 0.70097518654427 15.999 15 O 0.29825037389804 0.05641701685151 0.29902481345573 15.999 16 O 0.46185860468621 0.25000000000000 0.89391488321860 15.999 17 O 0.20174962610196 0.94358298314849 0.79902481345573 15.999 18 O 0.70174962610196 0.55641701685151 0.70097518654427 15.999 19 O 0.79825037389804 0.44358298314849 0.20097518654427 15.999 20 O 0.53814139531379 0.75000000000000 0.10608511678140 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.787165190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.007958749999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.582631350000000 Atomic positions (fractional): *1 Pr 0.55503381720235 0.25000000000000 0.48466228692658 140.908 > 1 2 Pr 0.05503381720235 0.25000000000000 0.01533771307342 140.908 > 2 3 Pr 0.94496618279765 0.75000000000000 0.98466228692658 140.908 > 3 4 Pr 0.44496618279765 0.75000000000000 0.51533771307342 140.908 > 4 *5 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 5 6 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 6 7 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 > 7 8 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 8 *9 O 0.79825037389804 0.05641701685151 0.20097518654427 15.999 > 9 *10 O 0.03814139531379 0.75000000000000 0.39391488321860 15.999 > 10 11 O 0.29825037389804 0.44358298314849 0.29902481345573 15.999 > 11 12 O 0.96185860468621 0.25000000000000 0.60608511678140 15.999 > 12 13 O 0.20174962610196 0.55641701685151 0.79902481345573 15.999 > 13 14 O 0.70174962610196 0.94358298314849 0.70097518654427 15.999 > 14 15 O 0.29825037389804 0.05641701685151 0.29902481345573 15.999 > 15 16 O 0.46185860468621 0.25000000000000 0.89391488321860 15.999 > 16 17 O 0.20174962610196 0.94358298314849 0.79902481345573 15.999 > 17 18 O 0.70174962610196 0.55641701685151 0.70097518654427 15.999 > 18 19 O 0.79825037389804 0.44358298314849 0.20097518654427 15.999 > 19 20 O 0.53814139531379 0.75000000000000 0.10608511678140 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.574330379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.007958749999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.165262700000000 Atomic positions (fractional): *1 Pr 0.27751690860117 0.25000000000000 0.24233114346329 140.908 > 1 2 Pr 0.77751690860117 0.25000000000000 0.24233114346329 140.908 > 1 3 Pr 0.27751690860117 0.25000000000000 0.74233114346329 140.908 > 1 4 Pr 0.77751690860117 0.25000000000000 0.74233114346329 140.908 > 1 5 Pr 0.02751690860117 0.25000000000000 0.00766885653671 140.908 > 2 6 Pr 0.52751690860117 0.25000000000000 0.00766885653671 140.908 > 2 7 Pr 0.02751690860117 0.25000000000000 0.50766885653671 140.908 > 2 8 Pr 0.52751690860117 0.25000000000000 0.50766885653671 140.908 > 2 9 Pr 0.47248309139883 0.75000000000000 0.49233114346329 140.908 > 3 10 Pr 0.97248309139883 0.75000000000000 0.49233114346329 140.908 > 3 11 Pr 0.47248309139883 0.75000000000000 0.99233114346329 140.908 > 3 12 Pr 0.97248309139883 0.75000000000000 0.99233114346329 140.908 > 3 13 Pr 0.22248309139883 0.75000000000000 0.25766885653671 140.908 > 4 14 Pr 0.72248309139883 0.75000000000000 0.25766885653671 140.908 > 4 15 Pr 0.22248309139883 0.75000000000000 0.75766885653671 140.908 > 4 16 Pr 0.72248309139883 0.75000000000000 0.75766885653671 140.908 > 4 *17 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 5 18 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 5 19 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 5 20 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 5 21 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 6 22 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 6 23 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 6 24 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 6 25 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 7 26 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 7 27 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 7 28 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 7 29 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 8 30 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 8 31 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 8 32 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 8 *33 O 0.39912518694902 0.05641701685151 0.10048759327214 15.999 > 9 34 O 0.89912518694902 0.05641701685151 0.10048759327214 15.999 > 9 35 O 0.39912518694902 0.05641701685151 0.60048759327214 15.999 > 9 36 O 0.89912518694902 0.05641701685151 0.60048759327214 15.999 > 9 *37 O 0.01907069765689 0.75000000000000 0.19695744160930 15.999 > 10 38 O 0.51907069765689 0.75000000000000 0.19695744160930 15.999 > 10 39 O 0.01907069765689 0.75000000000000 0.69695744160930 15.999 > 10 40 O 0.51907069765689 0.75000000000000 0.69695744160930 15.999 > 10 41 O 0.14912518694902 0.44358298314849 0.14951240672786 15.999 > 11 42 O 0.64912518694902 0.44358298314849 0.14951240672786 15.999 > 11 43 O 0.14912518694902 0.44358298314849 0.64951240672786 15.999 > 11 44 O 0.64912518694902 0.44358298314849 0.64951240672786 15.999 > 11 45 O 0.48092930234311 0.25000000000000 0.30304255839070 15.999 > 12 46 O 0.98092930234311 0.25000000000000 0.30304255839070 15.999 > 12 47 O 0.48092930234311 0.25000000000000 0.80304255839070 15.999 > 12 48 O 0.98092930234311 0.25000000000000 0.80304255839070 15.999 > 12 49 O 0.10087481305098 0.55641701685151 0.39951240672786 15.999 > 13 50 O 0.60087481305098 0.55641701685151 0.39951240672786 15.999 > 13 51 O 0.10087481305098 0.55641701685151 0.89951240672786 15.999 > 13 52 O 0.60087481305098 0.55641701685151 0.89951240672786 15.999 > 13 53 O 0.35087481305098 0.94358298314849 0.35048759327214 15.999 > 14 54 O 0.85087481305098 0.94358298314849 0.35048759327214 15.999 > 14 55 O 0.35087481305098 0.94358298314849 0.85048759327214 15.999 > 14 56 O 0.85087481305098 0.94358298314849 0.85048759327214 15.999 > 14 57 O 0.14912518694902 0.05641701685151 0.14951240672786 15.999 > 15 58 O 0.64912518694902 0.05641701685151 0.14951240672786 15.999 > 15 59 O 0.14912518694902 0.05641701685151 0.64951240672786 15.999 > 15 60 O 0.64912518694902 0.05641701685151 0.64951240672786 15.999 > 15 61 O 0.23092930234311 0.25000000000000 0.44695744160930 15.999 > 16 62 O 0.73092930234311 0.25000000000000 0.44695744160930 15.999 > 16 63 O 0.23092930234311 0.25000000000000 0.94695744160930 15.999 > 16 64 O 0.73092930234311 0.25000000000000 0.94695744160930 15.999 > 16 65 O 0.10087481305098 0.94358298314849 0.39951240672786 15.999 > 17 66 O 0.60087481305098 0.94358298314849 0.39951240672786 15.999 > 17 67 O 0.10087481305098 0.94358298314849 0.89951240672786 15.999 > 17 68 O 0.60087481305098 0.94358298314849 0.89951240672786 15.999 > 17 69 O 0.35087481305098 0.55641701685151 0.35048759327214 15.999 > 18 70 O 0.85087481305098 0.55641701685151 0.35048759327214 15.999 > 18 71 O 0.35087481305098 0.55641701685151 0.85048759327214 15.999 > 18 72 O 0.85087481305098 0.55641701685151 0.85048759327214 15.999 > 18 73 O 0.39912518694902 0.44358298314849 0.10048759327214 15.999 > 19 74 O 0.89912518694902 0.44358298314849 0.10048759327214 15.999 > 19 75 O 0.39912518694902 0.44358298314849 0.60048759327214 15.999 > 19 76 O 0.89912518694902 0.44358298314849 0.60048759327214 15.999 > 19 77 O 0.26907069765689 0.75000000000000 0.05304255839070 15.999 > 20 78 O 0.76907069765689 0.75000000000000 0.05304255839070 15.999 > 20 79 O 0.26907069765689 0.75000000000000 0.55304255839070 15.999 > 20 80 O 0.76907069765689 0.75000000000000 0.55304255839070 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0439525 0.0000000 0.0000000 0.0000000 4.8554540 0.0000000 0.0000000 0.0000000 5.0946141 -------------------------- Born effective charges -------------------------- 1 Pr 4.0866898 0.0000000 0.0915171 0.0000000 3.6829962 0.0000000 0.2893121 0.0000000 4.2450766 2 Pr 4.0866898 0.0000000 -0.0915171 0.0000000 3.6829962 0.0000000 -0.2893121 0.0000000 4.2450766 3 Pr 4.0866898 0.0000000 -0.0915171 0.0000000 3.6829962 0.0000000 -0.2893121 0.0000000 4.2450766 4 Pr 4.0866898 0.0000000 0.0915171 0.0000000 3.6829962 0.0000000 0.2893121 0.0000000 4.2450766 5 Sc 4.0949530 -0.1658065 -0.1440677 -0.1208486 4.0583279 -0.1266674 -0.1418404 -0.1478485 4.0677633 6 Sc 4.0949530 0.1658065 0.1440677 0.1208486 4.0583279 -0.1266674 0.1418404 -0.1478485 4.0677633 7 Sc 4.0949530 -0.1658065 0.1440677 -0.1208486 4.0583279 0.1266674 0.1418404 0.1478485 4.0677633 8 Sc 4.0949530 0.1658065 -0.1440677 0.1208486 4.0583279 0.1266674 -0.1418404 0.1478485 4.0677633 9 O -2.9783707 -0.1677463 -0.4523048 -0.2140101 -2.2519216 -0.0051812 -0.4243989 -0.0456408 -2.8083579 10 O -2.2249013 0.0000000 -0.3726815 0.0000000 -3.2374809 0.0000000 -0.3810507 0.0000000 -2.6961240 11 O -2.9783707 0.1677463 0.4523048 0.2140101 -2.2519216 -0.0051812 0.4243989 -0.0456408 -2.8083579 12 O -2.2249013 0.0000000 -0.3726815 0.0000000 -3.2374809 0.0000000 -0.3810507 0.0000000 -2.6961240 13 O -2.9783707 0.1677463 -0.4523048 0.2140101 -2.2519216 0.0051812 -0.4243989 0.0456408 -2.8083579 14 O -2.9783707 -0.1677463 0.4523048 -0.2140101 -2.2519216 0.0051812 0.4243989 0.0456408 -2.8083579 15 O -2.9783707 -0.1677463 0.4523048 -0.2140101 -2.2519216 0.0051812 0.4243989 0.0456408 -2.8083579 16 O -2.2249013 0.0000000 0.3726815 0.0000000 -3.2374809 0.0000000 0.3810507 0.0000000 -2.6961240 17 O -2.9783707 -0.1677463 -0.4523048 -0.2140101 -2.2519216 -0.0051812 -0.4243989 -0.0456408 -2.8083579 18 O -2.9783707 0.1677463 0.4523048 0.2140101 -2.2519216 -0.0051812 0.4243989 -0.0456408 -2.8083579 19 O -2.9783707 0.1677463 -0.4523048 0.2140101 -2.2519216 0.0051812 -0.4243989 0.0456408 -2.8083579 20 O -2.2249013 0.0000000 0.3726815 0.0000000 -3.2374809 0.0000000 0.3810507 0.0000000 -2.6961240 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.728 Solver_block: 200 / 320 - Time: 0.731 Solver_block: 300 / 320 - Time: 0.729 Solver_block: 320 / 320 - Time: 0.183 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.388 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 15:10:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:10:32]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.787165190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.007958749999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.582631350000000 Atomic positions (fractional): 1 Pr 0.55503381720235 0.25000000000000 0.48466228692658 140.908 2 Pr 0.05503381720235 0.25000000000000 0.01533771307342 140.908 3 Pr 0.94496618279765 0.75000000000000 0.98466228692658 140.908 4 Pr 0.44496618279765 0.75000000000000 0.51533771307342 140.908 5 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 6 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 7 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 8 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 9 O 0.79825037389804 0.05641701685151 0.20097518654427 15.999 10 O 0.03814139531379 0.75000000000000 0.39391488321860 15.999 11 O 0.29825037389804 0.44358298314849 0.29902481345573 15.999 12 O 0.96185860468621 0.25000000000000 0.60608511678140 15.999 13 O 0.20174962610196 0.55641701685151 0.79902481345573 15.999 14 O 0.70174962610196 0.94358298314849 0.70097518654427 15.999 15 O 0.29825037389804 0.05641701685151 0.29902481345573 15.999 16 O 0.46185860468621 0.25000000000000 0.89391488321860 15.999 17 O 0.20174962610196 0.94358298314849 0.79902481345573 15.999 18 O 0.70174962610196 0.55641701685151 0.70097518654427 15.999 19 O 0.79825037389804 0.44358298314849 0.20097518654427 15.999 20 O 0.53814139531379 0.75000000000000 0.10608511678140 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.574330379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.007958749999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.165262700000000 Atomic positions (fractional): 1 Pr 0.27751690860117 0.25000000000000 0.24233114346329 140.908 > 1 2 Pr 0.77751690860117 0.25000000000000 0.24233114346329 140.908 > 1 3 Pr 0.27751690860117 0.25000000000000 0.74233114346329 140.908 > 1 4 Pr 0.77751690860117 0.25000000000000 0.74233114346329 140.908 > 1 5 Pr 0.02751690860117 0.25000000000000 0.00766885653671 140.908 > 5 6 Pr 0.52751690860117 0.25000000000000 0.00766885653671 140.908 > 5 7 Pr 0.02751690860117 0.25000000000000 0.50766885653671 140.908 > 5 8 Pr 0.52751690860117 0.25000000000000 0.50766885653671 140.908 > 5 9 Pr 0.47248309139883 0.75000000000000 0.49233114346329 140.908 > 9 10 Pr 0.97248309139883 0.75000000000000 0.49233114346329 140.908 > 9 11 Pr 0.47248309139883 0.75000000000000 0.99233114346329 140.908 > 9 12 Pr 0.97248309139883 0.75000000000000 0.99233114346329 140.908 > 9 13 Pr 0.22248309139883 0.75000000000000 0.25766885653671 140.908 > 13 14 Pr 0.72248309139883 0.75000000000000 0.25766885653671 140.908 > 13 15 Pr 0.22248309139883 0.75000000000000 0.75766885653671 140.908 > 13 16 Pr 0.72248309139883 0.75000000000000 0.75766885653671 140.908 > 13 17 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 17 18 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 17 19 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 17 20 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 17 21 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 21 22 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 21 23 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 21 24 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 21 25 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 25 26 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 25 27 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 25 28 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 25 29 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 29 30 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 29 31 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 29 32 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 29 33 O 0.39912518694902 0.05641701685151 0.10048759327214 15.999 > 33 34 O 0.89912518694902 0.05641701685151 0.10048759327214 15.999 > 33 35 O 0.39912518694902 0.05641701685151 0.60048759327214 15.999 > 33 36 O 0.89912518694902 0.05641701685151 0.60048759327214 15.999 > 33 37 O 0.01907069765689 0.75000000000000 0.19695744160930 15.999 > 37 38 O 0.51907069765689 0.75000000000000 0.19695744160930 15.999 > 37 39 O 0.01907069765689 0.75000000000000 0.69695744160930 15.999 > 37 40 O 0.51907069765689 0.75000000000000 0.69695744160930 15.999 > 37 41 O 0.14912518694902 0.44358298314849 0.14951240672786 15.999 > 41 42 O 0.64912518694902 0.44358298314849 0.14951240672786 15.999 > 41 43 O 0.14912518694902 0.44358298314849 0.64951240672786 15.999 > 41 44 O 0.64912518694902 0.44358298314849 0.64951240672786 15.999 > 41 45 O 0.48092930234311 0.25000000000000 0.30304255839070 15.999 > 45 46 O 0.98092930234311 0.25000000000000 0.30304255839070 15.999 > 45 47 O 0.48092930234311 0.25000000000000 0.80304255839070 15.999 > 45 48 O 0.98092930234311 0.25000000000000 0.80304255839070 15.999 > 45 49 O 0.10087481305098 0.55641701685151 0.39951240672786 15.999 > 49 50 O 0.60087481305098 0.55641701685151 0.39951240672786 15.999 > 49 51 O 0.10087481305098 0.55641701685151 0.89951240672786 15.999 > 49 52 O 0.60087481305098 0.55641701685151 0.89951240672786 15.999 > 49 53 O 0.35087481305098 0.94358298314849 0.35048759327214 15.999 > 53 54 O 0.85087481305098 0.94358298314849 0.35048759327214 15.999 > 53 55 O 0.35087481305098 0.94358298314849 0.85048759327214 15.999 > 53 56 O 0.85087481305098 0.94358298314849 0.85048759327214 15.999 > 53 57 O 0.14912518694902 0.05641701685151 0.14951240672786 15.999 > 57 58 O 0.64912518694902 0.05641701685151 0.14951240672786 15.999 > 57 59 O 0.14912518694902 0.05641701685151 0.64951240672786 15.999 > 57 60 O 0.64912518694902 0.05641701685151 0.64951240672786 15.999 > 57 61 O 0.23092930234311 0.25000000000000 0.44695744160930 15.999 > 61 62 O 0.73092930234311 0.25000000000000 0.44695744160930 15.999 > 61 63 O 0.23092930234311 0.25000000000000 0.94695744160930 15.999 > 61 64 O 0.73092930234311 0.25000000000000 0.94695744160930 15.999 > 61 65 O 0.10087481305098 0.94358298314849 0.39951240672786 15.999 > 65 66 O 0.60087481305098 0.94358298314849 0.39951240672786 15.999 > 65 67 O 0.10087481305098 0.94358298314849 0.89951240672786 15.999 > 65 68 O 0.60087481305098 0.94358298314849 0.89951240672786 15.999 > 65 69 O 0.35087481305098 0.55641701685151 0.35048759327214 15.999 > 69 70 O 0.85087481305098 0.55641701685151 0.35048759327214 15.999 > 69 71 O 0.35087481305098 0.55641701685151 0.85048759327214 15.999 > 69 72 O 0.85087481305098 0.55641701685151 0.85048759327214 15.999 > 69 73 O 0.39912518694902 0.44358298314849 0.10048759327214 15.999 > 73 74 O 0.89912518694902 0.44358298314849 0.10048759327214 15.999 > 73 75 O 0.39912518694902 0.44358298314849 0.60048759327214 15.999 > 73 76 O 0.89912518694902 0.44358298314849 0.60048759327214 15.999 > 73 77 O 0.26907069765689 0.75000000000000 0.05304255839070 15.999 > 77 78 O 0.76907069765689 0.75000000000000 0.05304255839070 15.999 > 77 79 O 0.26907069765689 0.75000000000000 0.55304255839070 15.999 > 77 80 O 0.76907069765689 0.75000000000000 0.55304255839070 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0439525 0.0000000 0.0000000 0.0000000 4.8554540 0.0000000 0.0000000 0.0000000 5.0946141 -------------------------- Born effective charges -------------------------- 1 Pr 4.0866898 0.0000000 0.0915171 0.0000000 3.6829962 0.0000000 0.2893121 0.0000000 4.2450766 2 Pr 4.0866898 0.0000000 -0.0915171 0.0000000 3.6829962 0.0000000 -0.2893121 0.0000000 4.2450766 3 Pr 4.0866898 0.0000000 -0.0915171 0.0000000 3.6829962 0.0000000 -0.2893121 0.0000000 4.2450766 4 Pr 4.0866898 0.0000000 0.0915171 0.0000000 3.6829962 0.0000000 0.2893121 0.0000000 4.2450766 5 Sc 4.0949530 -0.1658065 -0.1440677 -0.1208486 4.0583279 -0.1266674 -0.1418404 -0.1478485 4.0677633 6 Sc 4.0949530 0.1658065 0.1440677 0.1208486 4.0583279 -0.1266674 0.1418404 -0.1478485 4.0677633 7 Sc 4.0949530 -0.1658065 0.1440677 -0.1208486 4.0583279 0.1266674 0.1418404 0.1478485 4.0677633 8 Sc 4.0949530 0.1658065 -0.1440677 0.1208486 4.0583279 0.1266674 -0.1418404 0.1478485 4.0677633 9 O -2.9783707 -0.1677463 -0.4523048 -0.2140101 -2.2519216 -0.0051812 -0.4243989 -0.0456408 -2.8083579 10 O -2.2249013 0.0000000 -0.3726815 0.0000000 -3.2374809 0.0000000 -0.3810507 0.0000000 -2.6961240 11 O -2.9783707 0.1677463 0.4523048 0.2140101 -2.2519216 -0.0051812 0.4243989 -0.0456408 -2.8083579 12 O -2.2249013 0.0000000 -0.3726815 0.0000000 -3.2374809 0.0000000 -0.3810507 0.0000000 -2.6961240 13 O -2.9783707 0.1677463 -0.4523048 0.2140101 -2.2519216 0.0051812 -0.4243989 0.0456408 -2.8083579 14 O -2.9783707 -0.1677463 0.4523048 -0.2140101 -2.2519216 0.0051812 0.4243989 0.0456408 -2.8083579 15 O -2.9783707 -0.1677463 0.4523048 -0.2140101 -2.2519216 0.0051812 0.4243989 0.0456408 -2.8083579 16 O -2.2249013 0.0000000 0.3726815 0.0000000 -3.2374809 0.0000000 0.3810507 0.0000000 -2.6961240 17 O -2.9783707 -0.1677463 -0.4523048 -0.2140101 -2.2519216 -0.0051812 -0.4243989 -0.0456408 -2.8083579 18 O -2.9783707 0.1677463 0.4523048 0.2140101 -2.2519216 -0.0051812 0.4243989 -0.0456408 -2.8083579 19 O -2.9783707 0.1677463 -0.4523048 0.2140101 -2.2519216 0.0051812 -0.4243989 0.0456408 -2.8083579 20 O -2.2249013 0.0000000 0.3726815 0.0000000 -3.2374809 0.0000000 0.3810507 0.0000000 -2.6961240 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (xxx) 0.00000004 (xxx) 0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (xz) 0.00000004 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:10:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:10:42]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.787165190000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.007958749999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.582631350000000 Atomic positions (fractional): 1 Pr 0.55503381720235 0.25000000000000 0.48466228692658 140.908 2 Pr 0.05503381720235 0.25000000000000 0.01533771307342 140.908 3 Pr 0.94496618279765 0.75000000000000 0.98466228692658 140.908 4 Pr 0.44496618279765 0.75000000000000 0.51533771307342 140.908 5 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 6 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 7 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 8 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 9 O 0.79825037389804 0.05641701685151 0.20097518654427 15.999 10 O 0.03814139531379 0.75000000000000 0.39391488321860 15.999 11 O 0.29825037389804 0.44358298314849 0.29902481345573 15.999 12 O 0.96185860468621 0.25000000000000 0.60608511678140 15.999 13 O 0.20174962610196 0.55641701685151 0.79902481345573 15.999 14 O 0.70174962610196 0.94358298314849 0.70097518654427 15.999 15 O 0.29825037389804 0.05641701685151 0.29902481345573 15.999 16 O 0.46185860468621 0.25000000000000 0.89391488321860 15.999 17 O 0.20174962610196 0.94358298314849 0.79902481345573 15.999 18 O 0.70174962610196 0.55641701685151 0.70097518654427 15.999 19 O 0.79825037389804 0.44358298314849 0.20097518654427 15.999 20 O 0.53814139531379 0.75000000000000 0.10608511678140 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.574330379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.007958749999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.165262700000000 Atomic positions (fractional): 1 Pr 0.27751690860117 0.25000000000000 0.24233114346329 140.908 > 1 2 Pr 0.77751690860117 0.25000000000000 0.24233114346329 140.908 > 1 3 Pr 0.27751690860117 0.25000000000000 0.74233114346329 140.908 > 1 4 Pr 0.77751690860117 0.25000000000000 0.74233114346329 140.908 > 1 5 Pr 0.02751690860117 0.25000000000000 0.00766885653671 140.908 > 5 6 Pr 0.52751690860117 0.25000000000000 0.00766885653671 140.908 > 5 7 Pr 0.02751690860117 0.25000000000000 0.50766885653671 140.908 > 5 8 Pr 0.52751690860117 0.25000000000000 0.50766885653671 140.908 > 5 9 Pr 0.47248309139883 0.75000000000000 0.49233114346329 140.908 > 9 10 Pr 0.97248309139883 0.75000000000000 0.49233114346329 140.908 > 9 11 Pr 0.47248309139883 0.75000000000000 0.99233114346329 140.908 > 9 12 Pr 0.97248309139883 0.75000000000000 0.99233114346329 140.908 > 9 13 Pr 0.22248309139883 0.75000000000000 0.25766885653671 140.908 > 13 14 Pr 0.72248309139883 0.75000000000000 0.25766885653671 140.908 > 13 15 Pr 0.22248309139883 0.75000000000000 0.75766885653671 140.908 > 13 16 Pr 0.72248309139883 0.75000000000000 0.75766885653671 140.908 > 13 17 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 17 18 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 17 19 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 17 20 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 17 21 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 21 22 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 21 23 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 21 24 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 21 25 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 25 26 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 25 27 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 25 28 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 25 29 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 29 30 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 29 31 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 29 32 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 29 33 O 0.39912518694902 0.05641701685151 0.10048759327214 15.999 > 33 34 O 0.89912518694902 0.05641701685151 0.10048759327214 15.999 > 33 35 O 0.39912518694902 0.05641701685151 0.60048759327214 15.999 > 33 36 O 0.89912518694902 0.05641701685151 0.60048759327214 15.999 > 33 37 O 0.01907069765689 0.75000000000000 0.19695744160930 15.999 > 37 38 O 0.51907069765689 0.75000000000000 0.19695744160930 15.999 > 37 39 O 0.01907069765689 0.75000000000000 0.69695744160930 15.999 > 37 40 O 0.51907069765689 0.75000000000000 0.69695744160930 15.999 > 37 41 O 0.14912518694902 0.44358298314849 0.14951240672786 15.999 > 41 42 O 0.64912518694902 0.44358298314849 0.14951240672786 15.999 > 41 43 O 0.14912518694902 0.44358298314849 0.64951240672786 15.999 > 41 44 O 0.64912518694902 0.44358298314849 0.64951240672786 15.999 > 41 45 O 0.48092930234311 0.25000000000000 0.30304255839070 15.999 > 45 46 O 0.98092930234311 0.25000000000000 0.30304255839070 15.999 > 45 47 O 0.48092930234311 0.25000000000000 0.80304255839070 15.999 > 45 48 O 0.98092930234311 0.25000000000000 0.80304255839070 15.999 > 45 49 O 0.10087481305098 0.55641701685151 0.39951240672786 15.999 > 49 50 O 0.60087481305098 0.55641701685151 0.39951240672786 15.999 > 49 51 O 0.10087481305098 0.55641701685151 0.89951240672786 15.999 > 49 52 O 0.60087481305098 0.55641701685151 0.89951240672786 15.999 > 49 53 O 0.35087481305098 0.94358298314849 0.35048759327214 15.999 > 53 54 O 0.85087481305098 0.94358298314849 0.35048759327214 15.999 > 53 55 O 0.35087481305098 0.94358298314849 0.85048759327214 15.999 > 53 56 O 0.85087481305098 0.94358298314849 0.85048759327214 15.999 > 53 57 O 0.14912518694902 0.05641701685151 0.14951240672786 15.999 > 57 58 O 0.64912518694902 0.05641701685151 0.14951240672786 15.999 > 57 59 O 0.14912518694902 0.05641701685151 0.64951240672786 15.999 > 57 60 O 0.64912518694902 0.05641701685151 0.64951240672786 15.999 > 57 61 O 0.23092930234311 0.25000000000000 0.44695744160930 15.999 > 61 62 O 0.73092930234311 0.25000000000000 0.44695744160930 15.999 > 61 63 O 0.23092930234311 0.25000000000000 0.94695744160930 15.999 > 61 64 O 0.73092930234311 0.25000000000000 0.94695744160930 15.999 > 61 65 O 0.10087481305098 0.94358298314849 0.39951240672786 15.999 > 65 66 O 0.60087481305098 0.94358298314849 0.39951240672786 15.999 > 65 67 O 0.10087481305098 0.94358298314849 0.89951240672786 15.999 > 65 68 O 0.60087481305098 0.94358298314849 0.89951240672786 15.999 > 65 69 O 0.35087481305098 0.55641701685151 0.35048759327214 15.999 > 69 70 O 0.85087481305098 0.55641701685151 0.35048759327214 15.999 > 69 71 O 0.35087481305098 0.55641701685151 0.85048759327214 15.999 > 69 72 O 0.85087481305098 0.55641701685151 0.85048759327214 15.999 > 69 73 O 0.39912518694902 0.44358298314849 0.10048759327214 15.999 > 73 74 O 0.89912518694902 0.44358298314849 0.10048759327214 15.999 > 73 75 O 0.39912518694902 0.44358298314849 0.60048759327214 15.999 > 73 76 O 0.89912518694902 0.44358298314849 0.60048759327214 15.999 > 73 77 O 0.26907069765689 0.75000000000000 0.05304255839070 15.999 > 77 78 O 0.76907069765689 0.75000000000000 0.05304255839070 15.999 > 77 79 O 0.26907069765689 0.75000000000000 0.55304255839070 15.999 > 77 80 O 0.76907069765689 0.75000000000000 0.55304255839070 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0439525 0.0000000 0.0000000 0.0000000 4.8554540 0.0000000 0.0000000 0.0000000 5.0946141 -------------------------- Born effective charges -------------------------- 1 Pr 4.0866898 0.0000000 0.0915171 0.0000000 3.6829962 0.0000000 0.2893121 0.0000000 4.2450766 2 Pr 4.0866898 0.0000000 -0.0915171 0.0000000 3.6829962 0.0000000 -0.2893121 0.0000000 4.2450766 3 Pr 4.0866898 0.0000000 -0.0915171 0.0000000 3.6829962 0.0000000 -0.2893121 0.0000000 4.2450766 4 Pr 4.0866898 0.0000000 0.0915171 0.0000000 3.6829962 0.0000000 0.2893121 0.0000000 4.2450766 5 Sc 4.0949530 -0.1658065 -0.1440677 -0.1208486 4.0583279 -0.1266674 -0.1418404 -0.1478485 4.0677633 6 Sc 4.0949530 0.1658065 0.1440677 0.1208486 4.0583279 -0.1266674 0.1418404 -0.1478485 4.0677633 7 Sc 4.0949530 -0.1658065 0.1440677 -0.1208486 4.0583279 0.1266674 0.1418404 0.1478485 4.0677633 8 Sc 4.0949530 0.1658065 -0.1440677 0.1208486 4.0583279 0.1266674 -0.1418404 0.1478485 4.0677633 9 O -2.9783707 -0.1677463 -0.4523048 -0.2140101 -2.2519216 -0.0051812 -0.4243989 -0.0456408 -2.8083579 10 O -2.2249013 0.0000000 -0.3726815 0.0000000 -3.2374809 0.0000000 -0.3810507 0.0000000 -2.6961240 11 O -2.9783707 0.1677463 0.4523048 0.2140101 -2.2519216 -0.0051812 0.4243989 -0.0456408 -2.8083579 12 O -2.2249013 0.0000000 -0.3726815 0.0000000 -3.2374809 0.0000000 -0.3810507 0.0000000 -2.6961240 13 O -2.9783707 0.1677463 -0.4523048 0.2140101 -2.2519216 0.0051812 -0.4243989 0.0456408 -2.8083579 14 O -2.9783707 -0.1677463 0.4523048 -0.2140101 -2.2519216 0.0051812 0.4243989 0.0456408 -2.8083579 15 O -2.9783707 -0.1677463 0.4523048 -0.2140101 -2.2519216 0.0051812 0.4243989 0.0456408 -2.8083579 16 O -2.2249013 0.0000000 0.3726815 0.0000000 -3.2374809 0.0000000 0.3810507 0.0000000 -2.6961240 17 O -2.9783707 -0.1677463 -0.4523048 -0.2140101 -2.2519216 -0.0051812 -0.4243989 -0.0456408 -2.8083579 18 O -2.9783707 0.1677463 0.4523048 0.2140101 -2.2519216 -0.0051812 0.4243989 -0.0456408 -2.8083579 19 O -2.9783707 0.1677463 -0.4523048 0.2140101 -2.2519216 0.0051812 -0.4243989 0.0456408 -2.8083579 20 O -2.2249013 0.0000000 0.3726815 0.0000000 -3.2374809 0.0000000 0.3810507 0.0000000 -2.6961240 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (xxx) 0.00000004 (xxx) 0.00000004 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.65, Number of G-points: 315, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.489 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 5.038 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.839 ( 0.000 0.000 0.000) 0.000 5.946 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.773 ( 0.000 0.000 0.000) 0.000 6.996 ( 0.000 0.000 0.000) 0.000 7.342 ( 0.000 0.000 0.000) 0.000 7.795 ( 0.000 0.000 0.000) 0.000 8.165 ( 0.000 0.000 0.000) 0.000 8.213 ( 0.000 0.000 0.000) 0.000 8.484 ( 0.000 0.000 0.000) 0.000 8.617 ( 0.000 0.000 0.000) 0.000 8.628 ( 0.000 0.000 0.000) 0.000 9.046 ( 0.000 0.000 0.000) 0.000 9.515 ( 0.000 0.000 0.000) 0.000 9.579 ( 0.000 0.000 0.000) 0.000 9.819 ( 0.000 0.000 0.000) 0.000 9.826 ( 0.000 0.000 0.000) 0.000 10.021 ( 0.000 0.000 0.000) 0.000 10.340 ( 0.000 0.000 0.000) 0.000 10.766 ( 0.000 0.000 0.000) 0.000 10.877 ( 0.000 0.000 0.000) 0.000 10.891 ( 0.000 0.000 0.000) 0.000 11.067 ( 0.000 0.000 0.000) 0.000 11.273 ( 0.000 0.000 0.000) 0.000 11.790 ( 0.000 0.000 0.000) 0.000 12.482 ( 0.000 0.000 0.000) 0.000 12.636 ( 0.000 0.000 0.000) 0.000 12.779 ( 0.000 0.000 0.000) 0.000 12.810 ( 0.000 0.000 0.000) 0.000 13.387 ( 0.000 0.000 0.000) 0.000 13.581 ( 0.000 0.000 0.000) 0.000 13.724 ( 0.000 0.000 0.000) 0.000 14.169 ( 0.000 0.000 0.000) 0.000 14.187 ( 0.000 0.000 0.000) 0.000 14.232 ( 0.000 0.000 0.000) 0.000 14.356 ( 0.000 0.000 0.000) 0.000 14.379 ( 0.000 0.000 0.000) 0.000 14.544 ( 0.000 0.000 0.000) 0.000 14.851 ( 0.000 0.000 0.000) 0.000 15.076 ( 0.000 0.000 0.000) 0.000 15.728 ( 0.000 0.000 0.000) 0.000 18.149 ( 0.000 0.000 0.000) 0.000 19.321 ( 0.000 0.000 0.000) 0.000 19.821 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 35.739 0.000 0.000) 35.739 0.779 ( 39.921 0.000 0.000) 39.921 1.244 ( 60.995 0.000 0.000) 60.995 2.736 ( 3.384 0.000 0.000) 3.384 3.133 ( -5.771 0.000 0.000) 5.771 3.347 ( 0.650 0.000 0.000) 0.650 3.395 ( -1.512 0.000 0.000) 1.512 3.494 ( 0.943 0.000 0.000) 0.943 3.697 ( -7.796 0.000 0.000) 7.796 3.799 ( -1.315 0.000 0.000) 1.315 3.944 ( -15.779 0.000 0.000) 15.779 4.570 ( -11.812 0.000 0.000) 11.812 4.594 ( 8.733 0.000 0.000) 8.733 5.014 ( 4.274 0.000 0.000) 4.274 5.163 ( 11.970 0.000 0.000) 11.970 5.489 ( -1.928 0.000 0.000) 1.928 6.244 ( 23.189 0.000 0.000) 23.189 6.362 ( -3.685 0.000 0.000) 3.685 6.675 ( -1.190 0.000 0.000) 1.190 6.708 ( -5.193 0.000 0.000) 5.193 7.272 ( 7.477 0.000 0.000) 7.477 7.404 ( 6.357 0.000 0.000) 6.357 7.674 ( -9.466 0.000 0.000) 9.466 8.201 ( 0.435 0.000 0.000) 0.435 8.495 ( -11.960 0.000 0.000) 11.960 8.555 ( 7.071 0.000 0.000) 7.071 8.637 ( 2.049 0.000 0.000) 2.049 8.671 ( -2.677 0.000 0.000) 2.677 9.070 ( 1.673 0.000 0.000) 1.673 9.587 ( 1.466 0.000 0.000) 1.466 9.631 ( 10.370 0.000 0.000) 10.370 9.919 ( 9.564 0.000 0.000) 9.564 9.981 ( -4.841 0.000 0.000) 4.841 10.319 ( 1.944 0.000 0.000) 1.944 10.648 ( -10.034 0.000 0.000) 10.034 10.833 ( -5.916 0.000 0.000) 5.916 10.926 ( 3.465 0.000 0.000) 3.465 11.096 ( 2.655 0.000 0.000) 2.655 11.132 ( -11.506 0.000 0.000) 11.506 11.701 ( -6.894 0.000 0.000) 6.894 12.086 ( 1.834 0.000 0.000) 1.834 12.537 ( -9.283 0.000 0.000) 9.283 12.749 ( -6.017 0.000 0.000) 6.017 12.768 ( -4.355 0.000 0.000) 4.355 13.464 ( 7.042 0.000 0.000) 7.042 13.531 ( 12.449 0.000 0.000) 12.449 13.614 ( 5.579 0.000 0.000) 5.579 13.742 ( 1.916 0.000 0.000) 1.916 14.160 ( -0.783 0.000 0.000) 0.783 14.227 ( -0.574 0.000 0.000) 0.574 14.354 ( -0.337 0.000 0.000) 0.337 14.380 ( -0.063 0.000 0.000) 0.063 14.551 ( 0.768 0.000 0.000) 0.768 14.869 ( 0.823 0.000 0.000) 0.823 15.099 ( 2.514 0.000 0.000) 2.514 15.628 ( -4.863 0.000 0.000) 4.863 18.227 ( 8.007 0.000 0.000) 8.007 19.315 ( -0.565 0.000 0.000) 0.565 19.412 ( -1.387 0.000 0.000) 1.387 19.810 ( -1.281 0.000 0.000) 1.281 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 31.599 0.000 0.000) 31.599 1.518 ( 36.573 0.000 0.000) 36.573 2.240 ( 39.326 0.000 0.000) 39.326 2.811 ( 3.710 0.000 0.000) 3.710 3.006 ( -6.725 0.000 0.000) 6.725 3.348 ( -3.151 0.000 0.000) 3.151 3.391 ( 5.381 0.000 0.000) 5.381 3.503 ( -11.537 0.000 0.000) 11.537 3.531 ( 2.840 0.000 0.000) 2.840 3.572 ( -20.878 0.000 0.000) 20.878 3.772 ( -1.217 0.000 0.000) 1.217 4.271 ( -18.545 0.000 0.000) 18.545 4.761 ( 7.536 0.000 0.000) 7.536 5.100 ( 3.850 0.000 0.000) 3.850 5.462 ( 18.338 0.000 0.000) 18.338 5.584 ( 10.959 0.000 0.000) 10.959 6.299 ( -1.144 0.000 0.000) 1.144 6.615 ( -4.224 0.000 0.000) 4.224 6.633 ( -3.431 0.000 0.000) 3.431 6.713 ( 24.410 0.000 0.000) 24.410 7.415 ( 6.518 0.000 0.000) 6.518 7.507 ( -7.109 0.000 0.000) 7.109 7.577 ( 10.966 0.000 0.000) 10.966 8.135 ( -7.315 0.000 0.000) 7.315 8.247 ( -11.916 0.000 0.000) 11.916 8.633 ( -0.728 0.000 0.000) 0.728 8.693 ( 3.688 0.000 0.000) 3.688 8.701 ( 6.508 0.000 0.000) 6.508 9.078 ( -1.263 0.000 0.000) 1.263 9.664 ( 5.908 0.000 0.000) 5.908 9.813 ( -11.587 0.000 0.000) 11.587 9.854 ( 11.849 0.000 0.000) 11.849 10.099 ( 4.300 0.000 0.000) 4.300 10.377 ( 3.928 0.000 0.000) 3.928 10.446 ( -7.562 0.000 0.000) 7.562 10.667 ( -11.139 0.000 0.000) 11.139 10.935 ( -7.387 0.000 0.000) 7.387 11.012 ( 6.224 0.000 0.000) 6.224 11.145 ( 1.906 0.000 0.000) 1.906 11.625 ( 0.634 0.000 0.000) 0.634 12.034 ( -7.224 0.000 0.000) 7.224 12.317 ( -13.005 0.000 0.000) 13.005 12.499 ( -18.687 0.000 0.000) 18.687 12.645 ( -8.424 0.000 0.000) 8.424 13.620 ( 8.558 0.000 0.000) 8.558 13.800 ( 4.162 0.000 0.000) 4.162 13.826 ( 15.227 0.000 0.000) 15.227 13.867 ( 21.159 0.000 0.000) 21.159 14.149 ( -0.154 0.000 0.000) 0.154 14.207 ( -1.608 0.000 0.000) 1.608 14.340 ( -1.178 0.000 0.000) 1.178 14.368 ( -1.371 0.000 0.000) 1.371 14.572 ( 1.460 0.000 0.000) 1.460 14.859 ( -1.650 0.000 0.000) 1.650 15.159 ( 2.800 0.000 0.000) 2.800 15.492 ( -9.133 0.000 0.000) 9.133 18.448 ( 14.617 0.000 0.000) 14.617 19.301 ( -0.839 0.000 0.000) 0.839 19.377 ( -2.177 0.000 0.000) 2.177 19.762 ( -4.061 0.000 0.000) 4.061 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 25.711 0.000 0.000) 25.711 2.162 ( 29.822 0.000 0.000) 29.822 2.688 ( 9.256 0.000 0.000) 9.256 2.851 ( -0.036 0.000 0.000) 0.036 2.893 ( -3.973 0.000 0.000) 3.973 3.209 ( -15.608 0.000 0.000) 15.608 3.281 ( -3.899 0.000 0.000) 3.899 3.285 ( -10.597 0.000 0.000) 10.597 3.535 ( 5.382 0.000 0.000) 5.382 3.601 ( 4.351 0.000 0.000) 4.351 3.775 ( 2.071 0.000 0.000) 2.071 3.898 ( -18.901 0.000 0.000) 18.901 4.879 ( 5.203 0.000 0.000) 5.203 5.134 ( -0.699 0.000 0.000) 0.699 5.833 ( 19.358 0.000 0.000) 19.358 5.849 ( 15.158 0.000 0.000) 15.158 6.398 ( 11.785 0.000 0.000) 11.785 6.535 ( -6.933 0.000 0.000) 6.933 6.548 ( -1.754 0.000 0.000) 1.754 7.144 ( 19.657 0.000 0.000) 19.657 7.407 ( -3.829 0.000 0.000) 3.829 7.504 ( 2.639 0.000 0.000) 2.639 7.734 ( 1.164 0.000 0.000) 1.164 7.920 ( -14.911 0.000 0.000) 14.911 8.152 ( 6.215 0.000 0.000) 6.215 8.657 ( 3.449 0.000 0.000) 3.449 8.765 ( 2.809 0.000 0.000) 2.809 8.784 ( 2.517 0.000 0.000) 2.517 9.022 ( -4.128 0.000 0.000) 4.128 9.453 ( -19.518 0.000 0.000) 19.518 9.921 ( 15.042 0.000 0.000) 15.042 9.965 ( -12.315 0.000 0.000) 12.315 10.047 ( 6.436 0.000 0.000) 6.436 10.434 ( -11.212 0.000 0.000) 11.212 10.447 ( 2.438 0.000 0.000) 2.438 10.450 ( 2.919 0.000 0.000) 2.919 10.879 ( 1.664 0.000 0.000) 1.664 11.159 ( -0.565 0.000 0.000) 0.565 11.191 ( 12.505 0.000 0.000) 12.505 11.724 ( 8.536 0.000 0.000) 8.536 11.847 ( -10.805 0.000 0.000) 10.805 12.052 ( -14.443 0.000 0.000) 14.443 12.108 ( -20.015 0.000 0.000) 20.015 12.450 ( -11.677 0.000 0.000) 11.677 13.780 ( 7.960 0.000 0.000) 7.960 13.899 ( 5.865 0.000 0.000) 5.865 14.143 ( 16.668 0.000 0.000) 16.668 14.155 ( 0.662 0.000 0.000) 0.662 14.162 ( -3.040 0.000 0.000) 3.040 14.278 ( 19.602 0.000 0.000) 19.602 14.309 ( -1.922 0.000 0.000) 1.922 14.324 ( -3.148 0.000 0.000) 3.148 14.612 ( 3.227 0.000 0.000) 3.227 14.821 ( -1.827 0.000 0.000) 1.827 15.173 ( -1.934 0.000 0.000) 1.934 15.287 ( -11.846 0.000 0.000) 11.846 18.768 ( 18.159 0.000 0.000) 18.159 19.287 ( -0.555 0.000 0.000) 0.555 19.334 ( -2.131 0.000 0.000) 2.131 19.643 ( -8.646 0.000 0.000) 8.646 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 18.896 0.000 0.000) 18.896 2.628 ( 17.441 0.000 0.000) 17.441 2.630 ( -11.394 0.000 0.000) 11.394 2.810 ( -4.051 0.000 0.000) 4.051 2.972 ( 10.072 0.000 0.000) 10.072 3.017 ( -3.186 0.000 0.000) 3.186 3.098 ( -8.916 0.000 0.000) 8.916 3.172 ( -8.622 0.000 0.000) 8.622 3.555 ( -0.640 0.000 0.000) 0.640 3.607 ( -7.920 0.000 0.000) 7.920 3.705 ( 4.678 0.000 0.000) 4.678 3.787 ( -2.425 0.000 0.000) 2.425 4.977 ( 5.280 0.000 0.000) 5.280 5.078 ( -4.686 0.000 0.000) 4.686 6.131 ( 13.694 0.000 0.000) 13.694 6.172 ( 15.231 0.000 0.000) 15.231 6.366 ( -10.651 0.000 0.000) 10.651 6.399 ( -8.292 0.000 0.000) 8.292 6.852 ( 26.474 0.000 0.000) 26.474 7.287 ( -13.372 0.000 0.000) 13.372 7.451 ( 12.445 0.000 0.000) 12.445 7.530 ( 0.903 0.000 0.000) 0.903 7.619 ( -11.940 0.000 0.000) 11.940 7.641 ( -7.932 0.000 0.000) 7.932 8.432 ( 18.169 0.000 0.000) 18.169 8.721 ( -9.333 0.000 0.000) 9.333 8.764 ( 6.899 0.000 0.000) 6.899 8.817 ( 1.034 0.000 0.000) 1.034 8.954 ( -1.305 0.000 0.000) 1.305 9.096 ( -15.672 0.000 0.000) 15.672 9.833 ( 1.303 0.000 0.000) 1.303 9.985 ( -10.907 0.000 0.000) 10.907 10.222 ( 14.669 0.000 0.000) 14.669 10.374 ( 4.031 0.000 0.000) 4.031 10.427 ( -5.684 0.000 0.000) 5.684 10.452 ( -2.652 0.000 0.000) 2.652 10.979 ( 7.544 0.000 0.000) 7.544 11.111 ( -4.924 0.000 0.000) 4.924 11.468 ( 15.510 0.000 0.000) 15.510 11.688 ( -3.738 0.000 0.000) 3.738 11.754 ( -9.848 0.000 0.000) 9.848 11.766 ( -15.311 0.000 0.000) 15.311 11.966 ( 10.809 0.000 0.000) 10.809 12.208 ( -13.125 0.000 0.000) 13.125 13.921 ( 6.469 0.000 0.000) 6.469 13.992 ( 1.403 0.000 0.000) 1.403 14.111 ( -0.364 0.000 0.000) 0.364 14.155 ( -1.699 0.000 0.000) 1.699 14.266 ( -1.765 0.000 0.000) 1.765 14.273 ( -1.643 0.000 0.000) 1.643 14.421 ( 10.710 0.000 0.000) 10.710 14.504 ( 2.489 0.000 0.000) 2.489 14.748 ( 9.769 0.000 0.000) 9.769 14.809 ( 0.875 0.000 0.000) 0.875 15.071 ( -8.475 0.000 0.000) 8.475 15.082 ( -6.604 0.000 0.000) 6.604 19.119 ( 17.683 0.000 0.000) 17.683 19.284 ( 0.306 0.000 0.000) 0.306 19.300 ( -1.378 0.000 0.000) 1.378 19.426 ( -13.872 0.000 0.000) 13.872 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.000 35.946 0.000) 35.946 0.835 ( 0.000 39.210 0.000) 39.210 1.384 ( 0.000 61.421 0.000) 61.421 2.697 ( 0.000 -1.843 0.000) 1.843 3.074 ( 0.000 -7.171 0.000) 7.171 3.217 ( 0.000 -11.555 0.000) 11.555 3.420 ( 0.000 -5.056 0.000) 5.056 3.480 ( 0.000 6.329 0.000) 6.329 3.733 ( 0.000 -6.005 0.000) 6.005 3.750 ( 0.000 -1.989 0.000) 1.989 4.175 ( 0.000 4.771 0.000) 4.771 4.588 ( 0.000 -9.093 0.000) 9.093 5.002 ( 0.000 2.192 0.000) 2.192 5.038 ( 0.000 0.025 0.000) 0.025 5.470 ( 0.000 2.334 0.000) 2.334 5.784 ( 0.000 -4.030 0.000) 4.030 5.858 ( 0.000 11.877 0.000) 11.877 6.004 ( 0.000 4.416 0.000) 4.416 6.708 ( 0.000 -5.947 0.000) 5.947 6.940 ( 0.000 22.860 0.000) 22.860 6.962 ( 0.000 -3.634 0.000) 3.634 7.329 ( 0.000 0.443 0.000) 0.443 7.909 ( 0.000 9.465 0.000) 9.465 8.094 ( 0.000 -8.458 0.000) 8.458 8.248 ( 0.000 3.354 0.000) 3.354 8.285 ( 0.000 -9.175 0.000) 9.175 8.825 ( 0.000 10.481 0.000) 10.481 8.942 ( 0.000 -8.436 0.000) 8.436 9.272 ( 0.000 1.873 0.000) 1.873 9.527 ( 0.000 -5.230 0.000) 5.230 9.580 ( 0.000 4.598 0.000) 4.598 9.715 ( 0.000 -9.363 0.000) 9.363 9.992 ( 0.000 -1.304 0.000) 1.304 10.357 ( 0.000 1.808 0.000) 1.808 10.453 ( 0.000 0.947 0.000) 0.947 10.827 ( 0.000 4.816 0.000) 4.816 10.920 ( 0.000 2.935 0.000) 2.935 10.951 ( 0.000 -10.602 0.000) 10.602 11.222 ( 0.000 -4.390 0.000) 4.390 11.691 ( 0.000 -8.693 0.000) 8.693 12.478 ( 0.000 -0.271 0.000) 0.271 12.690 ( 0.000 4.134 0.000) 4.134 12.704 ( 0.000 -6.609 0.000) 6.609 12.781 ( 0.000 0.241 0.000) 0.241 13.396 ( 0.000 19.526 0.000) 19.526 13.471 ( 0.000 7.429 0.000) 7.429 13.611 ( 0.000 3.125 0.000) 3.125 13.775 ( 0.000 3.043 0.000) 3.043 14.149 ( 0.000 -3.292 0.000) 3.292 14.180 ( 0.000 0.969 0.000) 0.969 14.379 ( 0.000 1.820 0.000) 1.820 14.405 ( 0.000 2.292 0.000) 2.292 14.536 ( 0.000 -0.717 0.000) 0.717 14.785 ( 0.000 -6.032 0.000) 6.032 15.026 ( 0.000 -4.742 0.000) 4.742 15.541 ( 0.000 -16.990 0.000) 16.990 18.246 ( 0.000 8.489 0.000) 8.489 18.945 ( 0.000 -3.318 0.000) 3.318 19.338 ( 0.000 1.739 0.000) 1.739 19.772 ( 0.000 -4.516 0.000) 4.516 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 21.556 24.180 0.000) 32.394 1.060 ( 22.124 25.966 0.000) 34.113 1.865 ( 40.024 43.694 0.000) 59.254 2.704 ( 0.768 -3.900 0.000) 3.975 3.032 ( -4.145 -6.828 0.000) 7.988 3.183 ( -3.356 -13.577 0.000) 13.986 3.382 ( -3.089 -3.930 0.000) 4.998 3.510 ( 1.936 4.111 0.000) 4.544 3.673 ( -7.393 -1.263 0.000) 7.500 3.717 ( -1.479 -5.965 0.000) 6.145 4.055 ( -11.473 7.697 0.000) 13.815 4.482 ( -10.444 -7.671 0.000) 12.958 5.060 ( 5.678 3.229 0.000) 6.532 5.108 ( -12.345 29.248 0.000) 31.746 5.158 ( 11.651 -0.411 0.000) 11.659 5.542 ( -5.733 5.504 0.000) 7.948 6.122 ( 15.579 -12.313 0.000) 19.857 6.286 ( 12.319 0.641 0.000) 12.336 6.631 ( -4.884 -6.003 0.000) 7.738 6.924 ( -1.969 22.433 0.000) 22.520 7.161 ( 11.280 -7.958 0.000) 13.805 7.379 ( 4.840 -0.367 0.000) 4.854 7.783 ( -8.208 8.036 0.000) 11.487 8.181 ( 3.568 -2.951 0.000) 4.630 8.240 ( -4.038 -11.566 0.000) 12.251 8.342 ( 5.829 -2.857 0.000) 6.491 8.787 ( -2.540 10.619 0.000) 10.918 8.969 ( 1.913 -6.795 0.000) 7.059 9.192 ( -3.389 15.506 0.000) 15.872 9.519 ( 1.396 -5.028 0.000) 5.219 9.689 ( 7.964 2.230 0.000) 8.270 9.875 ( 12.413 -5.662 0.000) 13.643 9.976 ( -1.746 1.306 0.000) 2.181 10.301 ( -1.217 -0.363 0.000) 1.270 10.496 ( -3.703 -7.607 0.000) 8.460 10.856 ( -6.067 1.913 0.000) 6.361 10.888 ( 4.942 2.054 0.000) 5.352 10.982 ( 2.321 -10.008 0.000) 10.273 11.137 ( -7.251 -1.971 0.000) 7.515 11.619 ( -5.659 -7.432 0.000) 9.342 12.274 ( -10.569 8.391 0.000) 13.495 12.576 ( -9.955 3.164 0.000) 10.446 12.721 ( -2.665 -5.060 0.000) 5.719 12.739 ( -7.011 -0.893 0.000) 7.067 13.515 ( 4.036 4.898 0.000) 6.346 13.611 ( 15.571 10.831 0.000) 18.967 13.683 ( 8.584 6.045 0.000) 10.499 13.781 ( 1.646 3.563 0.000) 3.925 14.169 ( 1.181 -4.156 0.000) 4.321 14.177 ( -0.256 1.563 0.000) 1.584 14.369 ( -0.793 1.810 0.000) 1.976 14.403 ( -0.388 2.202 0.000) 2.236 14.548 ( 0.861 -0.692 0.000) 1.104 14.804 ( 1.215 -5.921 0.000) 6.044 15.040 ( 1.765 -5.428 0.000) 5.708 15.480 ( -4.780 -14.419 0.000) 15.191 18.307 ( 6.604 7.232 0.000) 9.794 19.123 ( 9.367 -14.700 0.000) 17.431 19.333 ( -0.587 1.735 0.000) 1.832 19.762 ( -1.199 -4.450 0.000) 4.609 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 24.789 10.567 0.000) 26.947 1.564 ( 27.872 7.834 0.000) 28.952 2.593 ( 28.557 25.094 0.000) 38.016 2.727 ( 1.555 -7.729 0.000) 7.884 2.933 ( -5.874 -5.714 0.000) 8.195 3.119 ( -1.174 -16.577 0.000) 16.619 3.313 ( -4.188 -4.511 0.000) 6.155 3.469 ( -9.422 -3.907 0.000) 10.200 3.563 ( -0.018 5.496 0.000) 5.496 3.683 ( -1.917 -5.697 0.000) 6.011 3.810 ( -11.464 12.698 0.000) 17.107 4.214 ( -16.697 -4.780 0.000) 17.368 5.037 ( 1.314 22.907 0.000) 22.945 5.192 ( 7.247 6.766 0.000) 9.915 5.451 ( 17.930 -1.000 0.000) 17.958 5.618 ( 11.879 3.324 0.000) 12.335 6.227 ( 3.350 -4.618 0.000) 5.705 6.522 ( -2.290 -6.588 0.000) 6.974 6.722 ( 23.523 -1.404 0.000) 23.565 6.849 ( -6.211 19.386 0.000) 20.356 7.330 ( 6.907 -7.981 0.000) 10.555 7.457 ( 0.391 -1.494 0.000) 1.545 7.706 ( 2.587 9.062 0.000) 9.424 8.107 ( -6.276 -2.678 0.000) 6.823 8.205 ( -3.282 -2.747 0.000) 4.280 8.433 ( 4.055 -3.582 0.000) 5.410 8.763 ( -0.172 4.395 0.000) 4.399 8.980 ( -1.278 -2.118 0.000) 2.474 9.170 ( 0.214 20.018 0.000) 20.019 9.606 ( 7.915 -4.925 0.000) 9.322 9.729 ( -7.928 -3.741 0.000) 8.767 9.998 ( 6.700 8.847 0.000) 11.097 10.104 ( 6.381 0.298 0.000) 6.388 10.298 ( 0.016 -6.480 0.000) 6.480 10.370 ( -3.158 -5.465 0.000) 6.312 10.695 ( -10.119 3.107 0.000) 10.585 10.917 ( -3.531 0.348 0.000) 3.548 11.020 ( 1.211 -11.521 0.000) 11.585 11.071 ( 3.660 1.725 0.000) 4.046 11.561 ( 1.195 -6.156 0.000) 6.271 12.084 ( -10.546 4.341 0.000) 11.404 12.347 ( -13.399 2.476 0.000) 13.625 12.487 ( -18.064 -1.038 0.000) 18.094 12.611 ( -8.306 -3.430 0.000) 8.986 13.632 ( 7.750 2.368 0.000) 8.104 13.800 ( 4.300 1.348 0.000) 4.506 13.913 ( 13.869 6.191 0.000) 15.188 13.977 ( 17.970 8.568 0.000) 19.908 14.178 ( 0.677 3.149 0.000) 3.221 14.182 ( 0.423 -2.005 0.000) 2.050 14.349 ( -1.325 1.441 0.000) 1.958 14.383 ( -1.798 1.547 0.000) 2.372 14.565 ( 1.075 -0.860 0.000) 1.376 14.804 ( -1.246 -5.116 0.000) 5.266 15.089 ( 2.599 -6.504 0.000) 7.005 15.369 ( -7.067 -11.379 0.000) 13.395 18.497 ( 12.880 4.494 0.000) 13.641 19.223 ( 2.288 -11.914 0.000) 12.132 19.316 ( -1.085 1.538 0.000) 1.882 19.717 ( -3.836 -4.192 0.000) 5.682 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 21.027 1.198 0.000) 21.061 2.074 ( 24.432 -3.719 0.000) 24.714 2.748 ( -9.075 -4.687 0.000) 10.214 2.754 ( 0.876 -9.212 0.000) 9.253 2.888 ( 4.196 1.798 0.000) 4.565 3.152 ( -0.529 -1.132 0.000) 1.250 3.200 ( -8.081 -5.731 0.000) 9.907 3.301 ( -6.262 -1.178 0.000) 6.372 3.569 ( 0.057 -0.186 0.000) 0.195 3.644 ( -2.061 -6.396 0.000) 6.720 3.693 ( -1.703 8.748 0.000) 8.913 3.883 ( -16.302 -0.901 0.000) 16.327 5.117 ( 6.668 20.957 0.000) 21.992 5.306 ( 4.000 12.872 0.000) 13.479 5.810 ( 18.530 -2.022 0.000) 18.640 5.900 ( 15.388 5.026 0.000) 16.188 6.399 ( 12.170 0.207 0.000) 12.171 6.474 ( 1.962 -4.884 0.000) 5.264 6.683 ( -10.815 13.513 0.000) 17.308 7.151 ( 17.589 -2.445 0.000) 17.758 7.400 ( -4.359 -0.967 0.000) 4.465 7.463 ( 8.777 -3.409 0.000) 9.416 7.760 ( -3.799 4.908 0.000) 6.206 8.023 ( -5.606 7.605 0.000) 9.448 8.164 ( 6.585 1.076 0.000) 6.672 8.513 ( 4.523 -3.966 0.000) 6.015 8.766 ( 0.437 -1.862 0.000) 1.912 8.919 ( -4.683 -0.572 0.000) 4.718 9.168 ( -1.318 18.658 0.000) 18.704 9.457 ( -17.530 0.443 0.000) 17.536 9.817 ( 12.983 -7.170 0.000) 14.831 9.965 ( -12.137 -0.020 0.000) 12.137 10.111 ( 0.717 3.247 0.000) 3.326 10.326 ( -0.068 -7.471 0.000) 7.471 10.496 ( 10.480 1.009 0.000) 10.529 10.526 ( -4.378 9.076 0.000) 10.077 10.858 ( -0.966 -1.438 0.000) 1.733 11.028 ( -0.391 -12.140 0.000) 12.146 11.225 ( 11.360 1.248 0.000) 11.429 11.670 ( 9.256 -5.659 0.000) 10.849 11.866 ( -11.396 2.461 0.000) 11.659 12.070 ( -15.782 1.279 0.000) 15.834 12.113 ( -18.721 0.923 0.000) 18.743 12.413 ( -12.074 -3.536 0.000) 12.581 13.788 ( 8.082 1.409 0.000) 8.204 13.894 ( 5.574 -0.013 0.000) 5.574 14.125 ( 4.487 -0.936 0.000) 4.584 14.142 ( -1.364 -1.999 0.000) 2.420 14.254 ( 9.777 7.859 0.000) 12.544 14.318 ( -1.881 1.260 0.000) 2.264 14.336 ( -2.521 1.265 0.000) 2.821 14.354 ( 16.075 6.491 0.000) 17.336 14.597 ( 2.940 -1.433 0.000) 3.270 14.772 ( -1.581 -4.558 0.000) 4.824 15.109 ( -1.110 -5.923 0.000) 6.026 15.207 ( -9.547 -7.291 0.000) 12.012 18.786 ( 16.620 1.627 0.000) 16.699 19.245 ( 0.498 -7.593 0.000) 7.609 19.293 ( -1.293 0.712 0.000) 1.476 19.603 ( -8.185 -3.592 0.000) 8.939 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 15.048 -5.904 0.000) 16.165 2.452 ( 7.302 -11.139 0.000) 13.319 2.568 ( -1.390 -5.716 0.000) 5.883 2.731 ( -4.886 -8.261 0.000) 9.598 2.980 ( 3.686 -2.046 0.000) 4.216 3.045 ( -6.284 -3.088 0.000) 7.002 3.108 ( 0.114 5.520 0.000) 5.522 3.194 ( -5.938 -0.101 0.000) 5.939 3.576 ( 1.273 -7.046 0.000) 7.160 3.610 ( -1.191 -5.710 0.000) 5.833 3.642 ( -3.729 0.635 0.000) 3.783 3.655 ( -6.222 3.316 0.000) 7.051 5.251 ( 6.214 22.330 0.000) 23.179 5.330 ( -1.616 19.373 0.000) 19.440 6.130 ( 14.122 -3.610 0.000) 14.576 6.181 ( 13.874 4.794 0.000) 14.679 6.345 ( -7.523 -4.261 0.000) 8.646 6.449 ( -13.162 8.151 0.000) 15.481 6.894 ( 27.695 4.446 0.000) 28.050 7.293 ( -9.413 -1.052 0.000) 9.471 7.346 ( 5.531 -6.847 0.000) 8.802 7.527 ( -16.278 0.954 0.000) 16.306 7.693 ( 12.552 9.912 0.000) 15.993 7.885 ( -7.792 14.136 0.000) 16.141 8.425 ( 14.994 -0.749 0.000) 15.013 8.584 ( 0.350 -5.608 0.000) 5.619 8.786 ( 1.649 -3.112 0.000) 3.522 8.826 ( -3.781 -1.171 0.000) 3.959 9.097 ( -4.695 13.205 0.000) 14.015 9.149 ( -11.754 5.146 0.000) 12.831 9.837 ( 0.839 0.400 0.000) 0.930 9.965 ( -8.834 -3.956 0.000) 9.679 10.085 ( 10.598 -5.676 0.000) 12.023 10.265 ( -6.555 -8.652 0.000) 10.855 10.570 ( 5.537 13.503 0.000) 14.594 10.625 ( 1.491 10.359 0.000) 10.466 10.902 ( 5.206 -7.440 0.000) 9.080 10.996 ( -3.330 -10.630 0.000) 11.139 11.482 ( 14.704 0.031 0.000) 14.704 11.704 ( -3.430 2.213 0.000) 4.082 11.761 ( -14.218 -0.707 0.000) 14.235 11.790 ( -9.996 1.976 0.000) 10.189 11.911 ( 9.971 -4.035 0.000) 10.756 12.162 ( -13.687 -4.246 0.000) 14.330 13.929 ( 6.255 0.889 0.000) 6.318 13.987 ( 2.185 -0.358 0.000) 2.214 14.104 ( -0.837 -0.765 0.000) 1.135 14.139 ( -1.827 -1.492 0.000) 2.359 14.280 ( -1.390 1.602 0.000) 2.121 14.284 ( -1.384 1.386 0.000) 1.959 14.469 ( 8.033 3.991 0.000) 8.970 14.527 ( 1.649 1.642 0.000) 2.327 14.731 ( 8.608 -1.242 0.000) 8.697 14.768 ( 1.573 -3.667 0.000) 3.991 15.030 ( -6.936 -3.712 0.000) 7.867 15.041 ( -5.260 -3.807 0.000) 6.493 19.110 ( 16.527 -0.755 0.000) 16.544 19.254 ( 0.575 -3.950 0.000) 3.992 19.270 ( -1.059 -1.107 0.000) 1.532 19.398 ( -13.091 -2.484 0.000) 13.325 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 0.000 32.345 0.000) 32.345 1.614 ( 0.000 35.249 0.000) 35.249 2.401 ( 0.000 30.138 0.000) 30.138 2.536 ( 0.000 -14.971 0.000) 14.971 2.890 ( 0.000 -17.599 0.000) 17.599 2.930 ( 0.000 -5.682 0.000) 5.682 3.370 ( 0.000 1.499 0.000) 1.499 3.562 ( 0.000 -2.074 0.000) 2.074 3.691 ( 0.000 5.979 0.000) 5.979 3.791 ( 0.000 9.167 0.000) 9.167 4.212 ( 0.000 -3.317 0.000) 3.317 4.349 ( 0.000 -13.301 0.000) 13.301 5.032 ( 0.000 0.708 0.000) 0.708 5.038 ( 0.000 0.021 0.000) 0.021 5.530 ( 0.000 3.307 0.000) 3.307 5.693 ( 0.000 -4.483 0.000) 4.483 6.118 ( 0.000 6.620 0.000) 6.620 6.156 ( 0.000 14.983 0.000) 14.983 6.550 ( 0.000 -8.038 0.000) 8.038 6.826 ( 0.000 -9.730 0.000) 9.730 7.353 ( 0.000 8.008 0.000) 8.008 7.570 ( 0.000 27.141 0.000) 27.141 7.829 ( 0.000 -14.470 0.000) 14.470 8.152 ( 0.000 -5.673 0.000) 5.673 8.163 ( 0.000 16.024 0.000) 16.024 8.353 ( 0.000 6.735 0.000) 6.735 8.738 ( 0.000 -10.519 0.000) 10.519 8.961 ( 0.000 -1.416 0.000) 1.416 9.304 ( 0.000 1.545 0.000) 1.545 9.379 ( 0.000 -5.815 0.000) 5.815 9.505 ( 0.000 -9.335 0.000) 9.335 9.585 ( 0.000 -5.271 0.000) 5.271 10.075 ( 0.000 10.174 0.000) 10.174 10.410 ( 0.000 2.870 0.000) 2.870 10.471 ( 0.000 0.448 0.000) 0.448 10.665 ( 0.000 -15.582 0.000) 15.582 10.928 ( 0.000 4.537 0.000) 4.537 11.021 ( 0.000 7.030 0.000) 7.030 11.117 ( 0.000 -5.226 0.000) 5.226 11.466 ( 0.000 -12.172 0.000) 12.172 12.479 ( 0.000 0.562 0.000) 0.562 12.585 ( 0.000 -4.729 0.000) 4.729 12.763 ( 0.000 2.361 0.000) 2.361 12.787 ( 0.000 0.267 0.000) 0.267 13.652 ( 0.000 8.662 0.000) 8.662 13.711 ( 0.000 5.677 0.000) 5.677 13.833 ( 0.000 10.606 0.000) 10.606 13.908 ( 0.000 20.386 0.000) 20.386 14.063 ( 0.000 -4.752 0.000) 4.752 14.210 ( 0.000 2.271 0.000) 2.271 14.419 ( 0.000 1.788 0.000) 1.788 14.440 ( 0.000 -1.492 0.000) 1.492 14.516 ( 0.000 -1.055 0.000) 1.055 14.654 ( 0.000 -3.301 0.000) 3.301 14.890 ( 0.000 -7.890 0.000) 7.890 15.079 ( 0.000 -25.972 0.000) 25.972 18.458 ( 0.000 10.917 0.000) 10.917 18.842 ( 0.000 -6.569 0.000) 6.569 19.398 ( 0.000 4.048 0.000) 4.048 19.649 ( 0.000 -6.867 0.000) 6.867 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 8.202 27.465 0.000) 28.664 1.677 ( 6.569 30.669 0.000) 31.365 2.519 ( -1.441 -14.733 0.000) 14.804 2.601 ( 16.792 15.479 0.000) 22.838 2.850 ( -3.345 -13.377 0.000) 13.789 2.910 ( -2.316 -4.288 0.000) 4.873 3.323 ( -4.295 0.233 0.000) 4.301 3.509 ( -5.818 -4.832 0.000) 7.563 3.698 ( 1.055 8.442 0.000) 8.508 3.775 ( -1.363 10.756 0.000) 10.842 4.158 ( -5.789 0.222 0.000) 5.793 4.281 ( -7.029 -11.267 0.000) 13.280 5.113 ( 8.051 1.714 0.000) 8.232 5.148 ( 10.851 -0.514 0.000) 10.863 5.494 ( 3.159 9.135 0.000) 9.666 5.724 ( -10.102 5.029 0.000) 11.284 5.970 ( 7.754 3.455 0.000) 8.489 6.343 ( 7.391 2.918 0.000) 7.947 6.489 ( -2.251 -5.085 0.000) 5.561 6.947 ( 8.352 -12.988 0.000) 15.442 7.395 ( 3.357 9.185 0.000) 9.779 7.500 ( -6.583 18.874 0.000) 19.989 7.869 ( 3.746 -2.925 0.000) 4.752 8.062 ( -5.053 -0.786 0.000) 5.114 8.202 ( 0.773 7.047 0.000) 7.089 8.390 ( 3.379 5.847 0.000) 6.753 8.775 ( 3.217 -10.694 0.000) 11.167 8.908 ( -5.031 -2.444 0.000) 5.593 9.407 ( 3.364 -3.332 0.000) 4.735 9.409 ( 9.851 7.100 0.000) 12.143 9.634 ( 3.332 -6.959 0.000) 7.715 9.704 ( 17.606 -8.932 0.000) 19.743 10.111 ( 3.536 10.895 0.000) 11.454 10.333 ( -6.520 2.727 0.000) 7.067 10.415 ( -6.184 -1.688 0.000) 6.410 10.682 ( 1.325 -15.380 0.000) 15.437 10.950 ( 1.612 2.969 0.000) 3.379 10.966 ( -5.530 6.900 0.000) 8.843 11.074 ( -3.684 -3.485 0.000) 5.071 11.414 ( -4.220 -11.663 0.000) 12.403 12.386 ( -7.932 3.845 0.000) 8.815 12.591 ( -1.453 -6.456 0.000) 6.617 12.641 ( -10.438 2.668 0.000) 10.774 12.716 ( -8.864 -1.310 0.000) 8.960 13.661 ( 2.148 8.519 0.000) 8.786 13.814 ( 8.798 4.728 0.000) 9.988 13.841 ( 0.431 5.876 0.000) 5.892 13.974 ( 5.624 13.028 0.000) 14.190 14.104 ( 5.216 3.242 0.000) 6.142 14.228 ( 2.033 3.874 0.000) 4.375 14.416 ( -0.428 2.374 0.000) 2.412 14.459 ( 0.978 1.543 0.000) 1.827 14.523 ( 0.576 -1.490 0.000) 1.598 14.656 ( 0.468 -5.902 0.000) 5.921 14.887 ( 0.007 -8.796 0.000) 8.796 15.070 ( -0.742 -23.583 0.000) 23.595 18.494 ( 4.044 9.939 0.000) 10.730 18.890 ( 4.267 -9.242 0.000) 10.179 19.392 ( -0.658 4.024 0.000) 4.077 19.640 ( -1.003 -6.778 0.000) 6.852 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 11.711 16.794 0.000) 20.474 1.856 ( 11.500 18.647 0.000) 21.908 2.493 ( -0.988 -14.696 0.000) 14.729 2.711 ( -5.587 -18.895 0.000) 19.704 2.850 ( -3.009 -2.003 0.000) 3.614 2.943 ( 10.392 1.473 0.000) 10.496 3.225 ( -5.603 -2.060 0.000) 5.969 3.357 ( -8.777 -6.023 0.000) 10.645 3.729 ( 0.906 12.162 0.000) 12.196 3.734 ( -3.225 9.547 0.000) 10.077 4.007 ( -8.754 5.125 0.000) 10.144 4.092 ( -11.982 -6.824 0.000) 13.789 5.315 ( 12.081 4.512 0.000) 12.896 5.423 ( 16.836 -1.580 0.000) 16.910 5.555 ( -0.803 23.409 0.000) 23.423 5.728 ( 16.235 7.255 0.000) 17.783 6.162 ( 10.571 -2.050 0.000) 10.768 6.362 ( -2.249 -8.471 0.000) 8.764 6.674 ( 18.998 -0.934 0.000) 19.021 7.094 ( 7.719 -14.280 0.000) 16.233 7.289 ( -12.635 17.330 0.000) 21.447 7.459 ( -1.368 1.209 0.000) 1.826 7.944 ( 4.658 12.662 0.000) 13.492 8.048 ( 4.738 -1.805 0.000) 5.070 8.186 ( -2.410 3.757 0.000) 4.464 8.464 ( 3.867 5.404 0.000) 6.645 8.793 ( -6.318 -4.046 0.000) 7.502 8.831 ( 1.880 -9.566 0.000) 9.749 9.510 ( 6.898 -2.790 0.000) 7.441 9.597 ( 7.054 18.235 0.000) 19.552 9.643 ( -3.685 -4.997 0.000) 6.209 10.072 ( 18.410 -5.034 0.000) 19.085 10.187 ( -9.543 -1.951 0.000) 9.740 10.187 ( 3.142 9.071 0.000) 9.599 10.270 ( -5.465 -4.055 0.000) 6.805 10.700 ( 0.507 -15.527 0.000) 15.536 10.835 ( -6.696 8.765 0.000) 11.030 10.937 ( -3.687 1.319 0.000) 3.916 11.050 ( 3.034 -3.044 0.000) 4.298 11.372 ( 1.339 -11.819 0.000) 11.894 12.198 ( -11.285 6.449 0.000) 12.998 12.399 ( -14.241 2.235 0.000) 14.415 12.463 ( -16.362 -1.141 0.000) 16.401 12.502 ( -7.732 -6.783 0.000) 10.286 13.740 ( 5.646 7.650 0.000) 9.508 13.860 ( 1.862 4.062 0.000) 4.469 13.988 ( 7.855 -0.224 0.000) 7.858 14.051 ( 2.313 -3.499 0.000) 4.194 14.289 ( 12.579 14.246 0.000) 19.005 14.299 ( 5.692 7.923 0.000) 9.755 14.400 ( -1.180 3.129 0.000) 3.344 14.447 ( -2.151 4.993 0.000) 5.437 14.533 ( 0.506 -2.098 0.000) 2.158 14.664 ( -0.216 -7.416 0.000) 7.419 14.904 ( 1.868 -10.725 0.000) 10.886 15.052 ( -1.343 -18.056 0.000) 18.106 18.621 ( 9.127 7.067 0.000) 11.544 18.979 ( 4.737 -10.641 0.000) 11.648 19.370 ( -1.705 3.693 0.000) 4.067 19.602 ( -3.248 -6.378 0.000) 7.157 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 10.483 5.826 0.000) 11.994 2.093 ( 12.406 5.677 0.000) 13.643 2.487 ( 0.262 -15.314 0.000) 15.316 2.568 ( -8.687 -11.478 0.000) 14.395 2.839 ( 2.420 -2.903 0.000) 3.779 3.043 ( 0.906 -10.251 0.000) 10.291 3.108 ( -6.359 -2.116 0.000) 6.702 3.214 ( -5.839 -5.508 0.000) 8.027 3.650 ( -5.116 6.384 0.000) 8.181 3.679 ( -5.477 9.293 0.000) 10.787 3.854 ( -7.441 4.337 0.000) 8.613 3.855 ( -11.473 -2.237 0.000) 11.689 5.542 ( 10.721 8.710 0.000) 13.813 5.629 ( 6.589 24.661 0.000) 25.526 5.755 ( 16.776 -3.146 0.000) 17.068 6.056 ( 15.095 8.969 0.000) 17.559 6.313 ( -0.893 -5.997 0.000) 6.063 6.486 ( 22.929 3.036 0.000) 23.129 7.009 ( -15.937 14.872 0.000) 21.798 7.025 ( 13.499 -6.259 0.000) 14.880 7.336 ( 20.418 -9.890 0.000) 22.687 7.355 ( -7.984 -3.571 0.000) 8.746 7.995 ( -7.624 16.937 0.000) 18.574 8.166 ( 9.468 5.070 0.000) 10.740 8.195 ( 5.213 2.332 0.000) 5.711 8.527 ( 2.543 4.637 0.000) 5.289 8.687 ( -3.788 -6.682 0.000) 7.681 8.829 ( -2.189 -6.706 0.000) 7.054 9.477 ( -11.345 1.707 0.000) 11.473 9.605 ( -6.691 20.130 0.000) 21.213 9.662 ( 7.415 -7.222 0.000) 10.351 9.963 ( -10.861 -0.449 0.000) 10.870 10.178 ( -4.245 4.447 0.000) 6.148 10.187 ( -1.071 -4.109 0.000) 4.246 10.455 ( 16.273 -6.358 0.000) 17.471 10.689 ( -1.402 -16.709 0.000) 16.767 10.804 ( 4.379 14.650 0.000) 15.291 10.868 ( -2.433 3.692 0.000) 4.421 11.175 ( 9.818 -6.161 0.000) 11.591 11.476 ( 8.659 -12.850 0.000) 15.495 11.970 ( -11.748 7.337 0.000) 13.851 12.100 ( -16.721 1.761 0.000) 16.814 12.139 ( -16.042 0.869 0.000) 16.066 12.305 ( -12.365 -6.726 0.000) 14.076 13.859 ( 6.230 5.351 0.000) 8.212 13.916 ( 3.857 2.308 0.000) 4.495 14.076 ( 0.422 -4.112 0.000) 4.133 14.086 ( 2.492 -3.169 0.000) 4.031 14.371 ( -1.703 3.663 0.000) 4.039 14.382 ( -2.237 3.354 0.000) 4.032 14.452 ( 7.080 9.852 0.000) 12.132 14.502 ( 4.970 3.788 0.000) 6.248 14.574 ( 7.387 2.807 0.000) 7.902 14.650 ( -0.331 -6.019 0.000) 6.029 14.940 ( 1.165 -9.848 0.000) 9.916 15.007 ( -3.459 -11.243 0.000) 11.763 18.836 ( 12.901 3.286 0.000) 13.313 19.071 ( 4.807 -8.159 0.000) 9.470 19.324 ( -3.077 2.462 0.000) 3.941 19.506 ( -6.925 -5.351 0.000) 8.751 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 8.227 -2.212 0.000) 8.519 2.267 ( 1.418 -4.953 0.000) 5.152 2.436 ( -1.179 -7.368 0.000) 7.462 2.483 ( -1.586 -14.140 0.000) 14.228 2.921 ( 4.895 -2.727 0.000) 5.603 3.003 ( -4.369 -0.779 0.000) 4.438 3.041 ( 0.785 -8.869 0.000) 8.903 3.110 ( -5.377 -5.833 0.000) 7.933 3.570 ( -2.174 4.673 0.000) 5.154 3.583 ( -3.387 5.861 0.000) 6.769 3.701 ( -3.663 0.560 0.000) 3.706 3.722 ( -5.213 2.053 0.000) 5.603 5.698 ( 5.007 13.874 0.000) 14.750 5.725 ( 2.200 19.671 0.000) 19.793 6.037 ( 11.957 -5.180 0.000) 13.031 6.196 ( -3.684 -6.087 0.000) 7.115 6.397 ( 13.335 12.361 0.000) 18.183 6.695 ( -16.456 14.269 0.000) 21.781 6.956 ( 19.448 -4.600 0.000) 19.984 7.192 ( -8.876 -8.005 0.000) 11.952 7.278 ( 18.198 6.474 0.000) 19.316 7.704 ( -21.104 14.458 0.000) 25.581 7.791 ( 23.124 -3.170 0.000) 23.340 8.134 ( -11.063 5.946 0.000) 12.559 8.414 ( 11.172 1.651 0.000) 11.293 8.543 ( -1.937 2.438 0.000) 3.114 8.691 ( 3.525 -5.834 0.000) 6.816 8.762 ( -3.917 -4.423 0.000) 5.908 9.301 ( -3.547 9.052 0.000) 9.723 9.398 ( -11.533 14.038 0.000) 18.167 9.768 ( 3.046 -12.154 0.000) 12.530 9.820 ( -4.119 -4.171 0.000) 5.862 10.107 ( -0.657 6.309 0.000) 6.343 10.147 ( -3.077 1.011 0.000) 3.239 10.663 ( 3.890 -14.041 0.000) 14.570 10.681 ( 0.157 -16.191 0.000) 16.192 10.889 ( 4.526 13.660 0.000) 14.390 10.910 ( 3.890 16.433 0.000) 16.887 11.410 ( 13.660 -7.441 0.000) 15.555 11.612 ( -1.213 -13.073 0.000) 13.129 11.794 ( -4.677 5.849 0.000) 7.489 11.842 ( -7.145 2.723 0.000) 7.646 11.887 ( -5.173 0.765 0.000) 5.229 12.049 ( -13.469 -6.056 0.000) 14.768 13.963 ( 4.212 2.486 0.000) 4.891 13.988 ( 2.431 0.702 0.000) 2.530 14.072 ( -0.195 -2.247 0.000) 2.255 14.095 ( -1.325 -2.719 0.000) 3.024 14.340 ( -1.195 4.224 0.000) 4.389 14.341 ( -1.097 4.126 0.000) 4.269 14.530 ( 0.621 -2.306 0.000) 2.388 14.536 ( 0.707 -0.095 0.000) 0.713 14.703 ( 5.419 0.071 0.000) 5.420 14.732 ( 4.964 2.267 0.000) 5.458 14.931 ( -3.262 -5.455 0.000) 6.355 14.933 ( -1.761 -6.266 0.000) 6.509 19.095 ( 13.478 -0.423 0.000) 13.484 19.164 ( 4.846 -4.024 0.000) 6.299 19.253 ( -4.281 -0.148 0.000) 4.284 19.334 ( -10.950 -3.394 0.000) 11.464 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 0.000 -26.199 0.000) 26.199 2.095 ( 0.000 26.199 0.000) 26.199 2.280 ( 0.000 -27.728 0.000) 27.728 2.280 ( 0.000 27.728 0.000) 27.728 2.837 ( 0.000 -4.573 0.000) 4.573 2.837 ( 0.000 4.573 0.000) 4.573 3.459 ( 0.000 -5.858 0.000) 5.858 3.459 ( 0.000 5.858 0.000) 5.858 3.991 ( 0.000 -16.992 0.000) 16.992 3.991 ( 0.000 16.992 0.000) 16.992 4.056 ( 0.000 -14.339 0.000) 14.339 4.056 ( 0.000 14.339 0.000) 14.339 5.038 ( 0.000 -0.053 0.000) 0.053 5.038 ( 0.000 0.053 0.000) 0.053 5.605 ( 0.000 -3.873 0.000) 3.873 5.605 ( 0.000 3.873 0.000) 3.873 6.270 ( 0.000 -6.519 0.000) 6.519 6.270 ( 0.000 6.519 0.000) 6.519 6.574 ( 0.000 -12.563 0.000) 12.563 6.574 ( 0.000 12.563 0.000) 12.563 7.549 ( 0.000 -11.738 0.000) 11.738 7.549 ( 0.000 11.738 0.000) 11.738 7.988 ( 0.000 -11.780 0.000) 11.780 7.988 ( 0.000 11.780 0.000) 11.780 8.525 ( 0.000 -9.548 0.000) 9.548 8.525 ( 0.000 9.548 0.000) 9.548 8.629 ( 0.000 -25.609 0.000) 25.609 8.629 ( 0.000 25.609 0.000) 25.609 9.360 ( 0.000 -4.470 0.000) 4.470 9.360 ( 0.000 4.470 0.000) 4.470 9.429 ( 0.000 -7.758 0.000) 7.758 9.429 ( 0.000 7.758 0.000) 7.758 10.346 ( 0.000 -14.609 0.000) 14.609 10.346 ( 0.000 14.609 0.000) 14.609 10.460 ( 0.000 -1.613 0.000) 1.613 10.460 ( 0.000 1.613 0.000) 1.613 11.017 ( 0.000 -4.302 0.000) 4.302 11.017 ( 0.000 4.302 0.000) 4.302 11.214 ( 0.000 -11.267 0.000) 11.267 11.214 ( 0.000 11.267 0.000) 11.267 12.509 ( 0.000 -2.509 0.000) 2.509 12.509 ( 0.000 2.509 0.000) 2.509 12.788 ( 0.000 -0.343 0.000) 0.343 12.788 ( 0.000 0.343 0.000) 0.343 13.772 ( 0.000 -1.514 0.000) 1.514 13.772 ( 0.000 1.514 0.000) 1.514 13.957 ( 0.000 -5.323 0.000) 5.323 13.957 ( 0.000 5.323 0.000) 5.323 14.308 ( 0.000 -7.481 0.000) 7.481 14.308 ( 0.000 7.481 0.000) 7.481 14.403 ( 0.000 -11.929 0.000) 11.929 14.403 ( 0.000 11.929 0.000) 11.929 14.554 ( 0.000 -14.977 0.000) 14.977 14.554 ( 0.000 14.977 0.000) 14.977 14.722 ( 0.000 -7.341 0.000) 7.341 14.722 ( 0.000 7.341 0.000) 7.341 18.674 ( 0.000 -9.444 0.000) 9.444 18.674 ( 0.000 9.444 0.000) 9.444 19.507 ( 0.000 -6.326 0.000) 6.326 19.507 ( 0.000 6.326 0.000) 6.326 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 1.204 -23.887 0.000) 23.917 2.106 ( 1.204 23.887 0.000) 23.917 2.281 ( -0.040 -26.557 0.000) 26.557 2.281 ( -0.040 26.557 0.000) 26.557 2.861 ( 1.733 -1.524 0.000) 2.308 2.861 ( 1.733 1.524 0.000) 2.308 3.391 ( -6.422 -5.418 0.000) 8.402 3.391 ( -6.422 5.418 0.000) 8.402 4.008 ( 1.024 -14.559 0.000) 14.595 4.008 ( 1.024 14.559 0.000) 14.595 4.028 ( -3.151 -12.656 0.000) 13.042 4.028 ( -3.151 12.656 0.000) 13.042 5.136 ( 9.749 -0.701 0.000) 9.774 5.136 ( 9.749 0.701 0.000) 9.774 5.644 ( 5.313 -6.663 0.000) 8.522 5.644 ( 5.313 6.663 0.000) 8.522 6.206 ( -4.142 -12.018 0.000) 12.712 6.206 ( -4.142 12.018 0.000) 12.712 6.642 ( 5.790 -14.698 0.000) 15.798 6.642 ( 5.790 14.698 0.000) 15.798 7.558 ( -0.461 -8.051 0.000) 8.064 7.558 ( -0.461 8.051 0.000) 8.064 7.970 ( -0.468 -8.025 0.000) 8.039 7.970 ( -0.468 8.025 0.000) 8.039 8.556 ( 3.078 -9.713 0.000) 10.189 8.556 ( 3.078 9.713 0.000) 10.189 8.598 ( -2.975 -23.800 0.000) 23.986 8.598 ( -2.975 23.800 0.000) 23.986 9.467 ( 3.473 -7.503 0.000) 8.267 9.467 ( 3.473 7.503 0.000) 8.267 9.542 ( 16.896 -6.582 0.000) 18.133 9.542 ( 16.896 6.582 0.000) 18.133 10.373 ( 2.238 -13.773 0.000) 13.953 10.373 ( 2.238 13.773 0.000) 13.953 10.384 ( -7.475 -1.824 0.000) 7.694 10.384 ( -7.475 1.824 0.000) 7.694 11.007 ( -1.120 -2.825 0.000) 3.039 11.007 ( -1.120 2.825 0.000) 3.039 11.163 ( -4.606 -11.576 0.000) 12.459 11.163 ( -4.606 11.576 0.000) 12.459 12.472 ( -4.085 -4.827 0.000) 6.323 12.472 ( -4.085 4.827 0.000) 6.323 12.685 ( -10.034 -1.675 0.000) 10.173 12.685 ( -10.034 1.675 0.000) 10.173 13.816 ( 4.115 -4.747 0.000) 6.282 13.816 ( 4.115 4.747 0.000) 6.282 13.950 ( -0.353 -4.938 0.000) 4.951 13.950 ( -0.353 4.938 0.000) 4.951 14.358 ( 4.753 -8.159 0.000) 9.443 14.358 ( 4.753 8.159 0.000) 9.443 14.440 ( 2.693 -4.786 0.000) 5.491 14.440 ( 2.693 4.786 0.000) 5.491 14.572 ( 2.401 -18.696 0.000) 18.850 14.572 ( 2.401 18.696 0.000) 18.850 14.702 ( -1.847 -7.939 0.000) 8.151 14.702 ( -1.847 7.939 0.000) 8.151 18.699 ( 2.724 -9.485 0.000) 9.869 18.699 ( 2.724 9.485 0.000) 9.869 19.500 ( -0.798 -6.263 0.000) 6.313 19.500 ( -0.798 6.263 0.000) 6.313 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 2.001 -18.431 0.000) 18.539 2.138 ( 2.001 18.431 0.000) 18.539 2.281 ( 0.365 -21.294 0.000) 21.297 2.281 ( 0.365 21.294 0.000) 21.297 2.875 ( -0.430 -4.067 0.000) 4.089 2.875 ( -0.430 4.067 0.000) 4.089 3.248 ( -7.650 -3.807 0.000) 8.545 3.248 ( -7.650 3.807 0.000) 8.545 3.929 ( -6.996 -8.813 0.000) 11.253 3.929 ( -6.996 8.813 0.000) 11.253 3.984 ( -4.468 -7.851 0.000) 9.034 3.984 ( -4.468 7.851 0.000) 9.034 5.384 ( 15.058 -2.387 0.000) 15.246 5.384 ( 15.058 2.387 0.000) 15.246 5.843 ( 14.054 -2.815 0.000) 14.334 5.843 ( 14.054 2.815 0.000) 14.334 6.183 ( 3.333 -7.247 0.000) 7.977 6.183 ( 3.333 7.247 0.000) 7.977 6.789 ( 10.308 -12.393 0.000) 16.119 6.789 ( 10.308 12.393 0.000) 16.119 7.468 ( -9.219 -1.880 0.000) 9.409 7.468 ( -9.219 1.880 0.000) 9.409 8.038 ( 7.861 -1.011 0.000) 7.926 8.038 ( 7.861 1.011 0.000) 7.926 8.524 ( -4.694 -20.682 0.000) 21.208 8.524 ( -4.694 20.682 0.000) 21.208 8.625 ( 3.426 -9.472 0.000) 10.072 8.625 ( 3.426 9.472 0.000) 10.072 9.533 ( 2.486 -4.507 0.000) 5.147 9.533 ( 2.486 4.507 0.000) 5.147 9.903 ( 17.366 -11.100 0.000) 20.611 9.903 ( 17.366 11.100 0.000) 20.611 10.201 ( -10.046 -2.371 0.000) 10.322 10.201 ( -10.046 2.371 0.000) 10.322 10.397 ( -0.726 -12.035 0.000) 12.057 10.397 ( -0.726 12.035 0.000) 12.057 10.980 ( -1.140 -2.989 0.000) 3.199 10.980 ( -1.140 2.989 0.000) 3.199 11.092 ( -1.009 -14.135 0.000) 14.171 11.092 ( -1.009 14.135 0.000) 14.171 12.347 ( -8.849 -7.638 0.000) 11.689 12.347 ( -8.849 7.638 0.000) 11.689 12.437 ( -15.004 -1.448 0.000) 15.073 12.437 ( -15.004 1.448 0.000) 15.073 13.906 ( 4.799 -6.990 0.000) 8.478 13.906 ( 4.799 6.990 0.000) 8.478 13.956 ( 1.028 -4.900 0.000) 5.007 13.956 ( 1.028 4.900 0.000) 5.007 14.456 ( 4.048 -6.645 0.000) 7.781 14.456 ( 4.048 6.645 0.000) 7.781 14.465 ( 0.023 -2.725 0.000) 2.725 14.465 ( 0.023 2.725 0.000) 2.725 14.659 ( 5.997 -18.506 0.000) 19.454 14.659 ( 5.997 18.506 0.000) 19.454 14.672 ( -0.285 -10.192 0.000) 10.196 14.672 ( -0.285 10.192 0.000) 10.196 18.783 ( 6.036 -8.479 0.000) 10.408 18.783 ( 6.036 8.479 0.000) 10.408 19.470 ( -2.481 -5.858 0.000) 6.362 19.470 ( -2.481 5.858 0.000) 6.362 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 2.155 -12.944 0.000) 13.122 2.179 ( 2.155 12.944 0.000) 13.122 2.295 ( 0.563 -12.952 0.000) 12.964 2.295 ( 0.563 12.952 0.000) 12.964 2.864 ( 0.222 -5.482 0.000) 5.486 2.864 ( 0.222 5.482 0.000) 5.486 3.120 ( -5.533 -3.001 0.000) 6.295 3.120 ( -5.533 3.001 0.000) 6.295 3.778 ( -7.900 -5.211 0.000) 9.464 3.778 ( -7.900 5.211 0.000) 9.464 3.848 ( -8.529 -4.928 0.000) 9.850 3.848 ( -8.529 4.928 0.000) 9.850 5.676 ( 14.468 -4.709 0.000) 15.215 5.676 ( 14.468 4.709 0.000) 15.215 6.024 ( 3.477 -12.609 0.000) 13.079 6.024 ( 3.477 12.609 0.000) 13.079 6.400 ( 17.048 -11.310 0.000) 20.459 6.400 ( 17.048 11.310 0.000) 20.459 7.081 ( 21.036 -11.596 0.000) 24.021 7.081 ( 21.036 11.596 0.000) 24.021 7.242 ( -13.280 -7.715 0.000) 15.358 7.242 ( -13.280 7.715 0.000) 15.358 8.196 ( 3.732 -1.168 0.000) 3.911 8.196 ( 3.732 1.168 0.000) 3.911 8.440 ( -1.336 -17.115 0.000) 17.167 8.440 ( -1.336 17.115 0.000) 17.167 8.668 ( 0.831 -8.031 0.000) 8.074 8.668 ( 0.831 8.031 0.000) 8.074 9.538 ( -1.914 -4.373 0.000) 4.773 9.538 ( -1.914 4.373 0.000) 4.773 9.900 ( -12.988 -7.184 0.000) 14.842 9.900 ( -12.988 7.184 0.000) 14.842 10.252 ( 9.597 -10.247 0.000) 14.040 10.252 ( 9.597 10.247 0.000) 14.040 10.351 ( -2.592 -12.929 0.000) 13.186 10.351 ( -2.592 12.929 0.000) 13.186 11.008 ( 5.385 -8.634 0.000) 10.176 11.008 ( 5.385 8.634 0.000) 10.176 11.156 ( 6.885 -17.120 0.000) 18.452 11.156 ( 6.885 17.120 0.000) 18.452 12.135 ( -15.743 -1.185 0.000) 15.787 12.135 ( -15.743 1.185 0.000) 15.787 12.142 ( -11.981 -8.530 0.000) 14.708 12.142 ( -11.981 8.530 0.000) 14.708 13.986 ( 1.957 -4.165 0.000) 4.602 13.986 ( 1.957 4.165 0.000) 4.602 13.987 ( 3.370 -6.130 0.000) 6.996 13.987 ( 3.370 6.130 0.000) 6.996 14.455 ( -0.763 -4.077 0.000) 4.148 14.455 ( -0.763 4.077 0.000) 4.148 14.477 ( -1.245 -5.446 0.000) 5.586 14.477 ( -1.245 5.446 0.000) 5.586 14.719 ( 4.337 -10.772 0.000) 11.612 14.719 ( 4.337 10.772 0.000) 11.612 14.766 ( 4.446 -11.412 0.000) 12.248 14.766 ( 4.446 11.412 0.000) 12.248 18.927 ( 8.720 -5.554 0.000) 10.338 18.927 ( 8.720 5.554 0.000) 10.338 19.398 ( -5.124 -4.615 0.000) 6.896 19.398 ( -5.124 4.615 0.000) 6.896 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 2.817 -8.721 0.000) 9.165 2.225 ( 2.817 8.721 0.000) 9.165 2.280 ( -2.290 -5.729 0.000) 6.170 2.280 ( -2.290 5.729 0.000) 6.170 2.913 ( 4.868 -2.695 0.000) 5.564 2.913 ( 4.868 2.695 0.000) 5.564 3.020 ( -5.440 -2.525 0.000) 5.998 3.020 ( -5.440 2.525 0.000) 5.998 3.669 ( -2.395 -3.637 0.000) 4.354 3.669 ( -2.395 3.637 0.000) 4.354 3.703 ( -5.523 -3.923 0.000) 6.774 3.703 ( -5.523 3.923 0.000) 6.774 5.910 ( 9.361 -7.421 0.000) 11.946 5.910 ( 9.361 7.421 0.000) 11.946 6.027 ( -2.885 -10.367 0.000) 10.761 6.027 ( -2.885 10.367 0.000) 10.761 6.710 ( 14.704 -15.499 0.000) 21.364 6.710 ( 14.704 15.499 0.000) 21.364 6.980 ( -13.776 -12.246 0.000) 18.432 6.980 ( -13.776 12.246 0.000) 18.432 7.567 ( 27.100 -15.900 0.000) 31.420 7.567 ( 27.100 15.900 0.000) 31.420 8.025 ( -18.633 -13.495 0.000) 23.006 8.025 ( -18.633 13.495 0.000) 23.007 8.546 ( 7.769 -8.067 0.000) 11.200 8.546 ( 7.769 8.067 0.000) 11.200 8.650 ( -2.958 -6.147 0.000) 6.821 8.650 ( -2.958 6.147 0.000) 6.821 9.516 ( 1.927 -11.492 0.000) 11.652 9.516 ( 1.927 11.492 0.000) 11.652 9.650 ( -11.389 -10.448 0.000) 15.455 9.650 ( -11.389 10.448 0.000) 15.455 10.333 ( 0.550 -15.000 0.000) 15.010 10.333 ( 0.550 15.000 0.000) 15.010 10.343 ( 0.698 -14.904 0.000) 14.920 10.343 ( 0.698 14.904 0.000) 14.920 11.184 ( 10.634 -13.553 0.000) 17.227 11.184 ( 10.634 13.553 0.000) 17.227 11.280 ( 2.836 -17.804 0.000) 18.028 11.280 ( 2.836 17.804 0.000) 18.028 11.886 ( -7.533 -1.178 0.000) 7.625 11.886 ( -7.533 1.178 0.000) 7.625 11.922 ( -9.386 -6.156 0.000) 11.224 11.922 ( -9.386 6.156 0.000) 11.224 14.021 ( 1.366 -2.342 0.000) 2.712 14.021 ( 1.366 2.342 0.000) 2.712 14.028 ( 0.806 -3.456 0.000) 3.549 14.028 ( 0.806 3.456 0.000) 3.549 14.443 ( -0.340 -5.170 0.000) 5.181 14.443 ( -0.340 5.170 0.000) 5.181 14.449 ( -1.041 -5.843 0.000) 5.935 14.449 ( -1.041 5.843 0.000) 5.935 14.795 ( 2.899 -6.584 0.000) 7.194 14.795 ( 2.899 6.584 0.000) 7.194 14.817 ( 0.746 -5.187 0.000) 5.240 14.817 ( 0.746 5.187 0.000) 5.240 19.104 ( 9.384 -1.555 0.000) 9.512 19.104 ( 9.384 1.555 0.000) 9.512 19.273 ( -7.864 -2.121 0.000) 8.145 19.273 ( -7.864 2.121 0.000) 8.145 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 0.000 0.000 35.295) 35.295 0.749 ( 0.000 0.000 36.812) 36.812 1.338 ( 0.000 0.000 64.945) 64.945 2.760 ( 0.000 0.000 5.137) 5.137 3.162 ( 0.000 0.000 -0.084) 0.084 3.289 ( 0.000 0.000 -4.175) 4.175 3.316 ( 0.000 0.000 -16.143) 16.143 3.460 ( 0.000 0.000 3.178) 3.178 3.693 ( 0.000 0.000 -7.667) 7.667 3.747 ( 0.000 0.000 -6.514) 6.514 3.935 ( 0.000 0.000 -16.113) 16.113 4.540 ( 0.000 0.000 3.908) 3.908 4.666 ( 0.000 0.000 -2.580) 2.580 5.034 ( 0.000 0.000 6.148) 6.148 5.676 ( 0.000 0.000 9.499) 9.499 5.860 ( 0.000 0.000 1.389) 1.389 5.939 ( 0.000 0.000 0.927) 0.927 6.083 ( 0.000 0.000 -2.307) 2.307 6.629 ( 0.000 0.000 -13.532) 13.532 6.698 ( 0.000 0.000 0.566) 0.566 7.009 ( 0.000 0.000 1.443) 1.443 7.532 ( 0.000 0.000 17.609) 17.609 7.766 ( 0.000 0.000 -2.325) 2.325 8.319 ( 0.000 0.000 9.815) 9.815 8.430 ( 0.000 0.000 -13.751) 13.751 8.444 ( 0.000 0.000 -3.585) 3.585 8.575 ( 0.000 0.000 -18.725) 18.725 8.689 ( 0.000 0.000 1.860) 1.860 9.455 ( 0.000 0.000 21.162) 21.162 9.643 ( 0.000 0.000 11.556) 11.556 9.847 ( 0.000 0.000 1.979) 1.979 9.885 ( 0.000 0.000 5.787) 5.787 10.032 ( 0.000 0.000 3.384) 3.384 10.097 ( 0.000 0.000 7.184) 7.184 10.230 ( 0.000 0.000 -11.022) 11.022 10.699 ( 0.000 0.000 -6.182) 6.182 10.798 ( 0.000 0.000 -7.654) 7.654 10.887 ( 0.000 0.000 -0.015) 0.015 11.152 ( 0.000 0.000 -10.615) 10.615 11.608 ( 0.000 0.000 -6.781) 6.781 12.336 ( 0.000 0.000 -12.770) 12.770 12.605 ( 0.000 0.000 -3.154) 3.154 12.645 ( 0.000 0.000 -12.763) 12.763 12.756 ( 0.000 0.000 -4.798) 4.798 13.412 ( 0.000 0.000 2.437) 2.437 13.649 ( 0.000 0.000 5.904) 5.904 13.709 ( 0.000 0.000 -1.410) 1.410 14.170 ( 0.000 0.000 -0.030) 0.030 14.188 ( 0.000 0.000 0.507) 0.507 14.239 ( 0.000 0.000 0.745) 0.745 14.342 ( 0.000 0.000 -3.296) 3.296 14.352 ( 0.000 0.000 -0.661) 0.661 14.512 ( 0.000 0.000 9.723) 9.723 14.624 ( 0.000 0.000 6.935) 6.935 14.980 ( 0.000 0.000 10.703) 10.703 15.731 ( 0.000 0.000 0.348) 0.348 18.254 ( 0.000 0.000 10.164) 10.164 19.301 ( 0.000 0.000 -1.894) 1.894 19.354 ( 0.000 0.000 -1.793) 1.793 19.815 ( 0.000 0.000 -0.711) 0.711 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 21.809 0.000 23.064) 31.743 1.061 ( 27.264 0.000 24.054) 36.358 1.813 ( 40.147 0.000 45.877) 60.963 2.787 ( 2.578 0.000 4.421) 5.118 3.086 ( -6.009 0.000 -3.118) 6.770 3.264 ( -5.538 0.000 -9.431) 10.936 3.344 ( 2.569 0.000 -5.037) 5.654 3.449 ( 1.635 0.000 -1.433) 2.174 3.617 ( -7.438 0.000 -7.461) 10.535 3.707 ( -2.031 0.000 -6.308) 6.627 3.815 ( -12.077 0.000 -12.397) 17.307 4.571 ( -10.126 0.000 -1.433) 10.227 4.622 ( 7.581 0.000 2.686) 8.042 5.082 ( 4.460 0.000 6.268) 7.692 5.422 ( -9.144 0.000 12.544) 15.523 5.566 ( -3.243 0.000 7.547) 8.214 6.210 ( 19.961 0.000 -1.086) 19.990 6.472 ( 9.535 0.000 -3.177) 10.050 6.560 ( -5.157 0.000 -4.973) 7.164 6.685 ( -1.294 0.000 0.452) 1.371 7.122 ( 8.636 0.000 -7.433) 11.394 7.573 ( 4.197 0.000 14.916) 15.495 7.702 ( -7.585 0.000 -0.529) 7.604 8.212 ( -4.321 0.000 5.078) 6.667 8.366 ( -6.637 0.000 -11.056) 12.895 8.489 ( 3.888 0.000 -3.042) 4.937 8.687 ( 5.905 0.000 -15.594) 16.675 8.702 ( 1.437 0.000 4.634) 4.852 9.121 ( -10.870 0.000 18.245) 21.237 9.633 ( 0.945 0.000 -0.082) 0.948 9.760 ( -6.166 0.000 9.483) 11.311 10.032 ( -5.202 0.000 4.957) 7.186 10.037 ( 12.622 0.000 10.752) 16.581 10.232 ( 3.394 0.000 -8.112) 8.793 10.536 ( 17.541 0.000 -20.547) 27.017 10.582 ( -13.038 0.000 -6.818) 14.713 10.684 ( -2.172 0.000 -7.453) 7.763 11.025 ( 6.565 0.000 3.996) 7.686 11.210 ( 3.629 0.000 -6.372) 7.333 11.497 ( -7.275 0.000 -7.704) 10.596 12.234 ( -7.700 0.000 -4.237) 8.789 12.516 ( -8.525 0.000 -2.264) 8.821 12.645 ( -4.441 0.000 -8.959) 9.999 12.720 ( -2.407 0.000 -6.404) 6.841 13.479 ( 6.200 0.000 1.474) 6.373 13.547 ( -2.351 0.000 3.112) 3.900 13.722 ( 1.425 0.000 -1.886) 2.363 13.985 ( -0.159 0.000 21.910) 21.910 14.165 ( -0.466 0.000 0.367) 0.593 14.225 ( -1.242 0.000 -0.283) 1.274 14.346 ( -0.488 0.000 -1.770) 1.836 14.355 ( 0.787 0.000 -1.213) 1.446 14.600 ( 1.256 0.000 5.316) 5.463 14.872 ( 7.761 0.000 -3.876) 8.675 15.059 ( 8.407 0.000 8.037) 11.630 15.637 ( -6.935 0.000 0.785) 6.980 18.324 ( 7.192 0.000 9.395) 11.832 19.275 ( -2.004 0.000 -3.035) 3.637 19.390 ( 0.789 0.000 -2.684) 2.797 19.799 ( -1.790 0.000 -1.204) 2.157 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 25.975 0.000 9.248) 27.572 1.643 ( 31.184 0.000 11.863) 33.365 2.554 ( 29.457 0.000 27.513) 40.307 2.840 ( 2.158 0.000 2.289) 3.146 2.976 ( -4.264 0.000 -3.234) 5.352 3.153 ( -3.662 0.000 -12.793) 13.307 3.361 ( -1.392 0.000 -4.083) 4.314 3.434 ( -10.819 0.000 -6.257) 12.498 3.513 ( -17.713 0.000 -6.180) 18.760 3.536 ( 7.492 0.000 -1.696) 7.682 3.699 ( 1.245 0.000 -5.240) 5.386 4.305 ( -16.251 0.000 1.831) 16.353 4.778 ( 7.590 0.000 1.700) 7.778 5.172 ( 3.973 0.000 6.488) 7.608 5.477 ( 11.186 0.000 1.102) 11.240 5.633 ( 9.677 0.000 4.865) 10.830 6.468 ( -3.208 0.000 -5.596) 6.450 6.545 ( 0.908 0.000 12.137) 12.171 6.594 ( 14.643 0.000 -5.140) 15.519 6.659 ( 3.141 0.000 -1.155) 3.347 7.266 ( 5.566 0.000 -10.857) 12.200 7.557 ( -5.352 0.000 1.512) 5.561 7.680 ( 6.118 0.000 7.785) 9.901 8.113 ( -8.276 0.000 -0.091) 8.277 8.200 ( -9.204 0.000 -4.941) 10.446 8.575 ( 4.973 0.000 -3.480) 6.070 8.725 ( -1.092 0.000 -5.440) 5.548 8.739 ( 1.807 0.000 3.623) 4.049 9.089 ( 2.341 0.000 5.977) 6.419 9.669 ( 1.145 0.000 -14.617) 14.661 9.676 ( 0.078 0.000 -1.633) 1.635 9.833 ( -15.550 0.000 3.110) 15.858 10.239 ( 3.592 0.000 10.903) 11.479 10.305 ( 4.003 0.000 -7.967) 8.916 10.422 ( 1.094 0.000 0.426) 1.174 10.628 ( -3.182 0.000 -3.294) 4.580 10.734 ( 6.467 0.000 -10.594) 12.411 11.119 ( 4.124 0.000 7.708) 8.741 11.226 ( -0.809 0.000 3.361) 3.457 11.453 ( 2.205 0.000 -11.111) 11.328 12.089 ( -7.419 0.000 -0.827) 7.465 12.310 ( -12.286 0.000 -0.760) 12.309 12.411 ( -17.535 0.000 -5.856) 18.487 12.653 ( -5.977 0.000 -2.503) 6.480 13.616 ( 7.385 0.000 -0.562) 7.406 13.680 ( 13.649 0.000 -5.896) 14.868 13.768 ( 3.573 0.000 -2.877) 4.587 14.109 ( 10.598 0.000 13.377) 17.066 14.158 ( -0.139 0.000 0.877) 0.888 14.196 ( -1.796 0.000 -1.354) 2.249 14.328 ( -1.245 0.000 -1.029) 1.615 14.361 ( -0.446 0.000 -0.378) 0.585 14.637 ( 2.889 0.000 6.910) 7.490 14.903 ( -1.370 0.000 2.506) 2.856 15.196 ( 4.305 0.000 5.878) 7.286 15.506 ( -6.826 0.000 1.627) 7.017 18.522 ( 13.088 0.000 7.169) 14.922 19.231 ( -2.363 0.000 -5.716) 6.185 19.369 ( -2.589 0.000 -2.281) 3.451 19.740 ( -4.588 0.000 -2.214) 5.094 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 23.640 0.000 2.323) 23.754 2.205 ( 26.229 0.000 4.206) 26.564 2.773 ( -0.876 0.000 3.883) 3.980 2.841 ( -2.400 0.000 -1.518) 2.840 2.911 ( -3.764 0.000 1.163) 3.940 3.188 ( -13.636 0.000 -1.977) 13.779 3.195 ( 1.578 0.000 -7.547) 7.710 3.250 ( -8.658 0.000 -2.983) 9.158 3.308 ( -0.349 0.000 -8.138) 8.145 3.709 ( 6.622 0.000 2.318) 7.016 3.733 ( 0.526 0.000 -2.131) 2.195 4.024 ( -9.546 0.000 8.540) 12.808 4.905 ( 6.003 0.000 2.415) 6.470 5.204 ( -1.060 0.000 6.135) 6.226 5.782 ( 19.529 0.000 -4.195) 19.974 5.884 ( 14.994 0.000 3.519) 15.401 6.437 ( -1.026 0.000 -5.158) 5.259 6.556 ( -5.914 0.000 2.256) 6.330 6.601 ( 6.956 0.000 12.813) 14.579 7.000 ( 19.119 0.000 -11.852) 22.495 7.326 ( 0.848 0.000 -7.054) 7.104 7.512 ( -0.188 0.000 -0.328) 0.378 7.730 ( -3.268 0.000 -1.075) 3.441 7.872 ( -16.268 0.000 -4.182) 16.797 8.107 ( 2.182 0.000 -4.223) 4.753 8.679 ( 5.193 0.000 1.429) 5.386 8.708 ( 0.937 0.000 -6.797) 6.861 8.722 ( -5.254 0.000 -8.472) 9.969 9.055 ( -5.730 0.000 3.393) 6.659 9.472 ( -20.391 0.000 0.626) 20.400 9.679 ( 2.591 0.000 -10.324) 10.644 9.826 ( 13.972 0.000 -8.000) 16.100 10.260 ( 0.186 0.000 8.552) 8.554 10.367 ( 1.706 0.000 -8.608) 8.775 10.436 ( -2.990 0.000 3.264) 4.426 10.623 ( 1.587 0.000 11.337) 11.448 10.858 ( 7.246 0.000 -0.196) 7.249 11.216 ( -0.557 0.000 4.648) 4.681 11.241 ( 9.826 0.000 4.915) 10.987 11.507 ( 1.730 0.000 -12.276) 12.397 11.947 ( -10.330 0.000 -2.769) 10.695 12.057 ( -13.928 0.000 0.562) 13.939 12.075 ( -11.301 0.000 2.207) 11.514 12.497 ( -9.821 0.000 2.448) 10.122 13.748 ( 6.277 0.000 -3.754) 7.314 13.858 ( 5.292 0.000 -3.517) 6.354 13.970 ( 14.775 0.000 -11.656) 18.819 14.140 ( -2.366 0.000 -1.556) 2.832 14.174 ( 0.100 0.000 0.904) 0.909 14.300 ( -1.618 0.000 0.130) 1.624 14.305 ( 7.333 0.000 -0.761) 7.373 14.335 ( -2.155 0.000 0.596) 2.236 14.736 ( 8.355 0.000 11.362) 14.103 14.882 ( 0.468 0.000 4.346) 4.371 15.206 ( -3.450 0.000 4.212) 5.445 15.369 ( -7.493 0.000 7.769) 10.793 18.809 ( 16.286 0.000 3.919) 16.751 19.195 ( -1.090 0.000 -7.924) 7.998 19.306 ( -3.657 0.000 -3.966) 5.395 19.615 ( -8.608 0.000 -2.707) 9.024 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 19.196 0.000 0.313) 19.198 2.603 ( 14.076 0.000 -2.464) 14.290 2.641 ( -12.216 0.000 0.873) 12.247 2.763 ( -5.119 0.000 -4.591) 6.876 2.921 ( 5.224 0.000 -5.988) 7.946 3.029 ( -1.603 0.000 1.055) 1.919 3.072 ( -9.344 0.000 -9.065) 13.019 3.106 ( -6.923 0.000 1.174) 7.022 3.411 ( 7.541 0.000 -4.509) 8.786 3.581 ( -10.225 0.000 -2.900) 10.628 3.842 ( 6.238 0.000 9.057) 10.997 3.944 ( -3.625 0.000 10.895) 11.482 5.021 ( 6.181 0.000 3.760) 7.235 5.137 ( -5.395 0.000 5.078) 7.409 6.154 ( 16.603 0.000 -2.090) 16.734 6.168 ( 13.902 0.000 3.927) 14.446 6.373 ( -6.620 0.000 -2.440) 7.055 6.402 ( -10.198 0.000 3.886) 10.913 6.863 ( 19.812 0.000 1.614) 19.878 7.241 ( -13.777 0.000 -3.503) 14.216 7.335 ( 15.274 0.000 -11.279) 18.987 7.517 ( 0.622 0.000 -2.761) 2.830 7.581 ( -9.104 0.000 -4.059) 9.968 7.582 ( -10.607 0.000 -6.244) 12.309 8.261 ( 12.037 0.000 -13.276) 17.921 8.523 ( -13.904 0.000 -18.703) 23.305 8.747 ( 4.637 0.000 -3.556) 5.843 8.798 ( 3.710 0.000 1.215) 3.904 8.944 ( -2.257 0.000 -0.675) 2.355 9.109 ( -15.956 0.000 0.633) 15.968 9.837 ( 13.102 0.000 4.092) 13.726 10.113 ( -13.695 0.000 6.041) 14.968 10.120 ( 14.692 0.000 -9.290) 17.383 10.331 ( -6.366 0.000 -9.266) 11.242 10.481 ( 6.235 0.000 10.342) 12.076 10.594 ( -4.467 0.000 12.705) 13.467 11.021 ( 9.342 0.000 4.121) 10.210 11.173 ( -5.073 0.000 5.665) 7.604 11.489 ( 14.839 0.000 2.303) 15.016 11.520 ( 2.013 0.000 -11.369) 11.546 11.663 ( -13.138 0.000 -7.998) 15.381 11.779 ( -14.993 0.000 1.471) 15.065 12.097 ( 8.117 0.000 8.500) 11.753 12.292 ( -11.084 0.000 6.014) 12.611 13.860 ( 5.244 0.000 -6.395) 8.270 13.924 ( -0.111 0.000 -6.277) 6.278 14.115 ( 1.216 0.000 0.358) 1.268 14.164 ( -2.024 0.000 1.053) 2.282 14.210 ( 9.854 0.000 -14.095) 17.198 14.276 ( -0.398 0.000 1.521) 1.572 14.292 ( -1.853 0.000 1.376) 2.308 14.339 ( -3.243 0.000 -11.431) 11.883 14.927 ( 7.944 0.000 9.151) 12.118 14.976 ( 11.350 0.000 11.475) 16.140 15.083 ( -8.122 0.000 4.153) 9.122 15.203 ( -10.347 0.000 11.317) 15.334 19.125 ( 16.054 0.000 0.572) 16.064 19.196 ( 1.196 0.000 -8.188) 8.275 19.239 ( -3.087 0.000 -6.464) 7.163 19.407 ( -12.973 0.000 -1.834) 13.102 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.000 24.211 24.637) 34.542 1.085 ( 0.000 28.268 21.588) 35.569 1.852 ( 0.000 39.843 40.190) 56.593 2.753 ( 0.000 -2.358 4.661) 5.224 3.060 ( 0.000 -7.981 -1.339) 8.093 3.199 ( 0.000 -10.389 -2.135) 10.606 3.258 ( 0.000 -3.745 -14.854) 15.319 3.469 ( 0.000 2.215 -1.912) 2.926 3.599 ( 0.000 -4.563 -8.109) 9.305 3.723 ( 0.000 -1.549 -2.938) 3.321 4.016 ( 0.000 5.832 -15.023) 16.116 4.558 ( 0.000 -9.283 -2.954) 9.742 4.841 ( 0.000 17.508 -4.971) 18.200 5.095 ( 0.000 4.344 8.828) 9.839 5.748 ( 0.000 7.443 5.618) 9.325 5.787 ( 0.000 -4.865 0.379) 4.880 5.817 ( 0.000 -13.158 7.011) 14.909 6.000 ( 0.000 3.865 0.187) 3.869 6.580 ( 0.000 -4.247 -12.150) 12.870 6.925 ( 0.000 10.287 0.284) 10.291 7.008 ( 0.000 9.771 2.414) 10.064 7.458 ( 0.000 -3.364 11.305) 11.795 7.916 ( 0.000 10.498 1.282) 10.576 8.194 ( 0.000 -15.918 -6.014) 17.017 8.353 ( 0.000 3.325 10.269) 10.794 8.389 ( 0.000 -6.050 3.153) 6.822 8.693 ( 0.000 6.798 -4.437) 8.118 8.752 ( 0.000 4.455 -8.901) 9.954 9.350 ( 0.000 -4.101 8.338) 9.292 9.662 ( 0.000 -0.814 6.227) 6.280 9.747 ( 0.000 -7.564 14.398) 16.264 9.763 ( 0.000 -6.208 5.509) 8.300 10.081 ( 0.000 0.348 8.427) 8.434 10.246 ( 0.000 1.818 -11.246) 11.392 10.281 ( 0.000 7.541 -8.457) 11.331 10.753 ( 0.000 4.344 -6.491) 7.810 10.811 ( 0.000 -2.745 -8.815) 9.233 10.926 ( 0.000 3.669 0.663) 3.728 11.212 ( 0.000 0.894 -6.736) 6.795 11.548 ( 0.000 -4.547 -10.079) 11.057 12.333 ( 0.000 -0.199 -12.592) 12.593 12.553 ( 0.000 -5.309 -5.916) 7.949 12.649 ( 0.000 0.387 -12.750) 12.755 12.737 ( 0.000 -0.944 -2.821) 2.975 13.495 ( 0.000 7.398 2.368) 7.768 13.552 ( 0.000 -2.519 7.296) 7.719 13.759 ( 0.000 3.538 -0.446) 3.566 13.971 ( 0.000 0.414 23.063) 23.067 14.151 ( 0.000 -3.196 0.337) 3.214 14.179 ( 0.000 0.513 -0.074) 0.518 14.357 ( 0.000 0.326 -1.604) 1.636 14.367 ( 0.000 1.961 -3.271) 3.814 14.588 ( 0.000 0.852 6.169) 6.228 14.884 ( 0.000 7.082 -6.554) 9.649 14.918 ( 0.000 -5.497 10.828) 12.143 15.577 ( 0.000 -14.002 3.308) 14.387 18.330 ( 0.000 6.771 8.266) 10.685 19.098 ( 0.000 -13.595 7.181) 15.375 19.319 ( 0.000 1.777 -1.882) 2.588 19.765 ( 0.000 -4.667 -0.870) 4.747 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 14.179 23.208 18.440) 32.858 1.290 ( 19.419 17.660 20.264) 33.160 2.187 ( 29.952 29.902 29.479) 51.578 2.750 ( -0.362 -4.486 3.747) 5.856 3.011 ( -4.164 -6.489 -1.940) 7.950 3.147 ( -5.888 -9.706 -4.212) 12.109 3.271 ( 1.304 -6.163 -10.151) 11.947 3.486 ( 1.437 3.707 -1.988) 4.445 3.587 ( -1.073 -4.629 -8.842) 10.039 3.642 ( -7.241 -0.860 -3.172) 7.952 3.928 ( -8.761 7.820 -12.054) 16.828 4.464 ( -9.191 -8.241 -2.007) 12.507 4.906 ( 5.694 18.958 -4.307) 20.258 5.150 ( 5.418 4.895 8.636) 11.309 5.437 ( -8.386 2.507 9.283) 12.758 5.593 ( -4.822 2.983 5.198) 7.692 6.206 ( 21.073 -2.699 2.644) 21.409 6.264 ( 10.899 -10.826 -0.056) 15.362 6.518 ( -4.598 -3.284 -7.967) 9.767 6.934 ( -1.378 21.286 0.362) 21.334 7.074 ( 6.813 -3.580 -4.669) 9.002 7.492 ( 2.942 -3.538 9.237) 10.320 7.838 ( -6.556 9.129 3.281) 11.708 8.144 ( -2.132 -9.097 -3.810) 10.090 8.249 ( -5.606 -1.819 3.859) 7.045 8.529 ( 5.720 -4.221 6.061) 9.342 8.714 ( -2.879 7.298 -8.724) 11.733 8.800 ( 9.348 3.214 -3.659) 10.540 9.245 ( -5.579 8.746 5.671) 11.823 9.625 ( -3.781 -2.504 3.517) 5.739 9.747 ( -1.394 -1.209 6.495) 6.753 9.882 ( 7.413 -8.480 1.035) 11.311 10.105 ( 4.385 1.308 11.111) 12.016 10.205 ( 0.919 -0.866 -8.091) 8.189 10.358 ( -1.100 -3.563 -8.567) 9.343 10.726 ( -2.332 3.580 -5.678) 7.106 10.767 ( -0.258 3.208 -11.608) 12.046 11.028 ( 6.516 0.653 4.786) 8.111 11.197 ( -2.211 -3.632 -1.198) 4.418 11.467 ( -5.547 -1.986 -11.241) 12.691 12.231 ( -7.512 0.137 -6.421) 9.884 12.503 ( -6.885 -1.283 -6.121) 9.301 12.633 ( -5.075 -1.576 -9.566) 10.943 12.674 ( -4.263 -3.677 -5.472) 7.850 13.512 ( 2.358 3.835 2.527) 5.163 13.614 ( 7.450 6.974 1.566) 10.324 13.762 ( 0.810 3.413 -1.652) 3.877 14.004 ( 4.608 3.894 19.811) 20.709 14.166 ( -0.277 -2.154 0.159) 2.178 14.186 ( 1.218 -0.619 0.047) 1.367 14.351 ( -0.908 0.842 -1.667) 2.076 14.374 ( 0.748 1.680 -2.159) 2.836 14.605 ( 1.326 0.503 6.621) 6.771 14.891 ( 0.068 -1.110 2.033) 2.318 15.005 ( 6.794 -4.852 4.409) 9.441 15.510 ( -5.304 -11.793 2.968) 13.268 18.388 ( 6.041 5.746 7.819) 11.430 19.164 ( 4.040 -13.424 2.105) 14.176 19.308 ( -1.048 1.133 -2.547) 2.978 19.749 ( -1.734 -4.630 -1.386) 5.134 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 19.214 12.735 10.235) 25.221 1.736 ( 24.981 7.259 14.100) 29.590 2.714 ( 6.461 1.674 5.868) 8.887 2.773 ( 13.107 3.068 8.039) 15.680 2.924 ( -4.655 -5.435 -0.570) 7.179 3.023 ( -3.742 -7.902 -6.634) 10.975 3.291 ( 0.245 -6.073 -4.456) 7.536 3.425 ( -8.790 -1.847 -3.311) 9.572 3.526 ( -3.941 2.320 -4.184) 6.198 3.603 ( 3.090 -1.680 -5.063) 6.165 3.734 ( -8.602 10.109 -6.392) 14.732 4.228 ( -14.479 -6.107 0.421) 15.719 5.016 ( 5.382 20.188 -0.674) 20.904 5.279 ( 7.174 7.691 8.079) 13.262 5.486 ( 11.186 0.867 2.076) 11.410 5.651 ( 10.123 2.429 3.269) 10.911 6.380 ( 3.464 -8.585 -1.574) 9.390 6.423 ( -1.207 -4.701 4.518) 6.631 6.642 ( 20.270 0.642 -4.656) 20.808 6.869 ( -4.833 18.879 1.185) 19.524 7.210 ( 6.455 -5.571 -9.359) 12.661 7.515 ( -1.856 -2.087 3.893) 4.791 7.781 ( 1.899 7.811 5.391) 9.679 8.108 ( -2.796 -5.559 -5.638) 8.397 8.127 ( -6.453 0.436 2.115) 6.805 8.562 ( -1.410 0.946 6.496) 6.714 8.676 ( -0.511 -1.966 -8.601) 8.837 8.976 ( 6.039 6.228 0.463) 8.687 9.171 ( -3.085 13.700 0.367) 14.048 9.565 ( -1.678 -5.475 -6.716) 8.826 9.717 ( -3.052 -1.496 -1.696) 3.799 9.861 ( -5.889 3.670 -4.725) 8.395 10.246 ( 0.329 -3.912 -7.929) 8.848 10.280 ( -0.577 -0.324 4.364) 4.414 10.314 ( 13.676 -3.736 8.392) 16.475 10.665 ( -4.014 3.171 -2.841) 5.852 10.807 ( 3.057 2.953 -6.822) 8.038 11.126 ( 1.937 -3.514 7.517) 8.521 11.140 ( -0.303 -4.446 4.202) 6.125 11.430 ( 1.824 -1.772 -10.518) 10.821 12.085 ( -7.683 0.020 -2.137) 7.975 12.313 ( -12.127 0.114 -3.231) 12.551 12.389 ( -17.294 -1.833 -6.984) 18.741 12.598 ( -5.998 -5.155 -4.021) 8.872 13.619 ( 7.822 3.033 -0.367) 8.397 13.780 ( 4.862 4.320 -2.360) 6.918 13.822 ( 9.767 6.971 -4.299) 12.746 14.141 ( 6.409 1.369 8.744) 10.927 14.157 ( 0.609 -0.114 0.448) 0.765 14.209 ( 2.166 2.296 0.149) 3.160 14.329 ( -1.229 0.659 -1.475) 2.030 14.378 ( -0.531 1.671 -0.260) 1.772 14.641 ( 2.848 0.542 8.358) 8.847 14.869 ( -2.016 -3.211 3.821) 5.383 15.115 ( 3.909 -7.431 5.229) 9.891 15.410 ( -5.139 -8.835 3.749) 10.887 18.559 ( 11.598 3.457 6.056) 13.533 19.197 ( -0.291 -7.458 -2.903) 8.008 19.284 ( -1.467 -1.703 -3.274) 3.972 19.692 ( -4.396 -4.435 -2.451) 6.708 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 18.596 3.036 3.630) 19.189 2.194 ( 21.659 -1.380 9.295) 23.610 2.712 ( -1.965 -9.719 -4.105) 10.731 2.745 ( -8.565 -5.551 -0.462) 10.217 2.903 ( 0.552 -1.044 0.340) 1.229 3.064 ( -0.278 -5.044 -4.891) 7.031 3.237 ( -5.815 -0.694 -4.546) 7.414 3.263 ( -7.524 1.608 1.340) 7.810 3.438 ( -3.158 5.418 -7.743) 9.964 3.630 ( -1.340 -6.179 -2.654) 6.857 3.706 ( 2.037 2.066 2.667) 3.941 3.968 ( -10.447 -3.850 5.125) 12.257 5.135 ( 7.466 20.106 1.760) 21.519 5.387 ( 3.201 13.851 7.243) 15.954 5.789 ( 18.688 0.461 -2.203) 18.824 5.915 ( 15.622 3.211 1.641) 16.033 6.370 ( -2.258 -4.890 -7.135) 8.940 6.538 ( 12.345 -2.262 10.525) 16.380 6.717 ( -8.513 13.133 2.984) 15.933 7.046 ( 18.181 0.760 -8.735) 20.184 7.307 ( 3.158 -1.585 -8.641) 9.336 7.465 ( -1.265 -3.712 1.051) 4.060 7.768 ( -7.577 4.960 -0.667) 9.081 7.981 ( -9.084 7.378 -4.894) 12.685 8.113 ( 5.655 1.849 -3.206) 6.759 8.535 ( -1.306 -4.784 -2.435) 5.525 8.678 ( 0.866 -2.323 -4.917) 5.506 8.982 ( -4.343 6.514 0.961) 7.887 9.079 ( -6.493 9.048 -7.127) 13.222 9.454 ( -13.477 -0.852 -1.293) 13.566 9.680 ( 2.836 -1.000 -6.952) 7.575 9.850 ( 7.325 3.022 -2.803) 8.405 10.255 ( 0.167 -6.332 -7.606) 9.897 10.282 ( -1.911 1.373 6.748) 7.146 10.556 ( 9.092 5.840 6.601) 12.663 10.611 ( 0.715 1.101 6.995) 7.118 10.859 ( 2.609 -0.332 1.232) 2.904 11.098 ( -1.107 -10.689 5.579) 12.108 11.258 ( 9.565 0.763 3.494) 10.212 11.491 ( 2.913 -1.292 -11.541) 11.973 11.953 ( -7.191 0.398 -0.592) 7.227 12.028 ( -14.977 -2.922 -1.196) 15.306 12.070 ( -14.022 0.420 -1.813) 14.145 12.442 ( -9.911 -5.284 0.843) 11.263 13.768 ( 7.045 2.520 -2.234) 7.809 13.862 ( 4.902 1.115 -3.164) 5.940 14.037 ( 9.656 4.106 -9.058) 13.861 14.142 ( -0.390 -0.224 0.172) 0.481 14.182 ( -0.395 1.550 -2.312) 2.812 14.300 ( 0.117 0.627 0.172) 0.661 14.329 ( 2.381 1.465 -2.233) 3.578 14.359 ( 0.104 2.468 -0.689) 2.565 14.740 ( 8.060 0.587 12.193) 14.628 14.847 ( 0.834 -3.085 5.257) 6.152 15.135 ( -2.149 -6.478 4.392) 8.116 15.303 ( -6.285 -6.160 8.121) 11.975 18.818 ( 14.893 0.923 3.158) 15.252 19.181 ( -0.797 -3.165 -6.266) 7.066 19.248 ( -2.202 -2.730 -4.502) 5.707 19.573 ( -8.179 -3.902 -3.008) 9.548 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 14.890 -4.777 0.572) 15.648 2.501 ( -5.219 -10.015 2.666) 11.604 2.557 ( 7.283 -4.995 -0.005) 8.832 2.711 ( -2.892 -5.262 -2.070) 6.351 2.938 ( 2.759 -1.896 -5.237) 6.215 3.000 ( -3.694 -2.787 -3.252) 5.656 3.121 ( -5.064 4.073 -3.021) 7.167 3.136 ( -4.574 3.018 -1.364) 5.647 3.437 ( 2.742 0.466 -5.273) 5.962 3.534 ( -6.874 -4.639 -3.271) 8.914 3.746 ( 3.528 -5.106 7.312) 9.590 3.836 ( -5.328 -5.810 8.546) 11.627 5.284 ( 7.188 21.255 2.835) 22.616 5.387 ( -3.084 19.470 5.023) 20.342 6.109 ( 12.671 -2.329 -1.985) 13.035 6.218 ( 12.707 1.804 2.305) 13.040 6.305 ( -2.262 -1.745 -1.418) 3.189 6.518 ( -12.256 7.929 5.944) 15.761 6.884 ( 22.310 3.178 -0.391) 22.539 7.240 ( -7.403 -2.227 -3.696) 8.569 7.329 ( 5.222 -0.839 -5.170) 7.397 7.474 ( -9.006 -1.131 -4.821) 10.278 7.599 ( 5.957 6.488 -8.371) 12.152 7.801 ( -10.128 12.235 -8.659) 18.090 8.271 ( 9.577 1.593 -11.801) 15.281 8.455 ( -8.163 -4.317 -13.437) 16.304 8.728 ( 5.040 -2.107 -3.663) 6.578 8.860 ( -7.579 0.192 1.786) 7.788 9.018 ( 2.661 10.113 -3.640) 11.073 9.177 ( -12.826 6.495 0.830) 14.400 9.816 ( 10.937 -2.492 -0.096) 11.218 10.013 ( -0.848 -7.149 1.124) 7.287 10.140 ( -0.181 0.454 1.070) 1.176 10.262 ( -4.560 -3.117 0.391) 5.537 10.637 ( 3.899 11.109 6.669) 13.531 10.684 ( 0.697 8.469 7.482) 11.322 10.946 ( 6.840 -7.189 4.385) 10.849 11.062 ( -3.749 -10.112 5.906) 12.296 11.484 ( 11.149 -1.415 -1.054) 11.288 11.535 ( 5.708 1.935 -9.000) 10.831 11.674 ( -13.576 0.910 -7.933) 15.750 11.787 ( -14.731 0.757 -0.367) 14.755 12.038 ( 7.883 -5.298 7.765) 12.268 12.234 ( -11.256 -5.519 4.894) 13.458 13.883 ( 4.943 2.254 -4.919) 7.329 13.934 ( 0.837 1.028 -5.056) 5.227 14.107 ( 1.109 -0.794 -0.285) 1.394 14.147 ( -1.718 -1.471 0.602) 2.340 14.223 ( 4.403 1.490 -9.000) 10.130 14.278 ( -1.973 0.618 -0.678) 2.176 14.328 ( 1.111 3.049 -2.804) 4.289 14.369 ( -1.621 2.102 -9.277) 9.649 14.904 ( 6.784 -2.033 8.895) 11.370 14.954 ( 10.649 -1.973 12.467) 16.514 15.042 ( -6.539 -3.600 3.958) 8.449 15.158 ( -9.100 -4.185 10.535) 14.537 19.109 ( 14.697 -1.330 -0.221) 14.759 19.179 ( 0.786 -2.028 -7.136) 7.460 19.206 ( -1.876 -2.049 -6.288) 6.874 19.376 ( -12.196 -2.848 -2.197) 12.716 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 0.000 26.623 12.252) 29.307 1.723 ( 0.000 31.004 10.279) 32.664 2.558 ( 0.000 19.196 13.518) 23.478 2.575 ( 0.000 -15.062 2.576) 15.281 2.886 ( 0.000 -17.371 -0.748) 17.387 2.901 ( 0.000 -6.323 -3.096) 7.041 3.254 ( 0.000 3.890 -9.459) 10.228 3.457 ( 0.000 -1.031 -6.871) 6.948 3.662 ( 0.000 7.347 -2.402) 7.730 3.763 ( 0.000 9.188 -2.707) 9.579 4.089 ( 0.000 -0.661 -12.251) 12.269 4.317 ( 0.000 -13.224 -3.184) 13.602 5.077 ( 0.000 5.688 4.451) 7.223 5.161 ( 0.000 1.270 12.927) 12.989 5.669 ( 0.000 -2.535 6.574) 7.046 5.694 ( 0.000 -3.504 -0.189) 3.509 6.000 ( 0.000 15.143 -6.204) 16.364 6.088 ( 0.000 4.659 -3.009) 5.546 6.475 ( 0.000 -4.591 -6.515) 7.970 6.816 ( 0.000 -10.706 1.751) 10.848 7.452 ( 0.000 3.476 6.737) 7.581 7.593 ( 0.000 31.477 2.173) 31.552 7.858 ( 0.000 -15.049 -1.830) 15.160 8.145 ( 0.000 11.890 -2.213) 12.094 8.272 ( 0.000 -6.370 4.395) 7.739 8.463 ( 0.000 7.532 11.756) 13.962 8.631 ( 0.000 -6.666 -0.936) 6.731 8.907 ( 0.000 2.124 -4.705) 5.162 9.289 ( 0.000 -2.376 0.874) 2.531 9.510 ( 0.000 -10.050 0.812) 10.083 9.577 ( 0.000 -6.413 13.825) 15.240 9.671 ( 0.000 -5.080 7.517) 9.073 10.179 ( 0.000 8.476 8.356) 11.902 10.309 ( 0.000 4.274 -9.512) 10.429 10.354 ( 0.000 0.787 -7.619) 7.659 10.673 ( 0.000 -9.568 -2.392) 9.862 10.853 ( 0.000 5.012 -6.695) 8.364 11.036 ( 0.000 6.982 1.601) 7.163 11.110 ( 0.000 -7.948 -2.188) 8.244 11.423 ( 0.000 -8.238 -4.637) 9.453 12.336 ( 0.000 0.749 -12.070) 12.093 12.440 ( 0.000 -4.535 -10.218) 11.179 12.662 ( 0.000 0.786 -12.397) 12.422 12.714 ( 0.000 -1.466 -6.188) 6.359 13.660 ( 0.000 9.758 2.442) 10.059 13.676 ( 0.000 8.611 2.359) 8.928 13.845 ( 0.000 4.805 -1.869) 5.156 14.068 ( 0.000 -4.589 0.138) 4.591 14.107 ( 0.000 7.198 9.852) 12.202 14.215 ( 0.000 5.230 1.917) 5.570 14.336 ( 0.000 -3.266 -4.244) 5.355 14.407 ( 0.000 1.088 -3.528) 3.692 14.625 ( 0.000 3.580 11.948) 12.473 14.795 ( 0.000 -4.501 10.446) 11.374 14.889 ( 0.000 -3.985 0.253) 3.993 15.203 ( 0.000 -20.357 10.771) 23.031 18.504 ( 0.000 9.253 4.702) 10.379 18.878 ( 0.000 -8.825 3.002) 9.321 19.380 ( 0.000 4.141 -1.809) 4.519 19.637 ( 0.000 -7.071 -1.247) 7.180 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 8.347 21.714 11.895) 26.128 1.795 ( 6.371 28.223 11.027) 30.963 2.548 ( -2.300 -14.616 1.926) 14.921 2.695 ( 11.685 9.494 8.375) 17.228 2.867 ( -2.887 -12.838 0.589) 13.172 2.881 ( -1.330 -7.029 -2.150) 7.470 3.208 ( -3.655 1.736 -9.782) 10.586 3.438 ( -3.444 -5.437 -5.687) 8.589 3.653 ( 0.178 11.155 -2.946) 11.538 3.748 ( -1.241 10.444 -2.623) 10.840 4.044 ( -4.912 1.637 -11.019) 12.175 4.254 ( -6.465 -11.446 -2.716) 13.423 5.162 ( 8.774 4.818 2.669) 10.359 5.221 ( 6.056 1.213 10.858) 12.492 5.571 ( 0.909 8.364 4.000) 9.316 5.716 ( -7.051 7.629 -1.471) 10.493 6.043 ( 12.453 -3.471 7.306) 14.850 6.237 ( 6.572 -0.372 -8.712) 10.919 6.457 ( 0.965 -0.334 -1.438) 1.764 6.892 ( 6.511 -11.523 -2.187) 13.415 7.475 ( 1.730 4.024 5.978) 7.411 7.498 ( -8.063 21.026 -0.347) 22.522 7.912 ( 4.515 -3.967 0.620) 6.042 8.092 ( -4.856 11.097 -0.908) 12.147 8.204 ( -4.923 -3.685 3.729) 7.191 8.514 ( 4.256 2.665 6.271) 8.034 8.681 ( 2.208 -5.301 -0.944) 5.820 8.907 ( 1.157 0.842 -0.669) 1.579 9.354 ( 5.761 -0.105 0.013) 5.762 9.554 ( -0.477 -1.859 4.583) 4.969 9.623 ( 4.988 -8.198 1.818) 9.767 9.756 ( 10.938 -4.272 4.549) 12.593 10.158 ( -5.594 4.840 -1.896) 7.636 10.239 ( -1.216 2.506 -5.848) 6.477 10.360 ( -1.042 2.823 0.383) 3.033 10.678 ( 1.609 -8.527 -1.957) 8.895 10.829 ( -2.353 4.473 -6.854) 8.516 11.052 ( -4.199 -5.919 0.181) 7.260 11.083 ( 2.451 2.801 3.655) 5.216 11.389 ( -2.715 -6.473 -3.386) 7.793 12.259 ( -6.172 2.763 -10.339) 12.354 12.446 ( -1.986 -4.454 -10.145) 11.257 12.586 ( -6.910 -1.521 -10.678) 12.809 12.615 ( -9.910 -2.129 -6.985) 12.309 13.663 ( 2.582 9.534 2.414) 10.168 13.789 ( 8.170 7.446 0.838) 11.086 13.851 ( 1.056 5.283 -1.915) 5.718 14.071 ( 0.709 -3.874 2.745) 4.801 14.137 ( 2.621 4.360 3.762) 6.326 14.237 ( 2.308 5.747 0.987) 6.271 14.360 ( 1.152 -0.566 -2.903) 3.175 14.416 ( 1.202 1.730 -3.533) 4.114 14.638 ( 1.386 3.583 12.462) 13.040 14.804 ( 0.367 -5.219 10.492) 11.724 14.880 ( -0.274 -6.691 1.035) 6.776 15.186 ( -1.196 -17.871 9.721) 20.379 18.540 ( 3.901 8.382 4.599) 10.326 18.916 ( 3.366 -10.165 2.141) 10.919 19.365 ( -1.490 4.135 -2.637) 5.126 19.622 ( -1.624 -7.035 -1.845) 7.452 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 11.584 13.299 12.889) 21.844 1.938 ( 9.139 18.361 8.125) 22.061 2.497 ( -2.367 -13.810 0.449) 14.019 2.754 ( -6.794 -11.061 2.553) 13.230 2.853 ( -1.394 -5.086 0.845) 5.341 2.916 ( 7.125 -2.578 -1.814) 7.791 3.148 ( -2.155 -3.659 -7.724) 8.815 3.316 ( -8.020 -7.659 -3.697) 11.689 3.654 ( -2.269 12.148 -4.894) 13.292 3.733 ( -0.391 9.621 -1.442) 9.736 3.912 ( -7.642 5.331 -8.047) 12.312 4.083 ( -10.665 -7.604 -1.461) 13.179 5.369 ( 10.657 4.665 2.776) 11.960 5.425 ( 16.426 3.448 4.511) 17.380 5.589 ( 0.773 17.375 0.840) 17.412 5.777 ( 13.279 9.273 4.436) 16.793 6.250 ( 6.018 -4.424 -2.622) 7.916 6.294 ( 4.070 -7.485 4.146) 9.475 6.640 ( 16.926 1.096 -1.687) 17.045 7.027 ( 7.011 -11.508 -5.417) 14.524 7.301 ( -11.143 16.757 0.871) 20.143 7.494 ( -2.059 -0.172 3.410) 3.987 8.017 ( 6.312 5.895 1.313) 8.736 8.020 ( -0.870 7.476 -0.927) 7.583 8.123 ( -3.329 -0.167 -0.935) 3.462 8.592 ( 3.409 -0.254 2.586) 4.286 8.639 ( -6.085 0.153 -2.830) 6.712 8.958 ( 1.910 -5.569 6.022) 8.422 9.434 ( 2.626 -1.660 -3.752) 4.871 9.502 ( -6.737 2.750 -13.055) 14.946 9.703 ( 3.171 7.294 4.121) 8.957 9.952 ( 1.666 4.180 -7.720) 8.935 10.129 ( 9.565 -6.504 2.416) 11.817 10.174 ( -3.793 -4.372 -7.539) 9.505 10.403 ( 4.297 5.401 12.382) 14.175 10.719 ( 1.620 -4.865 0.507) 5.153 10.786 ( -1.242 0.806 -2.783) 3.153 10.953 ( -4.158 -5.383 -0.158) 6.803 11.137 ( 2.910 0.607 7.891) 8.432 11.365 ( 1.126 -5.402 -1.877) 5.828 12.120 ( -8.241 4.096 -6.601) 11.326 12.312 ( -11.425 -0.303 -7.513) 13.678 12.351 ( -16.088 -1.521 -8.861) 18.430 12.455 ( -7.256 -7.945 -6.823) 12.741 13.749 ( 5.830 8.486 1.758) 10.445 13.865 ( 1.704 4.485 -0.532) 4.827 13.965 ( 7.599 3.473 -2.376) 8.686 14.090 ( 1.034 -4.168 1.974) 4.726 14.203 ( 4.047 4.477 -2.017) 6.364 14.297 ( 3.508 4.381 -2.656) 6.209 14.360 ( -0.615 1.861 -2.796) 3.415 14.432 ( -0.280 2.908 -1.994) 3.537 14.684 ( 3.656 4.818 13.659) 14.938 14.781 ( -1.931 -4.417 7.266) 8.720 14.913 ( 3.136 -10.884 4.939) 12.357 15.167 ( -1.019 -13.598 8.715) 16.183 18.658 ( 8.298 5.836 3.635) 10.776 18.984 ( 3.429 -10.165 0.214) 10.730 19.324 ( -2.738 3.851 -4.476) 6.509 19.570 ( -3.931 -6.769 -3.108) 8.422 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 7.328 10.170 7.892) 14.813 2.172 ( 12.052 0.728 8.142) 14.563 2.465 ( -1.784 -11.930 -0.850) 12.093 2.613 ( -6.590 -8.191 2.780) 10.875 2.846 ( 1.226 -3.070 0.169) 3.310 2.967 ( -0.588 -4.989 -5.053) 7.125 3.124 ( -1.000 -8.302 -2.507) 8.729 3.172 ( -6.484 -6.957 -1.950) 9.708 3.572 ( -5.159 8.414 -5.306) 11.206 3.658 ( -6.601 6.400 -3.977) 10.017 3.783 ( -6.997 2.723 -2.417) 7.888 3.891 ( -8.028 -3.646 0.067) 8.817 5.568 ( 9.388 12.937 2.005) 16.110 5.677 ( 7.356 16.471 3.859) 18.447 5.779 ( 17.930 -0.448 2.744) 18.145 6.054 ( 13.848 9.601 -0.306) 16.854 6.266 ( 0.047 -4.231 -4.636) 6.276 6.542 ( 18.929 0.440 6.114) 19.897 6.958 ( 8.752 0.322 -4.925) 10.048 7.023 ( -7.150 5.621 -1.128) 9.165 7.263 ( 12.718 -2.548 -4.920) 13.872 7.388 ( -7.071 -3.724 2.710) 8.439 7.947 ( -9.593 9.974 -6.576) 15.322 8.107 ( 2.537 6.248 -5.607) 8.769 8.200 ( 10.223 5.001 3.456) 11.894 8.480 ( -8.658 -0.262 -8.914) 12.429 8.639 ( 1.016 -0.652 -0.676) 1.383 8.920 ( -5.485 -7.540 5.649) 10.902 9.338 ( -7.856 6.758 -14.661) 17.953 9.472 ( -0.730 1.369 -5.998) 6.195 9.668 ( -2.764 4.124 -2.885) 5.742 9.947 ( -2.812 3.932 4.722) 6.758 10.135 ( 2.143 -2.288 -5.408) 6.251 10.328 ( 0.399 2.384 7.155) 7.553 10.502 ( 10.865 -6.196 6.709) 14.194 10.754 ( -0.884 -14.152 6.173) 15.465 10.805 ( 6.694 11.066 0.825) 12.959 10.918 ( -0.042 0.647 3.116) 3.183 11.230 ( 7.530 -3.079 5.333) 9.728 11.439 ( 5.928 -5.306 -3.821) 8.826 11.955 ( -8.563 1.700 -1.482) 8.855 12.014 ( -16.641 1.377 -7.928) 18.485 12.075 ( -13.479 -0.088 -5.086) 14.406 12.287 ( -10.243 -9.119 -3.128) 14.066 13.866 ( 5.749 6.453 0.637) 8.666 13.910 ( 3.089 3.327 -1.274) 4.715 14.058 ( 2.077 -1.943 -2.213) 3.604 14.110 ( 0.880 -2.950 1.133) 3.280 14.262 ( 1.256 4.782 -7.479) 8.966 14.342 ( 0.535 3.002 -2.661) 4.047 14.362 ( 0.971 1.817 -4.073) 4.565 14.412 ( -1.047 1.738 -4.058) 4.537 14.777 ( 2.933 -2.318 7.862) 8.706 14.783 ( 5.843 3.994 13.102) 14.892 14.963 ( 1.366 -9.180 5.441) 10.758 15.131 ( -3.078 -9.702 9.050) 13.620 18.851 ( 11.462 2.334 1.402) 11.781 19.048 ( 3.294 -7.184 -2.398) 8.259 19.263 ( -3.594 2.742 -5.991) 7.506 19.466 ( -7.038 -5.899 -3.895) 9.975 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 6.392 0.681 4.355) 7.765 2.317 ( -2.142 -5.767 4.512) 7.630 2.435 ( 4.282 -6.504 1.035) 7.856 2.533 ( -3.384 -10.751 3.650) 11.847 2.898 ( 3.413 -1.123 -3.501) 5.016 2.945 ( -1.400 -1.999 -3.650) 4.391 3.079 ( -2.428 -5.851 -0.921) 6.401 3.090 ( -2.385 -8.083 1.690) 8.595 3.494 ( -1.822 6.145 -5.150) 8.222 3.534 ( -5.539 5.923 -4.516) 9.282 3.696 ( -0.049 -1.594 0.470) 1.663 3.762 ( -5.773 -2.919 1.139) 6.569 5.720 ( 6.047 16.518 2.059) 17.710 5.774 ( 1.182 16.015 4.693) 16.730 6.048 ( 9.984 -3.619 0.698) 10.643 6.179 ( -3.250 -4.435 -1.118) 5.611 6.404 ( 16.269 10.786 0.917) 19.542 6.725 ( -16.033 11.488 2.718) 19.910 6.934 ( 17.672 -4.081 -1.761) 18.222 7.128 ( -1.384 -5.808 -4.566) 7.517 7.318 ( 7.872 3.182 1.153) 8.569 7.581 ( 4.109 6.525 -12.549) 14.729 7.706 ( -2.453 5.009 -7.915) 9.683 8.003 ( -14.448 3.939 -13.501) 20.162 8.357 ( 4.813 6.787 -7.617) 11.280 8.410 ( -0.015 2.186 -5.579) 5.992 8.662 ( 3.891 -4.238 -3.835) 6.915 8.791 ( -7.451 -6.235 2.814) 10.115 9.273 ( 1.582 11.678 -3.235) 12.221 9.369 ( -7.158 11.369 -0.536) 13.446 9.710 ( 5.767 -7.503 -4.903) 10.658 9.847 ( -7.231 -8.589 1.166) 11.288 10.184 ( 2.955 5.720 5.159) 8.250 10.258 ( -4.452 3.267 9.704) 11.166 10.701 ( 5.740 -12.556 3.839) 14.330 10.739 ( -0.371 -14.509 5.501) 15.521 10.925 ( 4.971 11.996 3.860) 13.547 10.963 ( 2.969 13.060 4.945) 14.277 11.410 ( 9.933 -5.994 -0.392) 11.608 11.538 ( 1.865 -4.981 -4.939) 7.259 11.713 ( -8.950 4.092 -7.704) 12.498 11.815 ( -12.379 2.174 -3.402) 13.021 11.916 ( 3.585 -5.251 2.661) 6.893 12.077 ( -10.975 -8.953 1.109) 14.207 13.951 ( 3.055 3.989 -1.947) 5.388 13.969 ( 1.762 2.295 -1.990) 3.511 14.077 ( 0.940 -2.128 -0.391) 2.359 14.106 ( -1.397 -2.532 0.240) 2.902 14.276 ( 1.164 3.502 -5.523) 6.643 14.314 ( -2.485 2.799 -2.403) 4.448 14.384 ( 1.069 1.209 -6.389) 6.589 14.401 ( -0.633 0.560 -7.205) 7.254 14.864 ( 5.457 -0.969 9.133) 10.683 14.912 ( 6.082 -1.323 12.278) 13.765 14.954 ( -1.665 -4.319 4.298) 6.317 15.045 ( -5.798 -6.111 8.972) 12.307 19.081 ( 11.911 -1.136 -1.474) 12.055 19.114 ( 3.653 -3.102 -4.914) 6.864 19.190 ( -3.767 0.346 -6.083) 7.164 19.300 ( -10.161 -4.097 -3.294) 11.440 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 0.000 -19.977 3.581) 20.295 2.143 ( 0.000 19.977 3.581) 20.295 2.351 ( 0.000 -23.003 6.660) 23.948 2.351 ( 0.000 23.003 6.660) 23.948 2.812 ( 0.000 -2.870 -3.035) 4.177 2.812 ( 0.000 2.870 -3.035) 4.177 3.374 ( 0.000 -6.280 -6.237) 8.851 3.374 ( 0.000 6.280 -6.237) 8.851 3.937 ( 0.000 -13.819 -5.489) 14.869 3.937 ( 0.000 13.819 -5.489) 14.869 4.028 ( 0.000 -14.173 -3.187) 14.527 4.028 ( 0.000 14.173 -3.187) 14.527 5.146 ( 0.000 -2.075 10.869) 11.065 5.146 ( 0.000 2.075 10.869) 11.065 5.654 ( 0.000 -0.533 3.055) 3.101 5.654 ( 0.000 0.533 3.055) 3.101 6.176 ( 0.000 -1.669 -8.583) 8.744 6.176 ( 0.000 1.669 -8.583) 8.744 6.541 ( 0.000 -12.992 1.205) 13.048 6.541 ( 0.000 12.992 1.205) 13.048 7.593 ( 0.000 -10.059 1.670) 10.197 7.593 ( 0.000 10.059 1.670) 10.197 8.084 ( 0.000 -13.705 5.312) 14.699 8.084 ( 0.000 13.705 5.312) 14.699 8.434 ( 0.000 -13.283 -4.545) 14.039 8.434 ( 0.000 13.283 -4.545) 14.039 8.706 ( 0.000 -16.401 6.994) 17.830 8.706 ( 0.000 16.401 6.994) 17.830 9.329 ( 0.000 -6.509 -0.834) 6.562 9.329 ( 0.000 6.509 -0.834) 6.562 9.562 ( 0.000 -3.906 10.032) 10.765 9.562 ( 0.000 3.906 10.032) 10.765 10.327 ( 0.000 -3.737 -5.215) 6.415 10.327 ( 0.000 3.737 -5.215) 6.415 10.454 ( 0.000 -10.177 1.234) 10.251 10.454 ( 0.000 10.177 1.234) 10.251 10.963 ( 0.000 -5.849 -5.509) 8.035 10.963 ( 0.000 5.849 -5.509) 8.035 11.220 ( 0.000 -10.246 1.099) 10.305 11.220 ( 0.000 10.246 1.099) 10.305 12.369 ( 0.000 -2.433 -11.561) 11.814 12.369 ( 0.000 2.433 -11.561) 11.814 12.683 ( 0.000 -1.322 -10.603) 10.685 12.683 ( 0.000 1.322 -10.603) 10.685 13.787 ( 0.000 -0.228 2.851) 2.860 13.787 ( 0.000 0.228 2.851) 2.860 13.962 ( 0.000 -5.791 -1.068) 5.889 13.962 ( 0.000 5.791 -1.068) 5.889 14.214 ( 0.000 -6.534 -4.175) 7.754 14.214 ( 0.000 6.534 -4.175) 7.754 14.374 ( 0.000 -5.195 -1.829) 5.508 14.374 ( 0.000 5.195 -1.829) 5.508 14.792 ( 0.000 -3.666 5.625) 6.715 14.792 ( 0.000 3.666 5.625) 6.715 14.807 ( 0.000 -15.179 18.700) 24.085 14.807 ( 0.000 15.179 18.700) 24.085 18.696 ( 0.000 -8.956 2.315) 9.251 18.696 ( 0.000 8.956 2.315) 9.251 19.492 ( 0.000 -6.485 -1.606) 6.681 19.492 ( 0.000 6.485 -1.606) 6.681 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 0.906 -18.699 3.557) 19.056 2.151 ( 0.906 18.699 3.557) 19.056 2.377 ( 1.841 -23.099 8.489) 24.678 2.377 ( 1.841 23.099 8.489) 24.678 2.824 ( 0.969 -0.835 -3.714) 3.928 2.824 ( 0.969 0.835 -3.714) 3.928 3.308 ( -6.084 -6.466 -6.516) 11.013 3.308 ( -6.084 6.466 -6.516) 11.013 3.938 ( -0.646 -9.295 -6.765) 11.515 3.938 ( -0.646 9.295 -6.765) 11.515 4.006 ( -2.389 -10.523 -2.534) 11.084 4.006 ( -2.389 10.523 -2.534) 11.084 5.212 ( 6.897 -1.426 7.780) 10.495 5.212 ( 6.897 1.426 7.780) 10.495 5.719 ( 7.109 -5.637 5.240) 10.477 5.719 ( 7.109 5.637 5.240) 10.477 6.142 ( -1.826 -8.015 -5.462) 9.869 6.142 ( -1.826 8.015 -5.462) 9.869 6.609 ( 6.257 -13.565 0.039) 14.939 6.609 ( 6.257 13.565 0.039) 14.939 7.575 ( -2.242 -6.156 0.690) 6.587 7.575 ( -2.242 6.156 0.690) 6.587 8.049 ( -2.621 -9.607 4.314) 10.853 8.049 ( -2.621 9.607 4.314) 10.853 8.441 ( 0.323 -14.452 -4.876) 15.256 8.441 ( 0.323 14.452 -4.876) 15.256 8.726 ( 2.039 -12.817 8.147) 15.323 8.726 ( 2.039 12.817 8.147) 15.323 9.402 ( 4.486 -7.071 -2.937) 8.875 9.402 ( 4.486 7.071 -2.937) 8.875 9.657 ( 11.152 -5.020 7.573) 14.385 9.657 ( 11.152 5.020 7.573) 14.385 10.248 ( -8.105 -2.307 -9.336) 12.577 10.248 ( -8.105 2.307 -9.336) 12.577 10.479 ( 2.905 -8.615 5.680) 10.720 10.479 ( 2.905 8.615 5.680) 10.720 10.927 ( -3.316 -5.021 -6.092) 8.563 10.927 ( -3.316 5.021 -6.092) 8.563 11.219 ( -0.227 -8.577 3.829) 9.395 11.219 ( -0.227 8.577 3.829) 9.395 12.342 ( -2.964 -4.905 -10.925) 12.338 12.342 ( -2.964 4.905 -10.925) 12.338 12.582 ( -9.830 -0.872 -10.187) 14.183 12.582 ( -9.830 0.872 -10.187) 14.183 13.827 ( 3.719 -4.170 2.338) 6.057 13.827 ( 3.719 4.170 2.338) 6.057 13.969 ( 0.757 -5.383 -0.103) 5.437 13.969 ( 0.757 5.383 -0.103) 5.437 14.249 ( 3.173 -6.174 -5.097) 8.612 14.249 ( 3.173 6.174 -5.097) 8.612 14.400 ( 2.196 -3.748 -2.930) 5.240 14.400 ( 2.196 3.748 -2.930) 5.240 14.753 ( -2.018 -4.666 9.875) 11.107 14.753 ( -2.018 4.666 9.875) 11.107 14.840 ( 1.926 -12.803 14.169) 19.193 14.840 ( 1.926 12.803 14.169) 19.193 18.722 ( 2.671 -8.915 2.274) 9.580 18.722 ( 2.671 8.915 2.274) 9.580 19.477 ( -1.538 -6.478 -2.324) 7.053 19.477 ( -1.538 6.478 -2.324) 7.053 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 2.260 -12.718 3.726) 13.444 2.181 ( 2.260 12.718 3.726) 13.444 2.397 ( 0.091 -19.614 10.462) 22.230 2.397 ( 0.091 19.614 10.462) 22.230 2.836 ( 0.200 -2.894 -3.672) 4.680 2.836 ( 0.200 2.894 -3.672) 4.680 3.177 ( -6.664 -4.954 -6.303) 10.425 3.177 ( -6.664 4.954 -6.303) 10.425 3.868 ( -6.661 -4.100 -7.038) 10.522 3.868 ( -6.661 4.100 -7.038) 10.522 3.941 ( -4.678 -1.401 -2.570) 5.518 3.941 ( -4.678 1.401 -2.570) 5.518 5.415 ( 13.957 -1.455 3.360) 14.429 5.415 ( 13.957 1.455 3.360) 14.429 5.903 ( 9.901 -4.303 3.336) 11.299 5.903 ( 9.901 4.303 3.336) 11.299 6.172 ( 6.627 -1.140 0.304) 6.731 6.172 ( 6.627 1.140 0.304) 6.731 6.767 ( 10.431 -11.273 -0.893) 15.384 6.767 ( 10.431 11.273 -0.893) 15.384 7.479 ( -8.225 -2.539 1.096) 8.678 7.479 ( -8.225 2.539 1.096) 8.678 8.038 ( 2.325 -3.219 -1.163) 4.137 8.038 ( 2.325 3.219 -1.163) 4.137 8.439 ( -0.580 -15.348 -3.787) 15.819 8.439 ( -0.580 15.348 -3.787) 15.819 8.758 ( 0.202 -10.371 8.424) 13.362 8.758 ( 0.202 10.371 8.424) 13.362 9.438 ( -0.348 -3.749 -8.371) 9.179 9.438 ( -0.348 3.749 -8.371) 9.179 9.955 ( 15.846 -9.341 2.015) 18.505 9.955 ( 15.846 9.341 2.015) 18.505 10.064 ( -8.261 -4.071 -7.225) 11.705 10.064 ( -8.261 4.071 -7.225) 11.705 10.527 ( 0.340 -7.647 9.481) 12.185 10.527 ( 0.340 7.647 9.481) 12.185 10.876 ( -0.275 -3.834 -5.907) 7.048 10.876 ( -0.275 3.834 -5.907) 7.048 11.216 ( 0.483 -7.135 7.301) 10.220 11.216 ( 0.483 7.135 7.301) 10.220 12.248 ( -6.989 -6.982 -8.699) 13.164 12.248 ( -6.989 6.982 -8.699) 13.164 12.341 ( -14.339 -1.246 -9.295) 17.133 12.341 ( -14.339 1.246 -9.295) 17.133 13.909 ( 4.312 -4.774 1.343) 6.572 13.909 ( 4.312 4.774 1.343) 6.572 13.990 ( 1.386 -4.520 1.093) 4.852 13.990 ( 1.386 4.520 1.093) 4.852 14.311 ( 2.715 -3.481 -6.661) 7.991 14.311 ( 2.715 3.481 -6.661) 7.991 14.431 ( 0.426 -3.698 -4.540) 5.871 14.431 ( 0.426 3.698 -4.540) 5.871 14.741 ( 1.163 -3.010 9.283) 9.828 14.741 ( 1.163 3.010 9.283) 9.828 14.883 ( 2.566 -12.633 13.271) 18.502 14.883 ( 2.566 12.633 13.271) 18.502 18.799 ( 5.317 -7.729 1.508) 9.502 18.799 ( 5.317 7.729 1.508) 9.502 19.431 ( -3.355 -6.224 -3.894) 8.072 19.431 ( -3.355 6.224 -3.894) 8.072 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 2.868 -5.761 4.320) 7.751 2.233 ( 2.868 5.761 4.320) 7.751 2.380 ( -1.825 -12.201 8.272) 14.853 2.380 ( -1.825 12.201 8.272) 14.853 2.847 ( 1.538 -3.932 -1.465) 4.469 2.847 ( 1.538 3.932 -1.465) 4.469 3.071 ( -4.340 -2.399 -4.783) 6.890 3.071 ( -4.340 2.399 -4.783) 6.890 3.719 ( -7.693 -4.022 -5.876) 10.482 3.719 ( -7.693 4.022 -5.876) 10.482 3.817 ( -7.744 -3.245 -2.349) 8.718 3.817 ( -7.744 3.245 -2.349) 8.718 5.703 ( 14.493 -3.782 2.183) 15.137 5.703 ( 14.493 3.782 2.183) 15.137 6.033 ( 3.793 -11.235 0.840) 11.888 6.033 ( 3.793 11.235 0.840) 11.888 6.403 ( 15.197 -13.256 0.624) 20.176 6.403 ( 15.197 13.256 0.624) 20.176 7.014 ( 13.057 -6.678 -5.537) 15.676 7.014 ( 13.057 6.678 -5.537) 15.676 7.296 ( -7.320 -4.965 3.975) 9.697 7.296 ( -7.320 4.965 3.975) 9.697 8.093 ( -0.114 -5.183 -8.668) 10.100 8.093 ( -0.114 5.183 -8.668) 10.100 8.426 ( 0.363 -9.233 -1.585) 9.375 8.426 ( 0.363 9.233 -1.585) 9.375 8.714 ( -4.385 -9.283 2.663) 10.606 8.714 ( -4.385 9.283 2.663) 10.606 9.421 ( -0.178 -3.725 -9.153) 9.884 9.421 ( -0.178 3.725 -9.153) 9.884 9.863 ( -9.811 -9.661 -3.972) 14.331 9.863 ( -9.811 9.661 -3.972) 14.331 10.267 ( 11.609 -10.102 3.691) 15.825 10.267 ( 11.609 10.102 3.691) 15.825 10.480 ( -3.691 -8.471 9.647) 13.358 10.480 ( -3.691 8.471 9.647) 13.358 10.955 ( 8.217 -3.135 -2.561) 9.160 10.955 ( 8.217 3.135 -2.561) 9.160 11.263 ( 4.622 -8.675 7.312) 12.251 11.263 ( 4.622 8.675 7.312) 12.251 12.036 ( -14.396 -1.032 -7.897) 16.452 12.036 ( -14.396 1.032 -7.897) 16.452 12.100 ( -10.413 -6.527 -5.489) 13.460 12.100 ( -10.413 6.527 -5.489) 13.460 13.979 ( 2.858 -2.507 0.081) 3.802 13.979 ( 2.858 2.507 0.081) 3.802 14.021 ( 1.658 -4.302 1.200) 4.763 14.021 ( 1.658 4.302 1.200) 4.763 14.342 ( 0.699 -2.592 -6.850) 7.357 14.342 ( 0.699 2.592 -6.850) 7.357 14.415 ( -1.656 -1.606 -4.583) 5.130 14.415 ( -1.656 1.606 -4.583) 5.130 14.798 ( 4.275 -5.202 7.860) 10.350 14.798 ( 4.275 5.202 7.860) 10.350 14.928 ( 1.652 -9.073 11.149) 14.469 14.928 ( 1.652 9.073 11.149) 14.469 18.922 ( 7.381 -4.673 -0.519) 8.751 18.922 ( 7.381 4.673 -0.519) 8.751 19.347 ( -5.434 -5.175 -5.059) 9.050 19.347 ( -5.434 5.175 -5.059) 9.050 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 2.545 -1.835 4.998) 5.902 2.284 ( 2.545 1.835 4.998) 5.902 2.335 ( -2.653 -3.653 5.333) 6.987 2.335 ( -2.653 3.653 5.333) 6.987 2.906 ( 4.430 -1.814 -0.574) 4.822 2.906 ( 4.430 1.814 -0.574) 4.822 2.995 ( -4.244 -0.929 -2.534) 5.030 2.995 ( -4.244 0.929 -2.534) 5.030 3.622 ( -1.279 -4.704 -4.207) 6.439 3.622 ( -1.279 4.704 -4.207) 6.439 3.675 ( -6.061 -5.305 -2.563) 8.453 3.675 ( -6.061 5.305 -2.563) 8.453 5.935 ( 9.250 -5.638 2.317) 11.078 5.935 ( 9.250 5.638 2.317) 11.078 6.049 ( -2.484 -8.084 2.518) 8.824 6.049 ( -2.484 8.084 2.518) 8.824 6.696 ( 14.788 -15.109 -1.403) 21.188 6.696 ( 14.788 15.109 -1.403) 21.188 6.961 ( -12.483 -10.382 -1.954) 16.353 6.961 ( -12.483 10.382 -1.954) 16.353 7.506 ( 22.076 -10.246 -6.737) 25.253 7.506 ( 22.076 10.246 -6.737) 25.253 7.914 ( -17.765 -10.253 -11.748) 23.638 7.914 ( -17.765 10.253 -11.748) 23.638 8.501 ( 6.373 -3.489 -2.542) 7.698 8.501 ( 6.373 3.489 -2.542) 7.698 8.618 ( -5.425 -7.191 -1.720) 9.171 8.618 ( -5.425 7.191 -1.720) 9.171 9.477 ( 6.596 -7.143 -2.686) 10.087 9.477 ( 6.596 7.143 -2.686) 10.087 9.658 ( -11.104 -8.346 -0.643) 13.905 9.658 ( -11.104 8.346 -0.643) 13.905 10.395 ( 2.853 -8.523 5.908) 10.756 10.395 ( 2.853 8.523 5.908) 10.756 10.430 ( -1.556 -7.518 7.711) 10.881 10.430 ( -1.556 7.518 7.711) 10.881 11.169 ( 12.613 -6.755 -0.460) 14.315 11.169 ( 12.613 6.755 -0.460) 14.315 11.331 ( -1.189 -9.640 3.841) 10.444 11.331 ( -1.189 9.640 3.841) 10.444 11.823 ( -4.496 -4.647 -5.455) 8.459 11.823 ( -4.496 4.647 -5.455) 8.459 11.900 ( -9.530 -6.706 -2.957) 12.022 11.900 ( -9.530 6.706 -2.957) 12.022 14.022 ( 1.677 -2.530 -0.527) 3.081 14.022 ( 1.677 2.530 -0.527) 3.081 14.040 ( -0.005 -3.500 0.230) 3.507 14.040 ( -0.005 3.500 0.230) 3.507 14.354 ( 0.879 -3.152 -5.781) 6.642 14.354 ( 0.879 3.152 -5.781) 6.642 14.380 ( -1.772 -2.463 -4.645) 5.548 14.380 ( -1.772 2.463 -4.645) 5.548 14.881 ( 3.908 -2.399 7.538) 8.824 14.881 ( 3.908 2.399 7.538) 8.824 14.933 ( -1.254 -3.754 8.899) 9.739 14.933 ( -1.254 3.754 8.899) 9.739 19.073 ( 8.108 -0.685 -3.053) 8.691 19.073 ( 8.108 0.685 -3.053) 8.691 19.223 ( -7.282 -2.862 -4.825) 9.193 19.223 ( -7.282 2.862 -4.825) 9.193 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 0.000 0.000 30.877) 30.877 1.448 ( 0.000 0.000 32.954) 32.954 2.514 ( 0.000 0.000 49.978) 49.978 2.867 ( 0.000 0.000 4.900) 4.900 2.912 ( 0.000 0.000 -21.487) 21.487 3.184 ( 0.000 0.000 2.135) 2.135 3.190 ( 0.000 0.000 -4.973) 4.973 3.503 ( 0.000 0.000 -10.713) 10.713 3.520 ( 0.000 0.000 0.482) 0.482 3.539 ( 0.000 0.000 -21.688) 21.688 3.573 ( 0.000 0.000 -8.248) 8.248 4.594 ( 0.000 0.000 -4.739) 4.739 4.631 ( 0.000 0.000 5.110) 5.110 5.170 ( 0.000 0.000 5.988) 5.988 5.846 ( 0.000 0.000 -3.869) 3.869 5.938 ( 0.000 0.000 16.048) 16.048 6.021 ( 0.000 0.000 -5.579) 5.579 6.034 ( 0.000 0.000 9.079) 9.079 6.327 ( 0.000 0.000 -11.661) 11.661 6.700 ( 0.000 0.000 -0.075) 0.075 7.075 ( 0.000 0.000 5.993) 5.993 7.723 ( 0.000 0.000 -1.739) 1.739 7.970 ( 0.000 0.000 24.998) 24.998 8.087 ( 0.000 0.000 -20.106) 20.106 8.200 ( 0.000 0.000 -15.193) 15.193 8.390 ( 0.000 0.000 -5.610) 5.610 8.556 ( 0.000 0.000 12.268) 12.268 8.725 ( 0.000 0.000 2.321) 2.321 9.805 ( 0.000 0.000 12.329) 12.329 9.853 ( 0.000 0.000 4.583) 4.583 9.889 ( 0.000 0.000 -9.914) 9.914 9.906 ( 0.000 0.000 -8.276) 8.276 10.001 ( 0.000 0.000 4.328) 4.328 10.113 ( 0.000 0.000 4.487) 4.487 10.288 ( 0.000 0.000 10.774) 10.774 10.582 ( 0.000 0.000 -3.047) 3.047 10.597 ( 0.000 0.000 -11.310) 11.310 10.923 ( 0.000 0.000 5.262) 5.262 10.935 ( 0.000 0.000 -9.198) 9.198 11.437 ( 0.000 0.000 -9.191) 9.191 12.068 ( 0.000 0.000 -12.067) 12.067 12.324 ( 0.000 0.000 -17.984) 17.984 12.504 ( 0.000 0.000 -7.194) 7.194 12.627 ( 0.000 0.000 -8.381) 8.381 13.479 ( 0.000 0.000 4.072) 4.072 13.677 ( 0.000 0.000 -1.500) 1.500 13.757 ( 0.000 0.000 5.076) 5.076 14.163 ( 0.000 0.000 -0.794) 0.794 14.199 ( 0.000 0.000 0.062) 0.062 14.253 ( 0.000 0.000 -5.102) 5.102 14.259 ( 0.000 0.000 1.152) 1.152 14.341 ( 0.000 0.000 -0.559) 0.559 14.781 ( 0.000 0.000 8.969) 8.969 14.812 ( 0.000 0.000 18.368) 18.368 15.186 ( 0.000 0.000 8.271) 8.271 15.745 ( 0.000 0.000 1.042) 1.042 18.528 ( 0.000 0.000 16.578) 16.578 19.251 ( 0.000 0.000 -2.944) 2.944 19.305 ( 0.000 0.000 -3.046) 3.046 19.783 ( 0.000 0.000 -2.821) 2.821 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 8.948 0.000 26.419) 27.893 1.597 ( 14.517 0.000 27.750) 31.318 2.739 ( 19.275 0.000 36.911) 41.641 2.877 ( 0.714 0.000 3.887) 3.952 2.921 ( 1.674 0.000 -13.794) 13.896 3.056 ( -6.369 0.000 -2.716) 6.924 3.300 ( 1.736 0.000 0.544) 1.819 3.419 ( -6.801 0.000 -12.726) 14.429 3.432 ( -3.885 0.000 -3.049) 4.939 3.506 ( -5.096 0.000 -16.103) 16.890 3.570 ( -0.079 0.000 -5.586) 5.587 4.517 ( -7.880 0.000 -3.908) 8.795 4.693 ( 5.959 0.000 4.364) 7.386 5.219 ( 4.527 0.000 5.930) 7.460 5.599 ( -11.051 0.000 7.170) 13.173 5.780 ( -5.943 0.000 13.790) 15.016 6.140 ( 2.934 0.000 -19.331) 19.552 6.270 ( 14.544 0.000 7.636) 16.427 6.520 ( 15.364 0.000 -7.094) 16.922 6.689 ( -1.080 0.000 0.112) 1.085 7.118 ( 2.974 0.000 6.777) 7.401 7.672 ( -5.076 0.000 -1.343) 5.251 7.890 ( -5.775 0.000 12.297) 13.585 8.093 ( -0.692 0.000 -13.269) 13.287 8.239 ( 2.219 0.000 -9.712) 9.962 8.405 ( 1.207 0.000 -6.632) 6.741 8.514 ( -2.281 0.000 5.926) 6.349 8.814 ( 5.667 0.000 7.042) 9.039 9.469 ( -15.836 0.000 14.687) 21.599 9.565 ( -16.309 0.000 -8.213) 18.260 9.811 ( -10.092 0.000 -9.259) 13.696 10.011 ( 0.904 0.000 -5.432) 5.506 10.096 ( -3.414 0.000 -3.836) 5.135 10.274 ( 16.703 0.000 9.197) 19.068 10.435 ( 11.873 0.000 8.553) 14.633 10.483 ( -6.973 0.000 -1.481) 7.129 10.571 ( -1.137 0.000 -2.060) 2.353 11.027 ( 8.243 0.000 -9.938) 12.911 11.071 ( 10.543 0.000 2.077) 10.746 11.381 ( -3.708 0.000 -4.082) 5.514 12.048 ( -2.404 0.000 -10.526) 10.797 12.371 ( 3.290 0.000 -17.107) 17.421 12.438 ( -6.442 0.000 -5.834) 8.692 12.565 ( -6.309 0.000 -9.002) 10.992 13.518 ( 3.555 0.000 2.244) 4.204 13.652 ( -5.540 0.000 6.878) 8.832 13.679 ( 0.448 0.000 -1.979) 2.029 14.165 ( 0.305 0.000 -0.608) 0.680 14.203 ( -2.813 0.000 -2.345) 3.662 14.230 ( 1.998 0.000 3.519) 4.047 14.299 ( 1.592 0.000 -1.308) 2.061 14.346 ( 0.580 0.000 -0.355) 0.680 14.802 ( 1.505 0.000 12.492) 12.582 14.902 ( 6.498 0.000 8.451) 10.660 15.247 ( 5.252 0.000 7.404) 9.077 15.675 ( -5.497 0.000 3.426) 6.477 18.577 ( 4.992 0.000 15.253) 16.050 19.204 ( -4.502 0.000 -4.012) 6.030 19.313 ( -0.139 0.000 -4.740) 4.742 19.756 ( -2.862 0.000 -3.366) 4.418 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 14.573 0.000 16.304) 21.868 1.947 ( 20.308 0.000 17.408) 26.748 2.824 ( -5.157 0.000 -11.629) 12.721 2.869 ( -2.502 0.000 -0.315) 2.522 2.950 ( -4.616 0.000 -5.954) 7.533 3.134 ( 3.441 0.000 17.924) 18.251 3.257 ( 3.691 0.000 0.012) 3.691 3.287 ( -5.797 0.000 -7.576) 9.539 3.338 ( -11.534 0.000 -10.404) 15.533 3.538 ( 9.276 0.000 -2.641) 9.644 3.605 ( 8.345 0.000 3.400) 9.011 4.317 ( -11.451 0.000 -0.574) 11.466 4.827 ( 7.209 0.000 3.174) 7.877 5.308 ( 3.616 0.000 5.477) 6.563 5.520 ( 2.764 0.000 4.311) 5.121 5.779 ( 6.037 0.000 10.049) 11.724 6.194 ( 3.693 0.000 -15.205) 15.647 6.536 ( 12.858 0.000 1.222) 12.916 6.668 ( -0.840 0.000 1.565) 1.776 6.784 ( 11.691 0.000 -1.441) 11.780 7.121 ( -3.014 0.000 3.112) 4.333 7.573 ( -3.947 0.000 1.227) 4.133 7.794 ( -4.421 0.000 1.767) 4.761 8.053 ( -3.198 0.000 -8.898) 9.456 8.134 ( -14.890 0.000 -0.833) 14.914 8.438 ( 5.209 0.000 -11.024) 12.192 8.581 ( 6.231 0.000 -3.547) 7.170 8.728 ( -16.604 0.000 -8.656) 18.724 9.281 ( -5.167 0.000 10.658) 11.845 9.450 ( 6.371 0.000 -2.095) 6.707 9.592 ( -9.657 0.000 -6.196) 11.474 9.880 ( -15.861 0.000 0.074) 15.861 10.069 ( 3.675 0.000 -13.491) 13.983 10.396 ( -2.147 0.000 2.878) 3.591 10.547 ( -0.433 0.000 0.199) 0.477 10.594 ( 15.481 0.000 12.273) 19.755 10.665 ( 11.839 0.000 2.452) 12.090 11.178 ( 5.922 0.000 -8.502) 10.361 11.242 ( 6.838 0.000 4.414) 8.139 11.350 ( 0.573 0.000 2.057) 2.136 11.983 ( -4.265 0.000 -7.124) 8.303 12.278 ( -9.791 0.000 -2.872) 10.203 12.294 ( -12.065 0.000 -6.669) 13.785 12.492 ( -0.026 0.000 -12.895) 12.895 13.583 ( 2.553 0.000 -2.993) 3.934 13.652 ( 5.337 0.000 3.458) 6.359 13.711 ( 3.073 0.000 -2.389) 3.893 14.144 ( -2.974 0.000 -3.303) 4.445 14.181 ( 0.965 0.000 0.904) 1.323 14.269 ( 1.830 0.000 2.882) 3.414 14.318 ( 0.522 0.000 0.220) 0.566 14.357 ( 0.228 0.000 -0.133) 0.264 14.852 ( 3.968 0.000 11.410) 12.080 14.964 ( -0.217 0.000 5.013) 5.017 15.318 ( 1.054 0.000 4.269) 4.398 15.615 ( 0.027 0.000 10.025) 10.025 18.714 ( 9.040 0.000 11.506) 14.633 19.096 ( -6.073 0.000 -7.425) 9.592 19.274 ( -3.993 0.000 -6.812) 7.896 19.674 ( -5.674 0.000 -4.459) 7.216 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 17.412 0.000 7.004) 18.768 2.315 ( 16.309 0.000 6.020) 17.384 2.729 ( -3.467 0.000 -7.663) 8.411 2.770 ( -6.961 0.000 -5.734) 9.018 2.852 ( -5.742 0.000 -4.758) 7.457 3.053 ( -8.271 0.000 -6.932) 10.792 3.121 ( -8.864 0.000 -4.142) 9.784 3.215 ( -2.471 0.000 0.005) 2.471 3.314 ( 2.136 0.000 5.006) 5.442 3.589 ( -1.273 0.000 -8.931) 9.021 3.908 ( 12.445 0.000 15.280) 19.707 4.161 ( -2.575 0.000 5.591) 6.155 4.959 ( 6.711 0.000 2.664) 7.221 5.323 ( -2.351 0.000 4.258) 4.864 5.703 ( 16.141 0.000 -2.801) 16.383 5.989 ( 14.686 0.000 7.007) 16.272 6.283 ( 4.954 0.000 -7.898) 9.324 6.635 ( -2.359 0.000 5.850) 6.308 6.785 ( 12.658 0.000 -7.542) 14.735 6.905 ( -1.008 0.000 14.268) 14.304 7.129 ( 7.632 0.000 -12.853) 14.949 7.511 ( -4.244 0.000 1.728) 4.582 7.671 ( -10.374 0.000 -5.026) 11.527 7.747 ( -23.011 0.000 -9.928) 25.062 7.993 ( -1.980 0.000 -7.133) 7.402 8.352 ( -18.091 0.000 -25.633) 31.374 8.557 ( 5.990 0.000 -6.587) 8.903 8.695 ( 6.631 0.000 -0.084) 6.632 9.152 ( -9.511 0.000 6.135) 11.318 9.422 ( -15.353 0.000 -5.541) 16.323 9.676 ( 14.501 0.000 7.644) 16.392 9.692 ( 4.723 0.000 -4.413) 6.464 10.129 ( 1.508 0.000 -14.100) 14.180 10.339 ( -5.121 0.000 0.252) 5.128 10.585 ( 5.117 0.000 9.548) 10.833 10.836 ( 7.673 0.000 10.446) 12.961 10.890 ( 11.516 0.000 2.334) 11.750 11.245 ( 2.258 0.000 -7.120) 7.469 11.363 ( 7.506 0.000 6.667) 10.039 11.364 ( -0.698 0.000 2.873) 2.956 11.818 ( -14.497 0.000 -5.968) 15.678 12.072 ( -11.599 0.000 0.668) 11.618 12.136 ( -0.506 0.000 1.329) 1.422 12.464 ( -3.464 0.000 -6.628) 7.478 13.624 ( 2.323 0.000 -7.860) 8.196 13.771 ( 1.865 0.000 -5.777) 6.070 13.809 ( 9.668 0.000 -2.710) 10.041 14.100 ( -0.773 0.000 -1.410) 1.607 14.201 ( 0.795 0.000 1.455) 1.658 14.269 ( -2.664 0.000 -1.227) 2.933 14.323 ( 0.090 0.000 1.885) 1.887 14.347 ( -1.146 0.000 0.745) 1.367 14.939 ( 1.387 0.000 2.219) 2.616 14.962 ( 4.925 0.000 5.455) 7.350 15.314 ( -0.169 0.000 9.187) 9.188 15.618 ( -1.487 0.000 15.702) 15.772 18.913 ( 11.403 0.000 6.179) 12.970 18.998 ( -3.544 0.000 -11.309) 11.852 19.170 ( -6.390 0.000 -9.350) 11.325 19.539 ( -8.344 0.000 -4.802) 9.627 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 17.534 0.000 1.581) 17.605 2.528 ( 6.440 0.000 -5.174) 8.261 2.637 ( -6.283 0.000 -7.763) 9.987 2.646 ( -9.874 0.000 -2.326) 10.144 2.768 ( 0.419 0.000 -6.123) 6.137 2.865 ( -8.848 0.000 -10.015) 13.363 3.067 ( 3.027 0.000 3.219) 4.419 3.155 ( -4.329 0.000 3.633) 5.651 3.385 ( 5.246 0.000 -0.306) 5.255 3.503 ( -6.421 0.000 -5.408) 8.395 4.058 ( 6.156 0.000 12.511) 13.944 4.150 ( -2.337 0.000 10.602) 10.856 5.092 ( 7.205 0.000 2.636) 7.672 5.230 ( -6.667 0.000 3.076) 7.342 6.085 ( 20.268 0.000 -4.497) 20.761 6.292 ( 15.413 0.000 8.234) 17.475 6.325 ( -3.201 0.000 -1.536) 3.550 6.533 ( -8.924 0.000 9.326) 12.908 6.905 ( 5.169 0.000 0.918) 5.250 7.052 ( 15.496 0.000 -14.857) 21.468 7.174 ( -18.362 0.000 -4.165) 18.829 7.355 ( 5.188 0.000 -12.291) 13.341 7.381 ( -17.952 0.000 -13.804) 22.645 7.485 ( -6.194 0.000 -4.881) 7.885 8.001 ( 2.741 0.000 -12.369) 12.669 8.103 ( -8.339 0.000 -20.756) 22.369 8.695 ( 9.537 0.000 -0.377) 9.545 8.838 ( 5.172 0.000 1.582) 5.409 8.956 ( -7.804 0.000 2.917) 8.331 9.101 ( -14.745 0.000 -1.440) 14.815 9.900 ( 12.439 0.000 -11.865) 17.191 9.956 ( 13.923 0.000 6.802) 15.496 10.089 ( -6.186 0.000 -14.157) 15.449 10.191 ( -10.140 0.000 2.558) 10.458 10.721 ( 8.032 0.000 11.625) 14.130 10.854 ( -4.612 0.000 11.511) 12.401 11.107 ( 11.057 0.000 2.853) 11.419 11.285 ( -5.395 0.000 -3.651) 6.515 11.325 ( 4.895 0.000 0.679) 4.941 11.519 ( -14.196 0.000 -4.291) 14.830 11.570 ( 13.299 0.000 6.006) 14.592 11.832 ( -13.360 0.000 3.916) 13.922 12.220 ( 7.188 0.000 3.102) 7.829 12.362 ( -6.849 0.000 -0.194) 6.852 13.683 ( 3.746 0.000 -10.431) 11.084 13.755 ( -3.100 0.000 -10.269) 10.727 13.995 ( 9.459 0.000 -5.696) 11.041 14.131 ( 3.412 0.000 1.280) 3.644 14.163 ( -7.737 0.000 -4.739) 9.073 14.192 ( -2.109 0.000 1.440) 2.553 14.322 ( -0.138 0.000 2.860) 2.863 14.326 ( -0.672 0.000 2.096) 2.201 14.981 ( 3.398 0.000 -1.650) 3.778 15.031 ( -0.227 0.000 -3.510) 3.517 15.372 ( 7.074 0.000 19.777) 21.004 15.530 ( -7.465 0.000 19.167) 20.570 18.977 ( 1.549 0.000 -13.154) 13.245 19.050 ( -5.565 0.000 -12.049) 13.272 19.139 ( 11.815 0.000 0.763) 11.840 19.356 ( -10.582 0.000 -3.173) 11.048 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.000 16.171 25.136) 29.889 1.613 ( 0.000 13.243 27.015) 30.086 2.684 ( 0.000 12.036 37.501) 39.385 2.785 ( 0.000 -7.815 -8.532) 11.570 2.949 ( 0.000 1.973 -6.256) 6.560 3.045 ( 0.000 -8.026 -1.457) 8.158 3.116 ( 0.000 -8.834 -6.318) 10.861 3.354 ( 0.000 -2.901 -8.511) 8.992 3.522 ( 0.000 -0.715 -0.809) 1.080 3.634 ( 0.000 1.283 -5.554) 5.701 3.647 ( 0.000 6.951 -19.711) 20.901 4.474 ( 0.000 -9.982 -5.497) 11.396 4.828 ( 0.000 16.524 1.964) 16.641 5.294 ( 0.000 9.984 8.768) 13.287 5.755 ( 0.000 -8.560 3.215) 9.144 5.792 ( 0.000 -4.763 -1.153) 4.901 6.036 ( 0.000 -0.097 5.248) 5.249 6.124 ( 0.000 0.800 16.825) 16.844 6.290 ( 0.000 1.418 -13.431) 13.506 6.943 ( 0.000 17.666 0.953) 17.691 7.076 ( 0.000 4.070 5.649) 6.963 7.660 ( 0.000 -4.160 6.001) 7.301 7.956 ( 0.000 -9.889 -16.282) 19.050 8.035 ( 0.000 4.064 12.991) 13.612 8.205 ( 0.000 -1.517 -12.056) 12.151 8.526 ( 0.000 9.956 -11.381) 15.121 8.613 ( 0.000 5.400 13.809) 14.827 8.813 ( 0.000 6.788 5.737) 8.888 9.559 ( 0.000 -13.704 10.282) 17.132 9.737 ( 0.000 -8.989 -0.530) 9.004 9.914 ( 0.000 -1.113 5.789) 5.895 9.927 ( 0.000 3.039 -17.604) 17.865 10.005 ( 0.000 -6.160 10.674) 12.324 10.176 ( 0.000 4.288 -4.304) 6.075 10.275 ( 0.000 0.517 8.761) 8.776 10.625 ( 0.000 3.408 -4.254) 5.451 10.626 ( 0.000 0.514 -8.771) 8.786 10.981 ( 0.000 5.205 6.635) 8.433 11.018 ( 0.000 7.091 -9.946) 12.215 11.341 ( 0.000 -8.101 -10.268) 13.079 12.072 ( 0.000 0.497 -11.515) 11.526 12.326 ( 0.000 0.299 -18.198) 18.200 12.420 ( 0.000 -6.761 -7.824) 10.341 12.635 ( 0.000 -0.969 -7.366) 7.429 13.556 ( 0.000 6.924 3.494) 7.755 13.659 ( 0.000 -0.041 2.436) 2.436 13.776 ( 0.000 2.174 3.762) 4.345 14.146 ( 0.000 -3.874 -1.398) 4.119 14.161 ( 0.000 -0.392 -0.717) 0.817 14.256 ( 0.000 0.984 5.283) 5.374 14.295 ( 0.000 2.761 -3.259) 4.271 14.333 ( 0.000 -0.949 -0.935) 1.332 14.838 ( 0.000 4.307 16.596) 17.146 14.863 ( 0.000 3.710 4.999) 6.226 15.121 ( 0.000 -5.870 7.956) 9.888 15.657 ( 0.000 -8.010 4.334) 9.108 18.560 ( 0.000 2.959 14.270) 14.573 19.164 ( 0.000 -11.007 0.582) 11.023 19.267 ( 0.000 1.645 -3.168) 3.570 19.729 ( 0.000 -5.001 -2.975) 5.819 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 7.804 15.483 21.930) 27.956 1.743 ( 12.553 11.287 23.630) 29.041 2.758 ( 0.313 -5.701 -1.941) 6.031 2.845 ( 9.266 1.309 24.185) 25.933 2.942 ( -0.690 1.048 -6.985) 7.097 2.978 ( -3.165 -5.808 -3.576) 7.519 3.133 ( 0.129 -8.686 -3.986) 9.558 3.397 ( 4.530 -1.188 -6.785) 8.245 3.479 ( -4.398 -0.405 -2.391) 5.023 3.549 ( -6.395 4.179 -6.763) 10.202 3.638 ( -1.759 6.376 -13.368) 14.915 4.399 ( -7.406 -9.376 -4.559) 12.789 4.892 ( 6.134 16.739 1.813) 17.919 5.350 ( 5.317 10.353 8.908) 14.656 5.574 ( -8.127 -1.485 7.554) 11.194 5.738 ( -4.253 -3.139 8.428) 9.948 6.082 ( 2.719 -3.128 -10.781) 11.551 6.346 ( 14.724 1.235 8.875) 17.236 6.405 ( 11.193 -4.598 -5.159) 13.155 6.937 ( -1.326 21.273 -0.016) 21.315 7.076 ( 0.041 -2.583 5.590) 6.158 7.637 ( -2.415 -2.388 3.434) 4.829 7.930 ( -3.438 0.129 -1.552) 3.774 8.005 ( -0.089 -3.734 -0.705) 3.801 8.243 ( 1.188 -1.357 -8.226) 8.421 8.490 ( -5.651 2.787 -7.649) 9.910 8.583 ( 2.350 9.574 2.610) 10.198 8.930 ( 6.300 7.693 9.123) 13.494 9.416 ( -8.734 -3.038 10.199) 13.767 9.575 ( -16.671 -0.225 -8.251) 18.602 9.808 ( -11.297 -1.117 -6.156) 12.914 9.898 ( 3.610 -10.615 -0.149) 11.214 9.996 ( 0.612 -1.220 -7.915) 8.032 10.301 ( 4.636 -7.059 8.506) 11.987 10.405 ( 10.949 6.083 9.530) 15.738 10.601 ( 0.786 4.458 -3.655) 5.818 10.619 ( -0.868 3.595 -4.458) 5.793 11.075 ( 5.175 4.449 -9.405) 11.620 11.100 ( 9.120 2.696 3.850) 10.260 11.289 ( -3.583 -7.688 -5.338) 10.022 12.046 ( -2.705 -0.023 -9.805) 10.171 12.326 ( -1.401 -2.932 -15.091) 15.437 12.392 ( -2.226 -4.840 -9.797) 11.152 12.545 ( -8.878 -2.510 -7.540) 11.915 13.581 ( 1.835 5.637 3.061) 6.671 13.671 ( 2.493 3.632 2.830) 5.236 13.740 ( -1.710 4.416 1.342) 4.922 14.159 ( 0.214 -3.306 -1.906) 3.823 14.162 ( 0.153 -0.514 -0.790) 0.955 14.258 ( 0.386 1.608 4.596) 4.884 14.305 ( 0.533 1.099 -1.818) 2.190 14.350 ( 1.667 0.324 -0.613) 1.805 14.846 ( 0.923 4.072 14.775) 15.354 14.911 ( 3.353 0.316 4.862) 5.914 15.174 ( 4.603 -6.638 7.467) 11.001 15.600 ( -4.462 -6.856 5.960) 10.121 18.602 ( 4.351 2.388 13.202) 14.104 19.171 ( -0.542 -8.846 -1.267) 8.952 19.234 ( -2.743 0.224 -4.537) 5.307 19.701 ( -2.861 -5.021 -3.551) 6.783 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 11.118 11.929 15.365) 22.405 2.048 ( 17.833 7.166 16.225) 25.152 2.704 ( -4.780 -8.300 -4.048) 10.398 2.854 ( -5.380 -6.760 -5.130) 10.048 2.901 ( -3.209 0.584 -5.917) 6.756 2.996 ( 0.005 -9.254 3.208) 9.794 3.198 ( 1.282 -4.254 -0.995) 4.554 3.381 ( -3.867 2.321 -2.377) 5.098 3.403 ( -4.135 1.947 -5.239) 6.953 3.528 ( 1.737 1.261 -6.548) 6.891 3.648 ( 7.911 5.872 3.471) 10.445 4.212 ( -10.993 -8.283 -2.019) 13.911 5.032 ( 7.671 18.134 2.296) 19.823 5.464 ( 5.284 10.319 8.877) 14.601 5.538 ( 5.052 3.230 4.046) 7.234 5.751 ( 6.458 -1.752 7.292) 9.897 6.136 ( 3.452 -3.817 -12.712) 13.714 6.584 ( 10.700 3.532 4.559) 12.155 6.659 ( 13.087 -8.705 1.469) 15.786 6.882 ( -3.602 17.140 -0.157) 17.515 7.075 ( 0.042 -2.827 0.095) 2.829 7.567 ( -4.459 0.312 1.213) 4.632 7.891 ( -1.392 6.032 2.968) 6.865 7.998 ( -1.891 -4.290 -3.408) 5.796 8.142 ( -11.709 1.486 -3.721) 12.376 8.424 ( -0.213 -2.315 -12.667) 12.878 8.659 ( 1.149 5.523 2.347) 6.110 8.841 ( -12.684 9.909 -16.995) 23.408 9.245 ( -5.326 -2.858 7.767) 9.842 9.482 ( -1.751 0.613 2.459) 3.081 9.640 ( 1.572 5.619 -5.441) 7.978 9.829 ( -9.575 -4.367 -1.569) 10.640 10.026 ( 1.214 -1.976 -11.336) 11.571 10.371 ( 3.007 -2.677 6.439) 7.594 10.595 ( 8.048 0.258 6.750) 10.506 10.611 ( 2.376 4.456 5.335) 7.346 10.721 ( 10.408 4.359 -0.973) 11.326 11.171 ( 4.223 -0.010 -6.343) 7.620 11.222 ( 1.570 -5.577 2.654) 6.372 11.288 ( 4.722 -1.692 2.252) 5.498 11.980 ( -3.930 -0.179 -6.692) 7.762 12.221 ( -8.741 -3.947 -7.003) 11.876 12.263 ( -13.730 -3.843 -5.093) 15.140 12.420 ( -1.521 -6.584 -12.858) 14.526 13.630 ( 3.223 5.382 -0.105) 6.274 13.739 ( 1.705 4.355 -0.739) 4.735 13.762 ( 6.101 6.821 -0.899) 9.195 14.143 ( -1.675 -0.342 -3.066) 3.510 14.168 ( 0.341 -1.303 0.117) 1.352 14.273 ( 1.055 0.518 1.338) 1.781 14.317 ( 0.842 0.238 1.227) 1.508 14.376 ( 0.494 1.481 -0.106) 1.565 14.881 ( 2.993 2.875 11.899) 12.602 14.938 ( -0.625 -2.279 4.855) 5.400 15.245 ( 1.971 -6.594 5.894) 9.061 15.549 ( -0.371 -6.143 10.453) 12.130 18.723 ( 8.055 0.960 9.933) 12.824 19.104 ( -5.355 -0.559 -6.196) 8.208 19.189 ( -2.711 -5.621 -5.977) 8.641 19.620 ( -5.576 -4.973 -4.734) 8.845 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 12.508 5.489 8.586) 16.134 2.375 ( 14.883 3.037 7.736) 17.046 2.618 ( -3.415 -6.374 -4.410) 8.470 2.715 ( -8.310 -7.328 -2.601) 11.381 2.834 ( -3.221 0.529 -8.615) 9.213 2.986 ( -1.735 -7.967 -2.616) 8.563 3.117 ( -5.113 -0.027 -4.388) 6.738 3.246 ( -7.278 2.630 -2.951) 8.282 3.387 ( -0.884 4.412 0.984) 4.606 3.536 ( -0.950 -4.362 -6.665) 8.021 3.830 ( 5.618 -4.769 9.417) 11.958 4.046 ( -4.505 -9.042 3.134) 10.577 5.182 ( 8.173 19.340 2.908) 21.197 5.538 ( 1.132 15.720 6.425) 17.020 5.730 ( 14.639 3.534 -3.044) 15.364 5.979 ( 16.306 -1.029 4.913) 17.061 6.215 ( 4.393 -3.607 -6.501) 8.635 6.760 ( 7.039 -0.952 6.789) 9.825 6.780 ( -1.663 7.915 3.975) 9.012 6.923 ( 8.652 2.234 -0.341) 8.942 7.109 ( 4.770 -0.207 -10.243) 11.301 7.478 ( -4.917 -1.722 0.282) 5.218 7.715 ( -20.098 1.116 -6.429) 21.131 7.826 ( -12.780 6.438 -10.597) 17.806 8.030 ( -0.133 5.344 -4.909) 7.258 8.334 ( -12.970 -0.821 -17.897) 22.118 8.550 ( 2.573 -0.898 -6.896) 7.415 8.838 ( 5.394 11.643 -4.612) 13.635 9.127 ( -8.646 -2.573 5.654) 10.646 9.403 ( -7.302 -0.927 -3.659) 8.220 9.637 ( -2.559 -1.893 -0.579) 3.236 9.855 ( 13.995 12.192 4.017) 18.991 10.043 ( -0.284 -6.272 -12.239) 13.756 10.376 ( -2.548 3.342 2.710) 5.001 10.678 ( 6.325 5.450 5.651) 10.082 10.798 ( 10.150 -2.297 9.631) 14.180 10.911 ( 7.410 1.731 4.133) 8.659 11.213 ( 0.764 -7.062 4.021) 8.162 11.268 ( 3.114 -2.313 -6.080) 7.212 11.366 ( 3.946 -1.212 3.671) 5.525 11.830 ( -14.315 0.989 -6.015) 15.559 12.032 ( -11.130 -3.344 -1.975) 11.788 12.067 ( -1.401 -6.301 0.961) 6.526 12.377 ( -3.663 -8.071 -7.848) 11.838 13.683 ( 2.428 5.420 -6.457) 8.773 13.794 ( 2.577 2.899 -3.654) 5.329 13.886 ( 6.710 5.737 -4.110) 9.738 14.114 ( -0.596 1.248 -1.737) 2.220 14.168 ( -0.748 -2.487 -0.041) 2.597 14.284 ( -0.378 0.771 -0.678) 1.094 14.333 ( 0.491 0.754 2.398) 2.562 14.359 ( -2.056 1.115 0.530) 2.398 14.927 ( 0.890 -1.145 2.608) 2.984 14.964 ( 4.917 0.492 6.122) 7.867 15.262 ( 0.709 -4.730 10.164) 11.233 15.544 ( -1.586 -6.854 15.005) 16.572 18.901 ( 10.078 -0.885 4.741) 11.173 19.011 ( -3.435 0.875 -10.048) 10.655 19.116 ( -4.687 -4.168 -8.589) 10.636 19.489 ( -8.032 -4.635 -5.219) 10.641 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 11.253 -2.257 2.937) 11.847 2.491 ( -7.925 -6.544 -1.746) 10.425 2.598 ( 4.367 -1.169 0.910) 4.611 2.631 ( 0.652 -0.282 -6.677) 6.715 2.794 ( 0.351 -1.188 -7.712) 7.810 2.895 ( -7.589 -0.153 -5.447) 9.342 3.076 ( 2.036 2.281 0.934) 3.197 3.148 ( -3.918 1.134 1.151) 4.238 3.391 ( 2.103 -0.250 -1.003) 2.343 3.468 ( -5.084 -3.312 -4.133) 7.342 3.901 ( 4.179 -11.106 8.358) 14.515 3.987 ( -3.867 -12.134 7.479) 14.769 5.343 ( 8.317 20.250 2.679) 22.055 5.486 ( -5.922 20.127 3.704) 21.305 6.050 ( 15.490 -1.737 -3.624) 16.003 6.215 ( -0.142 -3.974 -0.554) 4.015 6.378 ( 17.759 3.788 6.938) 19.438 6.677 ( -10.545 7.269 9.870) 16.169 6.881 ( 8.572 0.288 -0.798) 8.614 7.088 ( 2.629 5.238 -15.106) 16.203 7.171 ( -2.067 -3.849 -4.293) 6.125 7.350 ( -11.369 0.655 -12.718) 17.072 7.391 ( -0.014 -0.042 -9.187) 9.187 7.546 ( -13.370 5.318 -14.733) 20.593 8.050 ( 2.381 5.278 -9.607) 11.217 8.135 ( -6.920 4.151 -15.502) 17.477 8.698 ( 10.985 -0.182 1.451) 11.082 8.919 ( -8.407 2.501 3.969) 9.628 8.975 ( 4.759 5.963 -0.923) 7.685 9.165 ( -12.945 6.198 -2.113) 14.507 9.769 ( 11.136 -7.145 -5.351) 14.273 9.964 ( -7.651 -7.987 -8.671) 14.054 10.119 ( 11.889 9.457 2.269) 15.360 10.295 ( -6.172 6.411 1.936) 9.107 10.805 ( 6.105 6.862 9.226) 13.019 10.893 ( -1.945 3.898 10.711) 11.564 11.046 ( 8.971 -5.784 4.254) 11.490 11.194 ( -4.845 -9.408 5.971) 12.151 11.319 ( 5.661 0.877 -8.396) 10.164 11.494 ( -3.045 -1.151 -4.680) 5.701 11.571 ( 1.189 -0.699 2.903) 3.214 11.797 ( -13.059 -2.983 1.681) 13.501 12.141 ( 6.728 -7.422 2.015) 10.218 12.276 ( -6.625 -8.103 -1.645) 10.596 13.736 ( 3.233 4.797 -9.256) 10.915 13.795 ( -2.258 3.684 -8.900) 9.893 14.014 ( 6.256 1.203 -5.081) 8.149 14.115 ( -3.576 -2.274 -2.790) 5.074 14.152 ( 3.236 1.653 0.852) 3.733 14.237 ( -4.353 2.652 0.269) 5.104 14.330 ( -0.075 0.445 1.921) 1.973 14.336 ( -0.365 1.098 2.015) 2.324 14.974 ( 3.425 -0.402 -0.262) 3.458 15.021 ( -0.259 -0.724 -2.185) 2.317 15.323 ( 6.370 -4.544 18.700) 20.271 15.463 ( -6.659 -6.199 18.027) 20.192 18.976 ( 0.743 0.027 -12.114) 12.137 19.025 ( -4.005 -1.885 -11.146) 11.993 19.113 ( 10.708 -2.333 -0.284) 10.962 19.315 ( -9.965 -3.806 -3.783) 11.318 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 0.000 15.421 16.876) 22.860 1.985 ( 0.000 21.966 15.011) 26.606 2.568 ( 0.000 -12.220 -4.030) 12.867 2.765 ( 0.000 -3.833 2.152) 4.395 2.814 ( 0.000 -7.774 -4.634) 9.050 2.879 ( 0.000 -14.574 2.996) 14.879 3.108 ( 0.000 7.785 -3.687) 8.614 3.395 ( 0.000 2.043 -0.117) 2.046 3.566 ( 0.000 4.665 -8.538) 9.729 3.693 ( 0.000 8.444 -4.011) 9.348 3.752 ( 0.000 2.331 -19.931) 20.066 4.225 ( 0.000 -13.337 -6.101) 14.666 5.183 ( 0.000 14.727 3.980) 15.255 5.500 ( 0.000 6.369 17.254) 18.393 5.682 ( 0.000 -3.161 -0.888) 3.283 5.699 ( 0.000 3.504 6.655) 7.521 6.019 ( 0.000 -1.706 -1.207) 2.090 6.047 ( 0.000 -5.478 -0.108) 5.479 6.436 ( 0.000 10.704 9.015) 13.995 6.937 ( 0.000 -7.633 9.722) 12.361 7.558 ( 0.000 9.153 3.042) 9.646 7.647 ( 0.000 21.256 3.813) 21.595 7.742 ( 0.000 -9.453 -8.759) 12.887 8.112 ( 0.000 4.536 0.390) 4.553 8.150 ( 0.000 -3.448 -9.998) 10.576 8.644 ( 0.000 -1.612 -8.673) 8.822 8.763 ( 0.000 8.280 15.430) 17.511 8.939 ( 0.000 3.925 9.721) 10.484 9.336 ( 0.000 -6.979 3.564) 7.836 9.513 ( 0.000 -11.442 -2.143) 11.641 9.843 ( 0.000 -7.262 11.864) 13.910 9.847 ( 0.000 -4.222 9.020) 9.959 10.022 ( 0.000 5.587 -15.202) 16.196 10.203 ( 0.000 -1.298 -8.157) 8.260 10.342 ( 0.000 5.400 3.439) 6.402 10.584 ( 0.000 -4.096 -4.822) 6.327 10.705 ( 0.000 4.271 -6.546) 7.816 11.019 ( 0.000 -9.631 -5.461) 11.072 11.120 ( 0.000 7.631 7.818) 10.924 11.265 ( 0.000 2.614 -10.885) 11.194 12.091 ( 0.000 1.439 -10.786) 10.882 12.263 ( 0.000 -7.445 -7.441) 10.526 12.347 ( 0.000 2.092 -17.380) 17.505 12.555 ( 0.000 -6.150 -8.797) 10.733 13.729 ( 0.000 8.513 2.319) 8.823 13.743 ( 0.000 7.891 1.711) 8.074 13.839 ( 0.000 3.410 4.375) 5.547 14.052 ( 0.000 -5.150 -1.572) 5.384 14.142 ( 0.000 -1.064 -1.684) 1.992 14.283 ( 0.000 -4.311 -1.304) 4.504 14.308 ( 0.000 3.239 3.909) 5.077 14.349 ( 0.000 2.001 -1.971) 2.809 14.899 ( 0.000 0.045 2.946) 2.946 14.973 ( 0.000 8.367 18.240) 20.067 14.977 ( 0.000 -6.616 6.890) 9.552 15.440 ( 0.000 -12.052 11.703) 16.799 18.645 ( 0.000 5.057 9.297) 10.583 18.939 ( 0.000 -9.644 2.915) 10.075 19.325 ( 0.000 4.085 -3.600) 5.445 19.593 ( 0.000 -7.540 -3.399) 8.270 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 7.071 12.307 16.184) 21.527 2.049 ( 5.646 20.697 13.268) 25.225 2.558 ( -1.184 -11.242 -1.442) 11.395 2.780 ( 0.526 -5.520 -3.164) 6.384 2.808 ( -0.594 -7.416 -3.290) 8.134 2.914 ( 3.403 -12.464 0.829) 12.946 3.060 ( -4.490 5.213 0.348) 6.889 3.360 ( -4.339 -4.506 -2.176) 6.623 3.557 ( -0.285 8.398 -8.493) 11.948 3.666 ( -1.682 6.961 -8.271) 10.940 3.762 ( 0.221 5.159 -13.115) 14.095 4.173 ( -5.309 -11.784 -5.480) 14.038 5.248 ( 6.830 13.349 4.293) 15.597 5.513 ( 0.521 0.616 15.576) 15.597 5.629 ( -0.544 9.639 7.093) 11.980 5.726 ( 2.007 4.738 1.704) 5.420 6.028 ( 1.033 -2.444 -7.539) 7.992 6.181 ( 12.202 -9.293 1.116) 15.379 6.521 ( 7.696 8.693 10.430) 15.607 6.949 ( 0.868 -7.667 7.926) 11.062 7.470 ( -8.905 19.104 -2.686) 21.248 7.596 ( -0.193 -1.219 5.333) 5.474 7.860 ( 6.521 1.656 -4.684) 8.198 8.067 ( -2.358 7.009 -0.199) 7.397 8.173 ( -0.046 -4.463 -5.980) 7.462 8.531 ( -7.988 0.157 -5.489) 9.693 8.786 ( 1.789 8.102 6.214) 10.366 8.995 ( 2.418 -1.460 9.466) 9.879 9.390 ( 4.670 -1.901 3.454) 6.112 9.507 ( -9.246 -6.798 -6.560) 13.218 9.695 ( -3.521 -2.801 -0.035) 4.499 9.809 ( -4.535 -1.542 -3.045) 5.676 10.011 ( 0.013 2.611 -6.869) 7.348 10.173 ( 1.873 -5.117 4.454) 7.038 10.502 ( 9.810 3.542 7.066) 12.598 10.617 ( 4.409 -1.966 -3.108) 5.741 10.697 ( -1.160 4.099 -5.846) 7.233 11.013 ( -0.879 -10.899 -2.115) 11.137 11.183 ( 4.925 5.127 5.304) 8.870 11.259 ( 0.186 4.467 -8.297) 9.425 12.056 ( -3.115 1.326 -8.926) 9.546 12.251 ( -1.842 -7.141 -8.991) 11.628 12.293 ( -5.238 -0.415 -16.586) 17.399 12.450 ( -10.196 -6.012 -8.742) 14.715 13.740 ( 1.855 9.040 3.046) 9.718 13.789 ( 2.997 6.208 -2.138) 7.218 13.851 ( 1.979 5.823 4.163) 7.427 14.070 ( 1.650 -5.086 -0.921) 5.426 14.144 ( 0.271 -0.690 -2.222) 2.343 14.276 ( -0.141 -1.404 0.896) 1.671 14.334 ( 0.568 1.666 0.421) 1.809 14.367 ( 2.483 1.346 -1.065) 3.019 14.898 ( -0.291 -1.309 3.492) 3.740 14.961 ( -0.312 4.122 12.493) 13.159 15.018 ( 3.196 -4.166 12.049) 13.143 15.410 ( -2.362 -10.784 11.758) 16.128 18.674 ( 3.002 4.447 8.621) 10.154 18.957 ( 1.435 -9.626 1.711) 9.882 19.290 ( -3.527 4.253 -4.744) 7.282 19.564 ( -2.950 -7.637 -4.084) 9.149 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 6.369 12.541 11.501) 18.169 2.188 ( 9.695 9.167 12.689) 18.413 2.525 ( -1.791 -7.480 2.617) 8.124 2.739 ( -4.978 -3.474 -4.100) 7.325 2.808 ( 0.304 -7.838 -3.988) 8.799 2.935 ( -3.676 2.245 -9.548) 10.475 3.005 ( 1.143 -12.568 6.486) 14.189 3.250 ( -5.704 -9.145 -2.475) 11.058 3.537 ( -2.229 7.790 -7.965) 11.362 3.628 ( -3.610 4.959 -10.373) 12.050 3.773 ( 1.453 5.041 -4.039) 6.621 4.030 ( -9.025 -8.541 -3.926) 13.031 5.428 ( 10.673 11.717 4.065) 16.362 5.595 ( 10.267 3.299 8.874) 13.966 5.621 ( 1.307 7.859 6.927) 10.557 5.861 ( 9.898 12.160 2.853) 15.937 6.072 ( 3.711 -2.293 -9.040) 10.038 6.449 ( 14.656 -10.496 3.383) 18.341 6.688 ( 8.971 5.527 8.068) 13.271 6.953 ( -0.507 -5.514 0.011) 5.537 7.306 ( -7.200 15.683 -0.806) 17.275 7.572 ( -3.849 -0.829 2.977) 4.936 7.922 ( -1.000 -1.380 -3.756) 4.124 8.030 ( -3.984 5.301 -4.577) 8.057 8.167 ( 3.016 3.159 4.238) 6.086 8.398 ( -5.754 0.750 -12.611) 13.882 8.765 ( -8.443 4.993 4.677) 10.867 9.002 ( 0.380 2.405 -8.533) 8.873 9.209 ( -10.977 0.348 -5.457) 12.264 9.405 ( -5.463 -7.952 0.562) 9.664 9.726 ( -2.368 0.942 -2.176) 3.351 9.815 ( 9.492 3.163 -10.241) 14.317 10.033 ( 1.485 3.388 0.119) 3.701 10.290 ( 10.204 -4.958 10.980) 15.789 10.620 ( -0.445 2.612 3.830) 4.658 10.703 ( 5.961 4.018 1.907) 7.438 10.766 ( 9.656 -0.554 1.174) 9.742 10.984 ( -1.728 -12.494 3.652) 13.132 11.239 ( 2.019 4.046 -3.559) 5.754 11.314 ( 3.909 2.555 2.539) 5.316 11.983 ( -4.505 0.796 -6.615) 8.043 12.145 ( -8.741 -2.862 -9.701) 13.368 12.158 ( -12.809 -4.944 -9.025) 16.431 12.245 ( -6.203 -9.374 -12.335) 16.688 13.790 ( 2.591 8.779 -0.761) 9.185 13.831 ( 2.158 4.886 -1.313) 5.501 13.920 ( 4.069 5.831 -0.567) 7.133 14.104 ( 1.481 -3.836 0.423) 4.134 14.150 ( 0.250 0.908 -3.756) 3.873 14.278 ( 0.360 -0.719 -0.576) 0.989 14.340 ( 0.625 2.079 1.571) 2.680 14.403 ( 0.501 0.736 -0.609) 1.078 14.887 ( -0.402 -1.868 5.360) 5.691 14.963 ( 0.663 3.361 9.308) 9.919 15.087 ( 3.593 -5.838 12.297) 14.079 15.377 ( -0.881 -9.736 12.014) 15.489 18.758 ( 5.709 2.575 6.233) 8.837 18.976 ( 0.333 -8.025 -1.167) 8.117 19.201 ( -5.312 4.294 -7.429) 10.092 19.483 ( -5.425 -7.714 -5.562) 10.949 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 4.093 9.260 7.666) 12.699 2.368 ( 7.716 -2.554 9.106) 12.206 2.501 ( -2.039 -3.463 5.612) 6.903 2.632 ( -3.417 -0.925 -2.063) 4.097 2.793 ( -2.202 -6.091 -4.054) 7.641 2.874 ( -1.705 1.616 -7.735) 8.084 3.029 ( 1.438 -8.854 -1.107) 9.038 3.166 ( -3.240 -9.991 -0.864) 10.539 3.481 ( -3.410 4.077 -3.964) 6.630 3.534 ( -5.191 4.855 -7.139) 10.074 3.760 ( -4.071 -2.305 -0.704) 4.731 3.868 ( -6.559 -7.058 -2.173) 9.877 5.622 ( 8.541 16.796 3.586) 19.181 5.726 ( 11.075 4.861 2.161) 12.286 5.886 ( 14.405 4.856 6.611) 16.576 6.046 ( 10.366 12.298 -0.355) 16.088 6.166 ( 6.093 -1.090 -4.081) 7.414 6.707 ( 11.284 -6.857 8.283) 15.587 6.858 ( 8.554 1.669 -3.163) 9.272 6.937 ( -1.471 -0.976 -6.420) 6.659 7.214 ( -1.856 7.917 -0.626) 8.156 7.437 ( -9.039 -2.668 1.319) 9.517 7.754 ( -15.249 3.279 -13.608) 20.699 7.922 ( -10.568 1.614 -15.457) 18.794 8.210 ( -0.663 9.585 -3.648) 10.277 8.381 ( 3.405 6.317 3.074) 7.807 8.532 ( -6.488 0.917 -8.595) 10.807 9.022 ( -5.991 -7.136 4.002) 10.141 9.090 ( 3.150 9.939 -6.945) 12.528 9.379 ( 2.240 -2.782 -3.200) 4.795 9.616 ( -6.379 1.762 -3.072) 7.297 9.910 ( -2.815 -6.615 -10.558) 12.773 10.143 ( 10.277 14.020 8.168) 19.206 10.469 ( 2.843 4.644 7.519) 9.284 10.622 ( 6.496 -6.387 3.535) 9.772 10.865 ( 7.634 1.630 4.859) 9.195 10.927 ( 5.876 -1.254 9.335) 11.102 10.971 ( 2.231 -8.998 4.163) 10.162 11.312 ( 6.275 3.389 -4.199) 8.276 11.357 ( 0.396 1.921 1.758) 2.634 11.847 ( -16.170 -0.100 -7.249) 17.720 11.909 ( -3.041 -6.653 -3.818) 8.251 11.963 ( -10.449 -2.784 -5.353) 12.066 12.155 ( -4.856 -12.228 -9.763) 16.384 13.823 ( 1.416 6.991 -5.572) 9.051 13.883 ( 2.281 5.183 -2.546) 6.209 13.981 ( 2.212 1.909 -3.154) 4.299 14.108 ( -1.282 -3.334 -1.705) 3.958 14.163 ( 1.516 3.938 -1.835) 4.602 14.293 ( 1.218 -0.208 -0.749) 1.445 14.351 ( -0.174 1.163 2.051) 2.364 14.384 ( -2.006 0.807 0.462) 2.211 14.911 ( 3.209 0.297 5.825) 6.657 14.988 ( 1.836 1.419 5.254) 5.743 15.145 ( 2.526 -5.012 13.021) 14.179 15.358 ( -1.834 -10.144 13.238) 16.778 18.887 ( 7.530 -0.208 2.128) 7.827 18.972 ( -0.385 -4.255 -5.093) 6.648 19.100 ( -4.894 3.378 -9.722) 11.397 19.360 ( -7.229 -7.270 -6.453) 12.114 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 3.737 2.814 5.060) 6.891 2.401 ( -5.856 -1.311 3.242) 6.821 2.498 ( 6.061 -5.445 4.459) 9.287 2.602 ( -3.671 -5.277 2.777) 7.003 2.787 ( 3.055 1.578 -6.271) 7.152 2.848 ( -2.049 -0.008 -5.645) 6.005 3.070 ( 2.652 -6.075 0.385) 6.640 3.116 ( -2.161 -7.141 -0.578) 7.483 3.420 ( -1.901 3.304 -1.650) 4.153 3.443 ( -3.988 4.908 -4.200) 7.591 3.700 ( 0.260 -7.851 0.186) 7.858 3.762 ( -5.036 -8.661 -0.480) 10.030 5.776 ( 7.931 17.862 3.493) 19.853 5.891 ( -1.266 15.456 6.317) 16.745 6.043 ( 10.014 1.085 -1.225) 10.147 6.182 ( -1.443 -0.188 1.695) 2.234 6.434 ( 20.894 4.212 1.868) 21.396 6.780 ( -13.144 4.235 1.961) 13.948 6.899 ( 9.526 -3.406 -1.870) 10.288 7.021 ( 2.431 -7.764 -6.372) 10.334 7.237 ( 1.480 5.848 -11.808) 13.259 7.319 ( -0.562 -0.912 -8.866) 8.931 7.451 ( -9.889 4.447 -17.507) 20.592 7.618 ( -17.034 0.284 -22.814) 28.473 8.243 ( 3.398 12.638 -1.700) 13.197 8.318 ( -4.515 13.689 -3.562) 14.848 8.662 ( 11.439 -4.015 4.560) 12.953 8.865 ( -9.290 -6.242 4.965) 12.244 9.199 ( 6.785 11.898 -4.377) 14.379 9.343 ( -7.205 10.079 -3.020) 12.752 9.618 ( 7.560 -7.292 -4.561) 11.451 9.792 ( -8.638 -8.459 -6.384) 13.671 10.318 ( 7.404 9.751 7.492) 14.354 10.429 ( -4.232 6.533 6.999) 10.468 10.800 ( 7.578 -10.614 5.758) 14.256 10.883 ( -2.229 -12.876 8.341) 15.503 11.034 ( 4.848 7.075 5.958) 10.443 11.082 ( 3.926 8.125 6.554) 11.153 11.348 ( 2.811 1.246 -5.883) 6.638 11.499 ( 11.729 -0.619 -0.769) 11.771 11.543 ( -14.388 0.818 -6.291) 15.725 11.739 ( -12.401 -1.412 -3.343) 12.921 11.931 ( 4.525 -11.901 -1.712) 12.846 12.045 ( -6.398 -13.107 -4.618) 15.299 13.857 ( 2.089 6.029 -7.170) 9.598 13.893 ( -1.145 5.238 -6.580) 8.488 14.017 ( 2.057 -1.151 -4.093) 4.723 14.065 ( -2.728 -2.589 -3.606) 5.210 14.217 ( 3.917 4.156 0.919) 5.784 14.293 ( -3.131 2.618 1.109) 4.229 14.335 ( 0.805 -0.300 1.045) 1.353 14.357 ( -1.071 0.532 1.089) 1.618 14.985 ( 3.417 2.012 3.826) 5.510 15.016 ( 0.346 0.726 2.210) 2.352 15.202 ( 4.000 -6.378 15.175) 16.940 15.294 ( -4.708 -9.309 14.704) 18.028 18.974 ( 1.037 -0.361 -8.729) 8.798 19.010 ( -1.203 1.151 -8.834) 8.990 19.054 ( 6.347 -2.734 -3.788) 7.881 19.210 ( -8.265 -5.869 -5.476) 11.522 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 0.000 -11.306 5.240) 12.461 2.224 ( 0.000 11.306 5.240) 12.461 2.502 ( 0.000 -17.570 7.502) 19.104 2.502 ( 0.000 17.570 7.502) 19.104 2.721 ( 0.000 -0.646 -4.903) 4.945 2.721 ( 0.000 0.646 -4.903) 4.945 3.286 ( 0.000 -8.631 -2.640) 9.026 3.286 ( 0.000 8.631 -2.640) 9.026 3.721 ( 0.000 -5.656 -16.587) 17.525 3.721 ( 0.000 5.656 -16.587) 17.525 3.939 ( 0.000 -13.591 -5.531) 14.673 3.939 ( 0.000 13.591 -5.531) 14.673 5.421 ( 0.000 -9.138 11.351) 14.573 5.421 ( 0.000 9.138 11.351) 14.573 5.756 ( 0.000 -3.048 13.115) 13.464 5.756 ( 0.000 3.048 13.115) 13.464 5.975 ( 0.000 -0.777 -10.873) 10.901 5.975 ( 0.000 0.777 -10.873) 10.901 6.704 ( 0.000 -13.718 14.234) 19.769 6.704 ( 0.000 13.718 14.234) 19.769 7.598 ( 0.000 -3.909 -0.274) 3.918 7.598 ( 0.000 3.909 -0.274) 3.918 8.056 ( 0.000 -7.103 -5.876) 9.219 8.056 ( 0.000 7.103 -5.876) 9.219 8.389 ( 0.000 -20.892 -2.622) 21.056 8.389 ( 0.000 20.892 -2.622) 21.056 8.923 ( 0.000 -5.749 12.464) 13.726 8.923 ( 0.000 5.749 12.464) 13.726 9.317 ( 0.000 -5.702 -1.220) 5.831 9.317 ( 0.000 5.702 -1.220) 5.831 9.778 ( 0.000 -1.213 10.762) 10.830 9.778 ( 0.000 1.213 10.762) 10.830 10.136 ( 0.000 -4.819 -11.719) 12.671 10.136 ( 0.000 4.819 -11.719) 12.671 10.471 ( 0.000 -6.386 -0.948) 6.456 10.471 ( 0.000 6.386 -0.948) 6.456 10.821 ( 0.000 -7.496 -7.435) 10.558 10.821 ( 0.000 7.496 -7.435) 10.558 11.259 ( 0.000 -4.319 1.837) 4.694 11.259 ( 0.000 4.319 1.837) 4.694 12.142 ( 0.000 -3.875 -9.602) 10.354 12.142 ( 0.000 3.875 -9.602) 10.354 12.425 ( 0.000 -5.413 -13.454) 14.502 12.425 ( 0.000 5.413 -13.454) 14.502 13.856 ( 0.000 -2.085 0.381) 2.119 13.856 ( 0.000 2.085 0.381) 2.119 13.928 ( 0.000 -6.834 1.590) 7.016 13.928 ( 0.000 6.834 1.590) 7.016 14.168 ( 0.000 -4.805 -1.370) 4.997 14.168 ( 0.000 4.805 -1.370) 4.997 14.360 ( 0.000 -1.196 0.327) 1.240 14.360 ( 0.000 1.196 0.327) 1.240 14.895 ( 0.000 -0.961 4.227) 4.335 14.895 ( 0.000 0.961 4.227) 4.335 15.186 ( 0.000 -11.724 17.924) 21.418 15.186 ( 0.000 11.724 17.924) 21.418 18.769 ( 0.000 -6.905 4.981) 8.514 18.769 ( 0.000 6.905 4.981) 8.514 19.439 ( 0.000 -6.732 -3.735) 7.699 19.439 ( 0.000 6.732 -3.735) 7.699 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 1.676 -10.082 5.926) 11.814 2.241 ( 1.676 10.082 5.926) 11.814 2.545 ( 3.691 -17.156 6.860) 18.841 2.545 ( 3.691 17.156 6.860) 18.841 2.731 ( 0.798 -0.768 -4.522) 4.655 2.731 ( 0.798 0.768 -4.522) 4.655 3.213 ( -6.930 -8.248 -2.395) 11.036 3.213 ( -6.930 8.248 -2.395) 11.036 3.710 ( -1.270 -3.696 -16.310) 16.771 3.710 ( -1.270 3.696 -16.310) 16.771 3.928 ( -1.395 -11.050 -5.276) 12.324 3.928 ( -1.395 11.050 -5.276) 12.324 5.430 ( 2.087 -6.292 11.616) 13.374 5.430 ( 2.087 6.292 11.616) 13.374 5.827 ( 5.357 -2.316 8.607) 10.399 5.827 ( 5.357 2.316 8.607) 10.399 6.008 ( 4.997 -4.492 -7.787) 10.285 6.008 ( 4.997 4.492 -7.787) 10.285 6.741 ( 3.480 -11.600 12.763) 17.595 6.741 ( 3.480 11.600 12.763) 17.595 7.580 ( -1.961 -1.292 0.292) 2.367 7.580 ( -1.961 1.292 0.292) 2.367 8.028 ( -2.771 -7.514 -5.145) 9.520 8.028 ( -2.771 7.514 -5.145) 9.520 8.382 ( -0.602 -15.796 -3.142) 16.117 8.382 ( -0.602 15.796 -3.142) 16.117 8.918 ( 0.432 -5.592 9.460) 10.998 8.918 ( 0.432 5.592 9.460) 10.998 9.365 ( 0.003 -3.816 -1.092) 3.970 9.365 ( 0.003 3.816 -1.092) 3.970 9.751 ( -0.387 -4.365 -2.174) 4.892 9.751 ( -0.387 4.365 -2.174) 4.892 10.082 ( -1.951 -3.884 -2.262) 4.900 10.082 ( -1.951 3.884 -2.262) 4.900 10.564 ( 7.719 -2.702 1.887) 8.393 10.564 ( 7.719 2.702 1.887) 8.393 10.810 ( -1.366 -7.421 -4.943) 9.021 10.810 ( -1.366 7.421 -4.943) 9.021 11.281 ( 1.958 -2.903 1.828) 3.950 11.281 ( 1.958 2.903 1.828) 3.950 12.118 ( -2.430 -4.841 -10.013) 11.384 12.118 ( -2.430 4.841 -10.013) 11.384 12.335 ( -8.830 -4.237 -12.893) 16.191 12.335 ( -8.830 4.237 -12.893) 16.191 13.875 ( 1.685 -1.015 -1.011) 2.212 13.875 ( 1.685 1.015 -1.011) 2.212 13.952 ( 2.182 -5.731 1.943) 6.433 13.952 ( 2.182 5.731 1.943) 6.433 14.189 ( 1.779 -5.230 -1.758) 5.798 14.189 ( 1.779 5.230 -1.758) 5.798 14.372 ( 1.135 -1.199 0.075) 1.653 14.372 ( 1.135 1.199 0.075) 1.653 14.891 ( -0.215 -1.858 5.025) 5.362 14.891 ( -0.215 1.858 5.025) 5.362 15.178 ( -0.569 -10.871 17.049) 20.228 15.178 ( -0.569 10.871 17.049) 20.228 18.788 ( 1.927 -6.658 4.348) 8.182 18.788 ( 1.927 6.658 4.348) 8.182 19.407 ( -3.201 -6.906 -4.622) 8.905 19.407 ( -3.201 6.906 -4.622) 8.905 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 2.416 -5.351 6.507) 8.764 2.282 ( 2.416 5.351 6.507) 8.764 2.607 ( 1.444 -13.774 7.891) 15.940 2.607 ( 1.444 13.774 7.891) 15.940 2.745 ( 1.179 -4.436 -4.692) 6.564 2.745 ( 1.179 4.436 -4.692) 6.564 3.066 ( -7.102 -7.915 -2.915) 11.026 3.066 ( -7.102 7.915 -2.915) 11.026 3.662 ( -3.966 -2.619 -13.368) 14.188 3.662 ( -3.966 2.619 -13.368) 14.188 3.875 ( -4.393 -5.908 -4.617) 8.691 3.875 ( -4.393 5.908 -4.617) 8.691 5.536 ( 9.156 -3.453 9.000) 13.295 5.536 ( 9.156 3.453 9.000) 13.295 5.918 ( 5.223 -9.186 -0.377) 10.574 5.918 ( 5.223 9.186 -0.377) 10.574 6.193 ( 12.655 -13.695 0.086) 18.647 6.193 ( 12.655 13.695 0.086) 18.647 6.821 ( 4.464 -6.843 6.922) 10.708 6.821 ( 4.464 6.843 6.922) 10.708 7.508 ( -6.107 -5.415 1.450) 8.290 7.508 ( -6.107 5.415 1.450) 8.290 7.968 ( -3.027 -5.216 -5.715) 8.308 7.968 ( -3.027 5.216 -5.715) 8.308 8.368 ( -0.919 -6.889 -4.619) 8.345 8.368 ( -0.919 6.889 -4.619) 8.345 8.911 ( -3.955 -9.116 6.099) 11.659 8.911 ( -3.955 9.116 6.099) 11.659 9.252 ( -5.809 -4.326 -8.501) 11.168 9.252 ( -5.809 4.326 -8.501) 11.168 9.791 ( 0.948 -4.174 -11.005) 11.808 9.791 ( 0.948 4.174 -11.005) 11.808 10.161 ( 10.571 -7.265 9.765) 16.121 10.161 ( 10.571 7.265 9.765) 16.121 10.709 ( 3.497 -4.783 7.583) 9.624 10.709 ( 3.497 4.783 7.583) 9.624 10.785 ( 2.546 -5.057 -2.576) 6.221 10.785 ( 2.546 5.057 -2.576) 6.221 11.321 ( 2.135 -2.832 2.616) 4.407 11.321 ( 2.135 2.832 2.616) 4.407 12.050 ( -5.007 -6.120 -10.347) 13.022 12.050 ( -5.007 6.120 -10.347) 13.022 12.118 ( -12.592 -0.773 -11.255) 16.906 12.118 ( -12.592 0.773 -11.255) 16.906 13.908 ( 1.560 -1.637 -3.405) 4.088 13.908 ( 1.560 1.637 -3.405) 4.088 13.998 ( 2.217 -5.487 1.422) 6.086 13.998 ( 2.217 5.487 1.422) 6.086 14.223 ( 1.622 -4.465 -2.225) 5.246 14.223 ( 1.622 4.465 -2.225) 5.246 14.390 ( 0.318 -2.027 0.110) 2.055 14.390 ( 0.318 2.027 0.110) 2.055 14.900 ( 1.529 -3.786 6.512) 7.687 14.900 ( 1.529 3.786 6.512) 7.687 15.172 ( -0.067 -9.214 14.823) 17.454 15.172 ( -0.067 9.214 14.823) 17.454 18.837 ( 3.040 -5.158 2.212) 6.383 18.837 ( 3.040 5.158 2.212) 6.383 19.323 ( -5.392 -7.123 -6.646) 11.135 19.323 ( -5.392 7.123 -6.646) 11.135 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 2.875 -0.916 5.810) 6.547 2.333 ( 2.875 0.916 5.810) 6.547 2.560 ( -5.289 -6.335 7.392) 11.079 2.560 ( -5.289 6.335 7.392) 11.079 2.810 ( 4.911 -8.847 -2.813) 10.502 2.810 ( 4.911 8.847 -2.813) 10.502 2.969 ( -2.987 -7.281 -3.191) 8.493 2.969 ( -2.987 7.281 -3.191) 8.493 3.570 ( -4.635 -2.769 -8.402) 9.987 3.570 ( -4.635 2.769 -8.402) 9.987 3.758 ( -7.443 -3.185 -3.701) 8.901 3.758 ( -7.443 3.185 -3.701) 8.901 5.759 ( 12.963 -2.529 4.041) 13.812 5.759 ( 12.963 2.529 4.041) 13.812 6.053 ( 8.076 -7.627 1.177) 11.171 6.053 ( 8.076 7.627 1.177) 11.171 6.429 ( 11.161 -17.978 1.417) 21.209 6.429 ( 11.161 17.978 1.417) 21.209 6.905 ( 4.053 -2.270 -4.137) 6.221 6.905 ( 4.053 2.270 -4.137) 6.221 7.354 ( -8.414 -5.397 1.046) 10.051 7.354 ( -8.414 5.397 1.046) 10.051 7.859 ( -11.005 -5.906 -16.715) 20.866 7.859 ( -11.005 5.906 -16.715) 20.866 8.376 ( 3.470 -5.856 -1.011) 6.882 8.376 ( 3.470 5.856 -1.011) 6.882 8.769 ( -7.495 -16.225 3.556) 18.223 8.769 ( -7.495 16.225 3.556) 18.223 9.267 ( 5.513 -7.030 -5.570) 10.528 9.267 ( 5.513 7.030 -5.570) 10.528 9.745 ( -5.249 -8.877 -7.563) 12.789 9.745 ( -5.249 8.877 -7.563) 12.789 10.397 ( 11.255 -9.902 8.450) 17.208 10.397 ( 11.255 9.902 8.450) 17.208 10.665 ( -3.707 -9.542 7.927) 12.947 10.665 ( -3.707 9.542 7.927) 12.947 10.950 ( 10.858 -0.232 2.516) 11.148 10.950 ( 10.858 0.232 2.516) 11.148 11.377 ( 3.894 -2.640 3.212) 5.697 11.377 ( 3.894 2.640 3.212) 5.697 11.846 ( -13.067 -2.713 -10.565) 17.021 11.846 ( -13.067 2.713 -10.565) 17.021 11.954 ( -6.910 -3.955 -7.955) 11.255 11.954 ( -6.910 3.955 -7.955) 11.255 13.933 ( 1.166 -2.967 -4.987) 5.919 13.933 ( 1.166 2.967 -4.987) 5.919 14.022 ( -0.020 -4.633 -1.570) 4.892 14.022 ( -0.020 4.633 -1.570) 4.892 14.254 ( 1.884 -3.675 -0.969) 4.242 14.254 ( 1.884 3.675 -0.969) 4.242 14.380 ( -1.275 -1.159 0.756) 1.882 14.380 ( -1.275 1.159 0.756) 1.882 14.956 ( 4.117 -3.699 7.512) 9.330 14.956 ( 4.117 3.699 7.512) 9.330 15.166 ( -0.919 -6.995 12.287) 14.168 15.166 ( -0.919 6.995 12.287) 14.168 18.903 ( 3.880 -1.989 -1.403) 4.580 18.903 ( 3.880 1.989 -1.403) 4.580 19.209 ( -6.200 -6.667 -8.250) 12.287 19.209 ( -6.200 6.667 -8.250) 12.287 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 3.084 -4.563 5.237) 7.600 2.390 ( 3.084 4.563 5.237) 7.600 2.459 ( -4.488 -6.311 5.886) 9.727 2.459 ( -4.488 6.311 5.886) 9.727 2.894 ( 3.225 -8.365 -1.276) 9.056 2.894 ( 3.225 8.365 -1.276) 9.056 2.933 ( -1.351 -7.346 -2.500) 7.877 2.933 ( -1.351 7.346 -2.500) 7.877 3.527 ( 1.022 -4.266 -4.707) 6.435 3.527 ( 1.022 4.266 -4.707) 6.435 3.612 ( -7.007 -4.884 -3.470) 9.219 3.612 ( -7.007 4.884 -3.470) 9.219 5.996 ( 10.874 -3.622 3.730) 12.053 5.996 ( 10.874 3.622 3.730) 12.053 6.134 ( -1.919 -5.258 5.770) 8.038 6.134 ( -1.919 5.258 5.770) 8.038 6.656 ( 13.579 -15.073 -2.532) 20.445 6.656 ( 13.579 15.073 -2.532) 20.445 6.895 ( -8.102 -6.392 -4.903) 11.425 6.895 ( -8.102 6.392 -4.903) 11.425 7.307 ( 6.704 -1.832 -11.796) 13.691 7.307 ( 6.704 1.832 -11.796) 13.691 7.561 ( -17.107 -5.035 -22.356) 28.597 7.561 ( -17.107 5.035 -22.356) 28.597 8.503 ( 8.201 -10.656 3.660) 13.936 8.503 ( 8.201 10.656 3.660) 13.936 8.646 ( -6.364 -14.440 4.328) 16.363 8.646 ( -6.364 14.440 4.328) 16.363 9.414 ( 9.337 -7.890 -3.993) 12.860 9.414 ( 9.337 7.890 -3.993) 12.860 9.602 ( -9.322 -9.358 -5.059) 14.144 9.602 ( -9.322 9.358 -5.059) 14.144 10.544 ( 4.387 -11.680 8.412) 15.047 10.544 ( 4.387 11.680 8.412) 15.047 10.604 ( -2.711 -10.984 8.965) 14.435 10.604 ( -2.711 10.984 8.965) 14.435 11.184 ( 13.170 -3.619 1.990) 13.802 11.184 ( 13.170 3.619 1.990) 13.802 11.400 ( -5.938 -5.754 2.633) 8.678 11.400 ( -5.938 5.754 2.633) 8.678 11.684 ( 0.271 -10.146 -8.292) 13.106 11.684 ( 0.271 10.146 -8.292) 13.106 11.803 ( -8.474 -7.784 -6.347) 13.141 11.803 ( -8.474 7.784 -6.347) 13.141 13.960 ( 1.796 -3.269 -5.482) 6.630 13.960 ( 1.796 3.269 -5.482) 6.630 13.999 ( -1.973 -3.588 -4.535) 6.110 13.999 ( -1.973 3.588 -4.535) 6.110 14.298 ( 2.542 -2.957 0.747) 3.970 14.298 ( 2.542 2.957 0.747) 3.970 14.345 ( -2.237 -1.662 1.151) 3.015 14.345 ( -2.237 1.662 1.151) 3.015 15.046 ( 4.833 -1.488 8.504) 9.894 15.046 ( 4.833 1.488 8.504) 9.894 15.127 ( -3.266 -3.854 10.108) 11.300 15.127 ( -3.266 3.854 10.108) 11.300 18.988 ( 4.929 -1.817 -5.353) 7.500 18.988 ( 4.929 1.817 -5.353) 7.500 19.092 ( -5.884 -4.924 -7.953) 11.051 19.092 ( -5.884 4.924 -7.953) 11.051 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 0.000 0.000 25.262) 25.262 2.040 ( 0.000 0.000 26.154) 26.154 2.554 ( 0.000 0.000 -12.135) 12.135 2.928 ( 0.000 0.000 -7.051) 7.051 2.942 ( 0.000 0.000 2.324) 2.324 3.135 ( 0.000 0.000 -17.668) 17.668 3.159 ( 0.000 0.000 -11.604) 11.604 3.262 ( 0.000 0.000 5.563) 5.563 3.289 ( 0.000 0.000 -10.244) 10.244 3.518 ( 0.000 0.000 9.616) 9.616 3.622 ( 0.000 0.000 13.446) 13.446 4.473 ( 0.000 0.000 -7.538) 7.538 4.750 ( 0.000 0.000 7.101) 7.101 5.218 ( 0.000 0.000 -1.798) 1.798 5.706 ( 0.000 0.000 -9.106) 9.106 5.779 ( 0.000 0.000 -14.676) 14.676 6.273 ( 0.000 0.000 16.419) 16.419 6.300 ( 0.000 0.000 17.284) 17.284 6.416 ( 0.000 0.000 20.047) 20.047 6.702 ( 0.000 0.000 0.103) 0.103 7.258 ( 0.000 0.000 11.678) 11.678 7.649 ( 0.000 0.000 -23.541) 23.541 7.699 ( 0.000 0.000 -0.659) 0.659 7.942 ( 0.000 0.000 -10.560) 10.560 8.247 ( 0.000 0.000 -8.852) 8.852 8.489 ( 0.000 0.000 26.397) 26.397 8.653 ( 0.000 0.000 -9.519) 9.519 8.802 ( 0.000 0.000 5.825) 5.825 9.517 ( 0.000 0.000 -9.693) 9.693 9.728 ( 0.000 0.000 -14.408) 14.408 9.900 ( 0.000 0.000 -2.034) 2.034 9.957 ( 0.000 0.000 -11.064) 11.064 9.965 ( 0.000 0.000 3.814) 3.814 10.192 ( 0.000 0.000 2.055) 2.055 10.442 ( 0.000 0.000 -1.925) 1.925 10.495 ( 0.000 0.000 9.297) 9.297 10.577 ( 0.000 0.000 -0.114) 0.114 10.818 ( 0.000 0.000 -3.426) 3.426 11.171 ( 0.000 0.000 19.386) 19.386 11.308 ( 0.000 0.000 -1.862) 1.862 11.908 ( 0.000 0.000 -5.127) 5.127 11.980 ( 0.000 0.000 -14.213) 14.213 12.312 ( 0.000 0.000 -12.320) 12.320 12.423 ( 0.000 0.000 -11.741) 11.741 13.565 ( 0.000 0.000 4.277) 4.277 13.657 ( 0.000 0.000 -0.454) 0.454 13.866 ( 0.000 0.000 5.977) 5.977 14.137 ( 0.000 0.000 -1.800) 1.800 14.154 ( 0.000 0.000 -4.456) 4.456 14.176 ( 0.000 0.000 -2.519) 2.519 14.282 ( 0.000 0.000 1.093) 1.093 14.330 ( 0.000 0.000 -0.506) 0.506 14.951 ( 0.000 0.000 8.237) 8.237 15.198 ( 0.000 0.000 18.788) 18.788 15.274 ( 0.000 0.000 0.539) 0.539 15.762 ( 0.000 0.000 0.069) 0.069 18.882 ( 0.000 0.000 18.256) 18.256 19.195 ( 0.000 0.000 -2.373) 2.373 19.240 ( 0.000 0.000 -3.238) 3.238 19.691 ( 0.000 0.000 -6.741) 6.741 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 2.228 0.000 22.431) 22.541 2.113 ( 7.158 0.000 23.249) 24.326 2.564 ( 0.902 0.000 -11.947) 11.981 2.918 ( -3.343 0.000 -1.002) 3.490 2.937 ( -1.066 0.000 -6.498) 6.585 3.127 ( 0.257 0.000 -12.813) 12.815 3.191 ( 2.214 0.000 -10.726) 10.952 3.254 ( -3.769 0.000 -10.112) 10.791 3.272 ( 2.211 0.000 0.769) 2.341 3.457 ( -5.790 0.000 4.547) 7.362 3.684 ( 8.039 0.000 20.567) 22.082 4.415 ( -5.727 0.000 -6.392) 8.583 4.800 ( 4.789 0.000 6.584) 8.142 5.263 ( 4.064 0.000 -2.125) 4.586 5.696 ( -0.279 0.000 -1.848) 1.869 5.828 ( 4.213 0.000 -8.857) 9.808 6.104 ( -7.232 0.000 18.227) 19.609 6.442 ( 3.776 0.000 6.262) 7.313 6.495 ( 10.015 0.000 13.912) 17.142 6.694 ( -0.426 0.000 0.136) 0.447 7.308 ( 3.044 0.000 10.295) 10.735 7.650 ( 0.123 0.000 -21.745) 21.745 7.664 ( -2.958 0.000 0.457) 2.993 8.013 ( 6.523 0.000 -10.163) 12.076 8.218 ( -3.636 0.000 -12.002) 12.540 8.223 ( -16.882 0.000 12.250) 20.858 8.613 ( -3.184 0.000 -3.652) 4.845 8.944 ( -8.028 0.000 1.083) 8.101 9.386 ( -5.327 0.000 -2.908) 6.070 9.514 ( -1.158 0.000 -9.492) 9.563 9.699 ( -13.381 0.000 7.962) 15.571 9.985 ( -4.915 0.000 -5.865) 7.652 10.003 ( -10.055 0.000 -0.557) 10.071 10.266 ( 13.054 0.000 -10.738) 16.903 10.448 ( 2.436 0.000 2.940) 3.818 10.649 ( 5.880 0.000 9.611) 11.267 10.662 ( 8.190 0.000 2.685) 8.619 10.862 ( 7.389 0.000 -5.913) 9.464 11.222 ( 5.254 0.000 15.339) 16.214 11.352 ( 4.073 0.000 1.773) 4.442 11.896 ( -0.982 0.000 -4.537) 4.642 12.033 ( 5.025 0.000 -15.116) 15.929 12.272 ( -3.854 0.000 -11.074) 11.725 12.361 ( -6.385 0.000 -11.232) 12.920 13.560 ( -1.006 0.000 1.850) 2.106 13.655 ( 0.120 0.000 -0.552) 0.565 13.806 ( -3.606 0.000 8.298) 9.048 14.122 ( -1.553 0.000 -3.011) 3.388 14.160 ( 0.936 0.000 -1.739) 1.975 14.221 ( 3.100 0.000 -3.201) 4.456 14.299 ( 1.513 0.000 0.708) 1.671 14.338 ( 0.746 0.000 -0.442) 0.867 14.965 ( 0.841 0.000 6.527) 6.581 15.168 ( -2.556 0.000 10.151) 10.468 15.349 ( 5.761 0.000 6.619) 8.775 15.752 ( 0.270 0.000 2.953) 2.965 18.902 ( 2.017 0.000 16.731) 16.853 19.128 ( -6.677 0.000 -3.120) 7.370 19.214 ( -2.915 0.000 -4.881) 5.685 19.657 ( -3.504 0.000 -6.814) 7.663 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 4.445 0.000 14.786) 15.439 2.282 ( 9.134 0.000 15.051) 17.606 2.572 ( -0.586 0.000 -10.655) 10.671 2.800 ( -8.341 0.000 -6.429) 10.532 2.865 ( -5.317 0.000 -3.030) 6.119 3.148 ( -6.469 0.000 -3.979) 7.595 3.150 ( -5.518 0.000 -7.245) 9.107 3.168 ( 2.828 0.000 -4.073) 4.958 3.339 ( 3.338 0.000 -4.823) 5.865 3.396 ( -0.874 0.000 -2.500) 2.648 3.940 ( 17.561 0.000 18.389) 25.428 4.289 ( -5.822 0.000 -2.021) 6.163 4.907 ( 5.732 0.000 5.128) 7.691 5.337 ( 2.590 0.000 -2.923) 3.906 5.686 ( -0.583 0.000 11.665) 11.680 5.955 ( 9.594 0.000 -6.619) 11.656 6.040 ( 1.137 0.000 15.875) 15.916 6.585 ( 10.958 0.000 -10.640) 15.274 6.640 ( 4.579 0.000 6.793) 8.192 6.720 ( 3.844 0.000 4.544) 5.952 7.276 ( -7.272 0.000 5.556) 9.151 7.618 ( -2.106 0.000 1.631) 2.664 7.647 ( -0.917 0.000 -16.146) 16.172 7.952 ( -11.004 0.000 -0.693) 11.026 7.960 ( -17.424 0.000 -15.084) 23.046 8.248 ( 10.797 0.000 -5.085) 11.935 8.422 ( -33.633 0.000 -17.808) 38.057 8.600 ( 2.919 0.000 2.240) 3.680 9.440 ( -5.221 0.000 -3.360) 6.208 9.482 ( -10.193 0.000 5.301) 11.489 9.602 ( 15.875 0.000 13.904) 21.103 9.808 ( -12.292 0.000 -7.521) 14.410 9.866 ( -3.527 0.000 -5.813) 6.800 10.348 ( -0.681 0.000 -6.799) 6.833 10.587 ( 9.151 0.000 5.410) 10.631 10.746 ( 6.941 0.000 4.256) 8.142 10.852 ( 10.343 0.000 7.271) 12.643 11.017 ( 5.745 0.000 -6.878) 8.962 11.355 ( 7.899 0.000 9.853) 12.629 11.436 ( 3.858 0.000 6.164) 7.272 11.878 ( -1.491 0.000 -2.847) 3.214 12.131 ( 2.114 0.000 -10.325) 10.539 12.178 ( -5.624 0.000 -7.631) 9.479 12.216 ( -4.670 0.000 -12.281) 13.139 13.520 ( -2.689 0.000 -2.383) 3.593 13.660 ( -0.255 0.000 -3.396) 3.405 13.788 ( 2.011 0.000 9.238) 9.455 14.093 ( -0.899 0.000 -0.959) 1.315 14.188 ( 1.797 0.000 -0.426) 1.847 14.270 ( 1.850 0.000 -2.436) 3.059 14.332 ( 1.747 0.000 0.930) 1.980 14.355 ( 0.874 0.000 -0.070) 0.876 14.967 ( -0.647 0.000 2.688) 2.765 15.071 ( -7.494 0.000 1.740) 7.694 15.464 ( 6.318 0.000 12.010) 13.570 15.813 ( 5.444 0.000 7.454) 9.230 18.958 ( 3.748 0.000 12.534) 13.082 18.960 ( -10.055 0.000 -5.501) 11.462 19.119 ( -7.013 0.000 -8.178) 10.773 19.562 ( -6.128 0.000 -6.787) 9.144 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 8.020 0.000 4.709) 9.300 2.402 ( 2.333 0.000 2.165) 3.183 2.535 ( -2.919 0.000 -10.531) 10.928 2.627 ( -9.131 0.000 -8.037) 12.165 2.778 ( -3.256 0.000 -0.729) 3.336 2.997 ( -9.166 0.000 0.407) 9.175 3.084 ( 0.590 0.000 1.279) 1.409 3.229 ( 2.397 0.000 0.727) 2.504 3.355 ( -1.282 0.000 -1.417) 1.910 3.387 ( -0.323 0.000 -10.156) 10.161 4.205 ( 4.574 0.000 9.710) 10.734 4.303 ( 10.479 0.000 10.285) 14.682 5.010 ( 5.169 0.000 2.809) 5.883 5.333 ( -3.085 0.000 -3.248) 4.479 5.726 ( 6.744 0.000 6.944) 9.680 6.157 ( 10.898 0.000 9.755) 14.626 6.183 ( 13.019 0.000 -1.151) 13.069 6.725 ( 5.228 0.000 0.129) 5.230 6.787 ( 1.746 0.000 8.997) 9.165 6.832 ( 13.041 0.000 -15.847) 20.523 7.063 ( -13.674 0.000 -3.183) 14.039 7.482 ( -19.974 0.000 -11.005) 22.805 7.540 ( -15.936 0.000 -7.364) 17.555 7.589 ( -10.201 0.000 3.861) 10.907 7.790 ( -6.315 0.000 -17.536) 18.639 7.879 ( -15.723 0.000 -14.797) 21.591 8.485 ( 12.690 0.000 0.137) 12.691 8.704 ( 7.205 0.000 1.307) 7.322 9.283 ( -10.216 0.000 5.287) 11.503 9.325 ( -10.552 0.000 -1.666) 10.683 9.593 ( -3.959 0.000 -7.095) 8.125 9.851 ( -0.705 0.000 -12.687) 12.707 9.880 ( 12.712 0.000 11.236) 16.966 10.310 ( -3.016 0.000 -2.788) 4.107 10.751 ( 8.038 0.000 7.383) 10.915 10.915 ( 9.820 0.000 0.114) 9.820 11.012 ( 4.962 0.000 5.184) 7.176 11.082 ( 2.201 0.000 -7.417) 7.736 11.469 ( -0.616 0.000 6.212) 6.243 11.517 ( 9.418 0.000 9.860) 13.635 11.761 ( -11.031 0.000 -0.163) 11.032 12.063 ( -6.494 0.000 -2.305) 6.891 12.122 ( 3.324 0.000 -2.253) 4.015 12.263 ( 3.366 0.000 -11.750) 12.223 13.477 ( -1.295 0.000 -5.950) 6.089 13.625 ( -3.433 0.000 -8.235) 8.922 13.869 ( 5.923 0.000 7.709) 9.722 14.104 ( 2.095 0.000 1.655) 2.670 14.218 ( 0.923 0.000 -0.034) 0.923 14.271 ( -2.550 0.000 0.531) 2.605 14.359 ( 0.991 0.000 1.471) 1.773 14.370 ( 0.748 0.000 1.478) 1.657 14.931 ( -5.379 0.000 -3.606) 6.476 14.947 ( -1.398 0.000 -3.006) 3.316 15.599 ( 7.827 0.000 16.522) 18.282 15.905 ( 2.822 0.000 11.339) 11.685 18.781 ( -7.446 0.000 -9.270) 11.890 18.956 ( -9.413 0.000 -11.388) 14.775 19.044 ( 5.176 0.000 6.750) 8.506 19.430 ( -7.368 0.000 -5.964) 9.479 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 9.376 0.000 -6.333) 11.314 2.409 ( 0.526 0.000 -6.041) 6.064 2.467 ( -4.859 0.000 -12.603) 13.507 2.472 ( -6.177 0.000 -8.216) 10.279 2.745 ( 0.214 0.000 3.401) 3.408 2.818 ( -7.804 0.000 4.813) 9.169 3.160 ( 5.478 0.000 5.702) 7.907 3.237 ( -1.864 0.000 4.092) 4.497 3.343 ( 0.389 0.000 -4.261) 4.279 3.365 ( -1.590 0.000 -8.000) 8.156 4.309 ( 6.756 0.000 12.443) 14.159 4.407 ( -1.328 0.000 14.303) 14.364 5.116 ( 5.962 0.000 0.037) 5.962 5.237 ( -6.275 0.000 -2.200) 6.650 5.994 ( 20.302 0.000 -3.920) 20.677 6.332 ( -5.389 0.000 1.812) 5.685 6.438 ( 17.320 0.000 3.996) 17.775 6.723 ( -8.693 0.000 4.348) 9.720 6.798 ( -3.765 0.000 -13.808) 14.312 6.864 ( 8.001 0.000 0.757) 8.037 6.950 ( -10.218 0.000 -14.444) 17.692 7.111 ( -20.184 0.000 -8.195) 21.784 7.240 ( 5.708 0.000 1.089) 5.811 7.426 ( -9.597 0.000 -1.248) 9.677 7.737 ( -0.167 0.000 -16.363) 16.364 7.758 ( -2.408 0.000 -12.361) 12.594 8.726 ( 12.668 0.000 2.743) 12.962 8.857 ( 6.589 0.000 0.819) 6.640 9.052 ( -12.856 0.000 3.821) 13.412 9.093 ( -9.568 0.000 4.071) 10.398 9.661 ( 7.298 0.000 -12.309) 14.310 9.794 ( -5.460 0.000 -15.009) 15.971 10.089 ( 9.047 0.000 6.172) 10.952 10.229 ( -5.643 0.000 1.265) 5.783 10.901 ( 7.435 0.000 6.633) 9.964 11.018 ( -3.850 0.000 4.702) 6.078 11.086 ( 6.651 0.000 -3.879) 7.700 11.126 ( 1.813 0.000 -6.908) 7.142 11.443 ( -0.194 0.000 6.331) 6.334 11.539 ( -10.007 0.000 4.464) 10.958 11.721 ( 11.140 0.000 8.566) 14.053 11.917 ( -8.920 0.000 3.774) 9.686 12.220 ( 5.229 0.000 -2.442) 5.771 12.286 ( -1.195 0.000 -6.271) 6.384 13.482 ( 1.885 0.000 -8.827) 9.026 13.545 ( -4.256 0.000 -10.016) 10.882 14.005 ( 8.019 0.000 5.850) 9.926 14.161 ( 3.263 0.000 1.611) 3.639 14.164 ( -7.889 0.000 3.919) 8.809 14.212 ( -1.649 0.000 0.419) 1.702 14.373 ( 0.582 0.000 2.426) 2.495 14.379 ( 0.077 0.000 2.642) 2.643 14.888 ( 0.405 0.000 -7.475) 7.486 14.915 ( -1.816 0.000 -6.956) 7.189 15.760 ( 8.463 0.000 18.073) 19.957 15.892 ( -4.303 0.000 15.717) 16.295 18.708 ( 0.288 0.000 -12.682) 12.685 18.787 ( -7.304 0.000 -13.374) 15.239 19.155 ( 6.406 0.000 0.929) 6.473 19.288 ( -7.297 0.000 -3.512) 8.098 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 0.000 9.054 22.187) 23.963 2.105 ( 0.000 5.558 21.081) 21.801 2.509 ( 0.000 -3.323 -11.756) 12.217 2.938 ( 0.000 -4.696 -1.771) 5.019 2.941 ( 0.000 -1.818 -9.419) 9.593 3.029 ( 0.000 -2.613 -0.002) 2.613 3.084 ( 0.000 -9.830 -5.559) 11.293 3.218 ( 0.000 1.042 -2.631) 2.829 3.336 ( 0.000 3.852 -8.993) 9.783 3.525 ( 0.000 -2.364 -5.077) 5.600 3.590 ( 0.000 -1.504 11.142) 11.243 4.336 ( 0.000 -11.100 -8.518) 13.992 4.910 ( 0.000 14.103 6.615) 15.577 5.366 ( 0.000 11.466 -1.856) 11.615 5.695 ( 0.000 -1.148 -7.468) 7.556 5.746 ( 0.000 -1.446 -8.784) 8.902 6.277 ( 0.000 -0.422 19.267) 19.272 6.280 ( 0.000 -1.552 18.381) 18.446 6.509 ( 0.000 9.332 20.129) 22.187 6.948 ( 0.000 21.491 -0.655) 21.501 7.255 ( 0.000 0.242 11.704) 11.707 7.597 ( 0.000 -3.775 -19.598) 19.958 7.709 ( 0.000 0.815 0.622) 1.025 7.971 ( 0.000 1.067 -10.804) 10.857 8.298 ( 0.000 4.717 -11.597) 12.520 8.385 ( 0.000 -7.947 17.773) 19.469 8.746 ( 0.000 6.610 -5.751) 8.761 8.907 ( 0.000 8.634 4.692) 9.826 9.506 ( 0.000 -2.097 -8.749) 8.997 9.672 ( 0.000 -14.163 -0.509) 14.172 9.742 ( 0.000 1.760 -8.727) 8.903 9.970 ( 0.000 1.058 2.045) 2.302 10.027 ( 0.000 1.452 -11.101) 11.195 10.138 ( 0.000 -4.777 2.565) 5.422 10.417 ( 0.000 -5.903 7.039) 9.187 10.524 ( 0.000 3.821 -0.963) 3.940 10.597 ( 0.000 1.478 -0.603) 1.596 10.858 ( 0.000 5.223 -7.277) 8.957 11.205 ( 0.000 -9.333 -0.848) 9.372 11.237 ( 0.000 5.141 17.779) 18.508 11.929 ( 0.000 1.544 -2.830) 3.224 11.972 ( 0.000 0.014 -16.106) 16.106 12.236 ( 0.000 -5.319 -10.767) 12.009 12.448 ( 0.000 -0.011 -11.221) 11.221 13.625 ( 0.000 5.366 3.200) 6.247 13.674 ( 0.000 1.836 0.294) 1.859 13.892 ( 0.000 2.752 6.551) 7.105 14.098 ( 0.000 -3.305 -2.839) 4.357 14.136 ( 0.000 -0.665 -1.633) 1.763 14.236 ( 0.000 3.698 -2.971) 4.744 14.303 ( 0.000 1.974 0.792) 2.127 14.320 ( 0.000 -1.132 -0.501) 1.238 14.956 ( 0.000 0.079 5.832) 5.833 15.207 ( 0.000 -5.964 0.850) 6.024 15.227 ( 0.000 3.155 18.474) 18.742 15.727 ( 0.000 -3.304 2.012) 3.869 18.873 ( 0.000 -0.713 16.532) 16.548 19.154 ( 0.000 -7.214 -1.010) 7.284 19.202 ( 0.000 0.831 -3.119) 3.227 19.635 ( 0.000 -5.112 -6.667) 8.401 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 1.956 8.554 18.323) 20.315 2.180 ( 7.042 5.516 19.244) 21.222 2.527 ( 1.682 -2.636 -11.241) 11.668 2.875 ( -5.114 -4.279 -3.858) 7.704 2.900 ( -3.847 -4.971 -3.424) 7.158 3.035 ( -1.284 -9.007 -3.348) 9.694 3.156 ( 6.802 0.056 -2.067) 7.109 3.245 ( 1.774 1.539 -7.396) 7.760 3.332 ( -0.716 2.635 -8.830) 9.242 3.445 ( -6.755 -2.469 -3.252) 7.893 3.641 ( 5.964 -2.788 11.383) 13.149 4.280 ( -5.531 -10.758 -7.493) 14.229 4.972 ( 5.996 15.001 6.362) 17.363 5.419 ( 5.188 12.221 -2.041) 13.433 5.693 ( 0.796 -0.564 -2.869) 3.030 5.793 ( 3.392 -1.401 -1.239) 3.873 6.113 ( -7.565 0.115 16.152) 17.836 6.394 ( 5.444 -2.766 11.327) 12.868 6.602 ( 7.991 8.649 15.036) 19.098 6.924 ( -2.419 20.194 -1.670) 20.407 7.258 ( -0.623 -4.109 10.684) 11.464 7.603 ( -0.758 -1.458 -11.801) 11.915 7.719 ( 1.736 2.733 -4.798) 5.788 7.995 ( 2.399 -1.071 -9.009) 9.384 8.219 ( -10.474 1.977 -10.743) 15.133 8.304 ( -4.615 0.267 8.498) 9.674 8.625 ( -3.871 5.224 -5.607) 8.585 9.038 ( -10.306 6.309 -1.993) 12.247 9.352 ( -0.923 -1.835 -8.310) 8.560 9.594 ( -7.729 -1.867 -0.051) 7.951 9.625 ( -4.493 0.977 4.559) 6.475 9.858 ( -2.345 -8.992 -3.625) 9.975 9.969 ( -9.117 -1.938 -0.051) 9.321 10.342 ( 11.016 4.978 -8.384) 14.711 10.508 ( 4.979 1.039 4.535) 6.814 10.591 ( 6.111 -2.862 4.656) 8.198 10.655 ( 6.702 -0.793 1.997) 7.038 10.890 ( 4.811 4.051 -7.922) 10.115 11.237 ( 3.145 -5.813 5.048) 8.317 11.300 ( 5.429 1.475 11.865) 13.131 11.908 ( -1.821 1.145 -4.190) 4.710 11.995 ( 2.407 -2.779 -14.976) 15.421 12.203 ( -3.240 -5.026 -10.530) 12.110 12.370 ( -7.763 -1.089 -9.978) 12.689 13.620 ( -0.958 5.275 1.078) 5.469 13.681 ( 0.862 2.620 -0.156) 2.763 13.852 ( -2.171 4.315 7.529) 8.946 14.099 ( -0.212 -2.039 -2.840) 3.502 14.151 ( 1.035 -1.202 -0.990) 1.870 14.247 ( 0.910 2.376 -2.596) 3.635 14.315 ( 1.276 1.190 0.720) 1.887 14.335 ( 1.489 0.034 -0.872) 1.726 14.973 ( 1.135 0.196 4.819) 4.954 15.152 ( -3.412 -1.901 6.308) 7.419 15.315 ( 5.794 -1.973 11.285) 12.837 15.714 ( -0.383 -3.611 4.128) 5.498 18.890 ( 1.707 -0.986 15.118) 15.246 19.129 ( -4.130 -4.100 -2.538) 6.349 19.144 ( -4.468 -1.475 -4.015) 6.185 19.600 ( -3.569 -5.190 -6.770) 9.247 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 3.915 7.870 11.091) 14.152 2.340 ( 8.379 4.441 12.202) 15.454 2.554 ( 0.468 -1.099 -9.543) 9.618 2.767 ( -5.656 -4.800 -0.035) 7.418 2.794 ( -6.821 -3.663 -4.906) 9.165 3.007 ( -1.399 -8.615 0.062) 8.728 3.170 ( -7.158 1.146 -3.307) 7.968 3.255 ( -0.769 1.287 -5.919) 6.106 3.337 ( 3.290 -0.468 -7.658) 8.348 3.381 ( -0.387 0.302 -4.253) 4.281 3.831 ( 12.716 -8.386 9.636) 18.025 4.151 ( -6.619 -10.812 -4.033) 13.303 5.112 ( 7.806 17.758 5.824) 20.253 5.533 ( 5.427 15.174 -2.665) 16.334 5.706 ( 0.227 1.924 11.532) 11.693 5.894 ( 7.946 -3.271 1.665) 8.753 6.041 ( 1.379 -0.902 10.343) 10.474 6.550 ( 10.857 -3.123 -6.448) 13.008 6.747 ( 5.907 8.841 10.700) 15.085 6.878 ( -0.957 12.981 -0.511) 13.027 7.197 ( -5.777 -5.452 7.651) 11.029 7.557 ( -3.318 -0.883 -4.041) 5.302 7.743 ( -2.702 4.156 -12.463) 13.413 7.909 ( -17.273 -2.322 -15.770) 23.504 8.034 ( -2.806 4.307 -2.384) 5.667 8.270 ( -1.636 0.438 -1.535) 2.286 8.460 ( -19.932 6.547 -15.668) 26.184 8.715 ( -0.784 8.669 2.627) 9.092 9.404 ( -7.588 -5.339 6.717) 11.454 9.447 ( -4.512 -0.708 -7.476) 8.761 9.646 ( 6.219 0.869 4.551) 7.756 9.768 ( -5.851 -7.147 -4.166) 10.132 9.892 ( 1.360 8.881 0.542) 9.001 10.413 ( -0.143 5.831 -3.597) 6.853 10.633 ( 7.560 0.989 5.435) 9.363 10.715 ( 7.684 -1.248 2.440) 8.158 10.847 ( 11.513 -0.475 5.156) 12.624 11.017 ( 6.042 0.790 -6.745) 9.090 11.305 ( 3.651 -6.600 6.124) 9.715 11.403 ( 4.398 -0.705 9.155) 10.181 11.879 ( -1.275 -0.149 -3.163) 3.414 12.035 ( -0.434 -6.484 -10.923) 12.710 12.133 ( -2.416 -5.352 -10.845) 12.333 12.183 ( -9.754 -3.554 -7.160) 12.611 13.586 ( -2.244 5.814 -2.561) 6.738 13.695 ( -0.014 3.211 -3.408) 4.682 13.853 ( 2.308 5.591 7.527) 9.657 14.094 ( 0.023 -0.169 -0.911) 0.927 14.165 ( 0.360 -2.014 -0.941) 2.252 14.270 ( 1.588 0.395 -0.712) 1.784 14.347 ( 1.799 0.883 0.963) 2.224 14.366 ( 1.367 1.200 -0.935) 2.046 14.980 ( -0.527 0.869 2.567) 2.761 15.058 ( -6.219 -0.866 1.992) 6.587 15.427 ( 5.843 -3.123 12.979) 14.573 15.749 ( 3.911 -5.779 7.678) 10.375 18.936 ( 2.729 -1.678 10.802) 11.267 18.978 ( -9.080 1.456 -5.323) 10.626 19.060 ( -5.810 -4.808 -6.587) 10.014 19.505 ( -6.175 -5.330 -6.848) 10.651 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 6.184 5.943 4.118) 9.514 2.444 ( 1.610 3.272 0.027) 3.647 2.530 ( -2.630 -0.150 -7.282) 7.744 2.628 ( -8.757 0.121 -6.113) 10.680 2.719 ( -0.113 -4.536 3.642) 5.818 2.964 ( -3.780 -4.527 0.023) 5.898 3.083 ( -0.320 -0.396 0.359) 0.623 3.206 ( -2.781 -1.705 -1.456) 3.572 3.360 ( -0.905 -0.848 -6.301) 6.422 3.394 ( 0.536 2.134 -4.439) 4.954 4.006 ( 2.774 -14.515 6.387) 16.099 4.118 ( 4.747 -14.732 4.114) 16.015 5.255 ( 7.089 20.293 4.502) 21.962 5.584 ( -0.814 19.569 -2.888) 19.798 5.750 ( 6.338 2.415 7.963) 10.460 6.084 ( 11.539 -3.692 4.893) 13.066 6.187 ( 12.677 -0.969 4.876) 13.617 6.749 ( 6.801 -0.500 -7.942) 10.468 6.816 ( 2.453 3.062 -3.287) 5.119 6.944 ( 8.054 5.822 5.292) 11.259 7.062 ( -7.688 2.325 1.237) 8.126 7.388 ( -24.309 -5.027 -19.677) 31.676 7.488 ( -7.400 -2.273 -1.312) 7.852 7.619 ( -22.508 -2.041 -11.290) 25.263 7.906 ( -5.837 12.122 -10.661) 17.165 8.011 ( -7.834 11.141 -7.281) 15.443 8.516 ( 12.046 2.686 3.178) 12.744 8.800 ( 6.235 8.123 -0.224) 10.242 9.248 ( -8.725 -3.728 5.984) 11.218 9.328 ( -8.146 0.524 -2.932) 8.673 9.582 ( -4.769 -1.316 -5.828) 7.644 9.771 ( 0.997 -5.458 -11.750) 12.994 10.025 ( 10.108 12.140 9.487) 18.427 10.390 ( -2.059 7.039 -1.002) 7.402 10.799 ( 9.288 1.522 6.355) 11.356 10.882 ( 9.173 -0.779 0.638) 9.228 11.034 ( 6.237 1.312 4.547) 7.829 11.088 ( 2.308 1.213 -7.443) 7.887 11.362 ( 1.176 -9.185 7.239) 11.754 11.470 ( 3.794 -3.691 7.228) 8.959 11.773 ( -10.534 0.193 -0.150) 10.537 11.972 ( -4.408 -7.265 -4.433) 9.584 12.065 ( -0.051 -6.321 -0.944) 6.391 12.162 ( 2.078 -8.884 -12.025) 15.095 13.549 ( -1.181 6.318 -5.794) 8.654 13.667 ( -2.791 3.874 -7.778) 9.126 13.921 ( 4.239 3.903 5.609) 8.042 14.114 ( 2.124 0.789 1.732) 2.852 14.160 ( -0.963 -3.479 -0.616) 3.661 14.299 ( 0.792 1.291 1.200) 1.932 14.374 ( -0.113 0.563 0.946) 1.107 14.378 ( 0.795 1.364 1.699) 2.320 14.946 ( -3.374 1.528 -1.090) 3.860 14.966 ( -1.650 2.059 -2.437) 3.591 15.547 ( 6.823 -4.747 15.841) 17.889 15.819 ( 2.119 -7.915 10.994) 13.712 18.804 ( -7.296 2.270 -8.929) 11.752 18.924 ( -7.887 -2.586 -10.000) 12.996 19.012 ( 4.485 -2.868 5.553) 7.693 19.373 ( -7.277 -5.320 -6.230) 10.957 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 5.624 1.708 -1.449) 6.054 2.430 ( -3.194 -0.105 -5.940) 6.745 2.486 ( -2.959 3.605 -9.356) 10.454 2.488 ( -2.090 1.541 -4.739) 5.404 2.750 ( 3.266 -0.035 3.386) 4.705 2.854 ( -6.868 1.289 1.217) 7.093 3.130 ( 3.418 -2.768 2.996) 5.321 3.172 ( -1.198 -4.427 0.635) 4.630 3.348 ( 0.299 -0.315 -3.897) 3.922 3.375 ( -1.905 1.383 -3.534) 4.247 4.072 ( 4.986 -17.737 8.645) 20.352 4.156 ( -2.214 -18.790 8.880) 20.900 5.386 ( 6.660 21.228 1.844) 22.325 5.510 ( -5.916 21.459 -1.070) 22.286 5.988 ( 17.345 0.350 -1.831) 17.444 6.241 ( -1.627 -3.137 2.878) 4.558 6.498 ( 20.075 1.242 3.336) 20.388 6.786 ( -4.198 -0.774 -13.064) 13.743 6.795 ( -2.929 0.782 -9.179) 9.667 6.904 ( -10.737 5.905 8.522) 14.926 7.002 ( -8.435 2.502 -13.713) 16.292 7.057 ( -11.528 -4.527 -9.990) 15.911 7.224 ( 5.610 -1.154 -2.049) 6.083 7.396 ( -7.923 -2.922 -2.124) 8.708 7.867 ( 0.120 13.227 -9.516) 16.295 7.904 ( -3.841 14.029 -7.796) 16.503 8.770 ( 13.854 3.118 4.556) 14.913 8.924 ( 5.512 6.102 -1.175) 8.306 9.065 ( -10.679 -0.541 7.452) 13.033 9.114 ( -10.347 3.668 -1.564) 11.089 9.618 ( 6.014 -3.654 -9.330) 11.686 9.733 ( -4.679 -4.859 -12.936) 14.589 10.208 ( 8.235 10.366 5.342) 14.276 10.330 ( -4.504 8.678 1.510) 9.893 10.961 ( 6.813 4.671 6.007) 10.214 11.025 ( 2.652 0.260 0.144) 2.669 11.086 ( 2.340 0.711 1.903) 3.099 11.126 ( 0.630 -0.005 -7.138) 7.166 11.357 ( 0.908 -7.783 6.785) 10.365 11.468 ( -8.054 -5.213 2.777) 9.987 11.687 ( 6.450 -3.564 7.177) 10.287 11.847 ( -8.067 -6.228 2.602) 10.518 12.124 ( 3.905 -9.234 -3.088) 10.490 12.175 ( -1.046 -10.072 -7.333) 12.503 13.551 ( 1.477 6.091 -8.366) 10.453 13.602 ( -3.492 5.103 -9.432) 11.278 14.008 ( 4.808 -0.381 3.323) 5.857 14.098 ( -4.072 -3.994 0.916) 5.777 14.191 ( 4.198 2.867 2.901) 5.854 14.271 ( -3.558 3.577 2.516) 5.638 14.375 ( 0.726 0.134 2.352) 2.465 14.386 ( -0.175 0.604 2.460) 2.539 14.920 ( 0.425 3.245 -4.962) 5.944 14.940 ( -1.286 2.665 -4.879) 5.706 15.687 ( 7.376 -6.786 16.906) 19.654 15.803 ( -3.888 -8.215 14.775) 17.347 18.726 ( -0.446 1.839 -11.829) 11.979 18.784 ( -5.899 -0.043 -12.197) 13.549 19.111 ( 5.819 -4.063 0.092) 7.098 19.235 ( -6.953 -4.932 -4.049) 9.438 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 0.000 6.957 12.536) 14.337 2.278 ( 0.000 11.208 12.765) 16.988 2.472 ( 0.000 1.510 -3.151) 3.494 2.741 ( 0.000 -9.846 -2.555) 10.172 2.745 ( 0.000 -11.559 0.922) 11.596 2.929 ( 0.000 -8.866 -0.624) 8.888 3.087 ( 0.000 5.051 1.010) 5.151 3.271 ( 0.000 2.364 -17.172) 17.334 3.383 ( 0.000 0.617 -15.271) 15.284 3.416 ( 0.000 -6.447 -2.045) 6.763 3.623 ( 0.000 5.534 -1.525) 5.740 4.075 ( 0.000 -13.152 -8.877) 15.868 5.243 ( 0.000 15.530 3.670) 15.957 5.594 ( 0.000 7.155 -6.301) 9.534 5.653 ( 0.000 -1.359 -2.199) 2.585 5.751 ( 0.000 1.283 -7.916) 8.019 6.256 ( 0.000 -0.424 23.009) 23.013 6.272 ( 0.000 0.009 29.856) 29.856 6.765 ( 0.000 14.065 19.459) 24.010 7.166 ( 0.000 -3.063 12.400) 12.773 7.544 ( 0.000 -0.127 -10.674) 10.675 7.555 ( 0.000 23.824 -2.607) 23.966 7.732 ( 0.000 3.116 2.836) 4.213 7.964 ( 0.000 -1.342 -8.604) 8.708 8.210 ( 0.000 -6.732 9.633) 11.752 8.395 ( 0.000 2.571 -14.287) 14.517 8.885 ( 0.000 6.289 -10.093) 11.892 9.067 ( 0.000 4.009 1.702) 4.356 9.382 ( 0.000 -11.832 -0.427) 11.840 9.404 ( 0.000 -6.771 -2.914) 7.372 9.819 ( 0.000 5.145 -3.301) 6.114 10.003 ( 0.000 0.984 4.473) 4.579 10.016 ( 0.000 -4.980 4.989) 7.049 10.032 ( 0.000 -1.778 -7.900) 8.097 10.327 ( 0.000 -0.794 -1.400) 1.609 10.514 ( 0.000 -4.009 -2.836) 4.911 10.638 ( 0.000 2.879 -0.473) 2.917 10.958 ( 0.000 -12.004 -1.792) 12.137 11.045 ( 0.000 10.122 -7.316) 12.489 11.316 ( 0.000 0.833 8.963) 9.002 11.952 ( 0.000 1.834 -2.533) 3.127 12.032 ( 0.000 5.686 -12.637) 13.858 12.123 ( 0.000 -5.258 -7.060) 8.802 12.378 ( 0.000 -6.768 -9.011) 11.270 13.739 ( 0.000 4.156 -0.280) 4.165 13.755 ( 0.000 6.026 0.438) 6.042 13.984 ( 0.000 5.639 7.798) 9.623 14.028 ( 0.000 -3.022 -0.617) 3.085 14.100 ( 0.000 -2.220 -2.096) 3.053 14.271 ( 0.000 -3.710 0.196) 3.716 14.317 ( 0.000 3.537 -1.819) 3.977 14.350 ( 0.000 2.018 0.542) 2.089 14.944 ( 0.000 -0.883 2.472) 2.625 15.058 ( 0.000 -7.282 1.412) 7.418 15.335 ( 0.000 6.829 16.185) 17.566 15.630 ( 0.000 -5.924 6.734) 8.969 18.863 ( 0.000 0.077 12.200) 12.200 18.996 ( 0.000 -6.906 2.923) 7.499 19.241 ( 0.000 3.226 -4.683) 5.686 19.496 ( 0.000 -7.678 -6.432) 10.016 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 2.322 8.775 7.439) 11.736 2.314 ( 3.957 7.394 13.779) 16.130 2.506 ( 3.092 2.129 -2.421) 4.467 2.708 ( -2.443 -8.428 -1.340) 8.877 2.754 ( -0.253 -9.363 -0.524) 9.382 2.890 ( -3.211 -5.390 -0.433) 6.289 3.145 ( 4.187 -1.348 2.227) 4.930 3.299 ( 1.883 3.037 -13.166) 13.642 3.324 ( -6.994 -5.192 -4.927) 10.007 3.378 ( -0.938 -1.488 -13.445) 13.559 3.644 ( 2.012 4.240 -2.490) 5.313 4.035 ( -4.115 -11.926 -8.289) 15.095 5.319 ( 7.644 15.477 3.868) 17.690 5.643 ( 4.263 1.552 -3.896) 5.980 5.691 ( 5.549 6.331 -2.127) 8.684 5.807 ( 4.183 2.018 -1.646) 4.927 6.121 ( -8.309 1.796 21.523) 23.141 6.331 ( 3.032 -3.880 19.964) 20.562 6.823 ( 5.195 11.552 17.142) 21.314 7.155 ( -2.438 -4.952 11.245) 12.527 7.378 ( -8.858 16.888 -6.722) 20.220 7.621 ( -0.443 3.176 -3.508) 4.753 7.791 ( 4.908 5.231 -2.298) 7.532 7.964 ( -0.646 -2.078 -8.406) 8.683 8.231 ( 2.839 -2.658 10.388) 11.092 8.285 ( -10.405 3.146 -15.518) 18.947 8.803 ( -3.098 8.711 -9.973) 13.599 9.091 ( -10.823 -2.515 -0.907) 11.148 9.343 ( 4.189 -0.091 -8.240) 9.245 9.464 ( -1.553 -4.414 2.245) 5.190 9.614 ( -12.710 -6.045 -1.788) 14.188 9.727 ( -7.347 -3.823 -1.601) 8.436 10.009 ( 2.718 6.767 3.608) 8.136 10.353 ( 10.813 -7.765 10.114) 16.719 10.481 ( 11.999 4.101 -7.164) 14.564 10.580 ( 6.466 -1.460 -1.538) 6.804 10.654 ( 3.071 1.730 0.937) 3.647 11.007 ( 4.013 -10.429 -0.806) 11.203 11.056 ( 1.377 8.029 -5.715) 9.951 11.353 ( 3.450 0.078 7.771) 8.502 11.937 ( -1.715 1.323 -2.278) 3.143 11.975 ( -4.725 2.290 -13.242) 14.245 12.094 ( -3.241 -4.823 -7.799) 9.725 12.285 ( -9.169 -6.934 -7.881) 13.937 13.739 ( -0.207 5.086 -1.200) 5.230 13.767 ( 1.036 5.273 -0.827) 5.437 13.961 ( -0.905 4.324 5.021) 6.688 14.066 ( 2.583 0.647 0.656) 2.743 14.102 ( 0.163 -3.235 -1.213) 3.459 14.276 ( 0.082 -1.995 0.370) 2.030 14.331 ( 1.505 2.386 -1.616) 3.251 14.365 ( 1.424 1.696 0.065) 2.215 14.959 ( 1.304 -1.178 3.022) 3.496 15.062 ( 0.002 -6.034 1.522) 6.223 15.342 ( 0.927 4.683 15.539) 16.256 15.610 ( -1.532 -6.099 7.409) 9.718 18.872 ( 0.929 -0.344 10.961) 11.006 18.986 ( -1.196 -6.411 1.407) 6.671 19.187 ( -5.410 3.668 -5.285) 8.405 19.458 ( -3.864 -7.913 -6.617) 11.015 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 2.101 9.100 3.437) 9.951 2.423 ( 6.500 2.763 9.839) 12.112 2.561 ( 1.646 2.671 -1.576) 3.511 2.653 ( -2.713 -4.112 0.138) 4.929 2.729 ( -2.459 -3.426 -3.157) 5.268 2.831 ( -2.459 -6.995 1.597) 7.585 3.134 ( -7.328 -5.399 3.501) 9.752 3.187 ( -3.333 -5.071 -4.969) 7.843 3.338 ( 2.125 1.130 -9.818) 10.109 3.413 ( 2.901 -0.032 -9.680) 10.105 3.700 ( 3.694 -1.796 -3.235) 5.229 3.925 ( -6.862 -9.706 -6.422) 13.511 5.514 ( 11.546 16.494 4.488) 20.628 5.755 ( 7.112 1.651 5.869) 9.367 5.848 ( 7.182 13.642 0.041) 15.417 5.872 ( 4.517 2.321 8.196) 9.642 6.015 ( 0.131 -0.337 8.899) 8.906 6.449 ( 9.886 -7.237 1.111) 12.302 6.926 ( 4.751 6.320 13.541) 15.681 7.025 ( -10.142 -1.625 4.271) 11.124 7.255 ( -4.411 12.704 -3.901) 14.002 7.565 ( -4.989 0.626 -3.318) 6.024 7.760 ( -14.447 -2.170 -17.721) 22.966 7.858 ( -10.179 -3.236 -11.746) 15.876 8.160 ( 1.197 7.778 -3.551) 8.634 8.342 ( 8.557 5.824 9.657) 14.157 8.621 ( -18.724 9.596 -13.858) 25.194 8.906 ( 0.859 8.493 2.126) 8.797 9.270 ( -6.724 -6.176 5.026) 10.422 9.391 ( -7.857 -8.094 -4.501) 12.145 9.595 ( 5.783 -3.542 -7.581) 10.171 9.641 ( -3.185 -3.235 -6.356) 7.811 10.146 ( 9.894 12.476 9.073) 18.327 10.527 ( 8.753 -5.946 11.329) 15.502 10.578 ( 0.650 6.907 -2.941) 7.536 10.739 ( 9.762 2.188 0.600) 10.022 10.831 ( 11.770 -1.812 1.657) 12.023 11.081 ( 3.809 -4.664 -0.387) 6.034 11.102 ( 2.961 -0.451 -1.179) 3.219 11.420 ( 2.559 0.053 6.103) 6.618 11.847 ( -5.656 -2.655 -9.721) 11.555 11.932 ( -1.524 -2.292 -6.107) 6.699 12.003 ( -5.874 -5.730 -8.529) 11.836 12.060 ( -12.660 -7.525 -5.403) 15.688 13.725 ( -1.197 6.478 -3.360) 7.395 13.783 ( 0.252 4.725 -3.652) 5.977 13.959 ( 0.292 2.446 2.131) 3.257 14.088 ( -0.711 -2.099 -2.468) 3.316 14.128 ( 2.881 1.878 2.799) 4.434 14.282 ( 1.065 -0.162 1.375) 1.746 14.364 ( 1.631 1.176 -0.320) 2.036 14.395 ( 1.343 1.085 -0.482) 1.792 14.985 ( 1.209 -0.049 4.226) 4.396 15.048 ( -1.166 -0.795 1.599) 2.133 15.373 ( 2.209 -0.655 14.020) 14.208 15.595 ( 0.172 -8.372 8.507) 11.937 18.897 ( 1.647 -1.681 7.507) 7.867 18.941 ( -3.553 -4.370 -2.034) 5.988 19.051 ( -8.086 4.483 -7.018) 11.608 19.356 ( -6.433 -8.387 -6.976) 12.664 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 2.101 6.033 2.529) 6.871 2.509 ( -0.358 2.535 -0.810) 2.685 2.548 ( -1.036 0.445 3.440) 3.620 2.636 ( 1.358 0.973 5.336) 5.592 2.665 ( -3.228 2.626 -8.356) 9.335 2.809 ( 0.072 -8.533 3.409) 9.189 3.041 ( -1.261 -4.960 -0.471) 5.140 3.118 ( -3.476 -6.351 -3.578) 8.076 3.370 ( 0.827 1.678 -6.358) 6.627 3.437 ( -0.467 1.048 -3.105) 3.310 3.744 ( -0.999 -8.907 -0.718) 8.991 3.813 ( -2.995 -11.963 -3.012) 12.695 5.708 ( 8.316 17.420 5.024) 19.946 5.842 ( 4.105 7.779 10.496) 13.694 5.985 ( 7.234 11.588 1.367) 13.729 6.042 ( 12.123 5.778 2.208) 13.610 6.157 ( 12.211 -1.482 3.581) 12.811 6.678 ( 12.334 -6.621 -8.195) 16.221 6.850 ( -6.390 -0.171 -0.745) 6.435 6.978 ( -0.488 -2.210 9.468) 9.734 7.166 ( -5.151 6.107 -5.698) 9.813 7.338 ( -23.484 0.518 -26.524) 35.430 7.426 ( -11.188 -3.432 -2.557) 11.978 7.544 ( -20.800 -4.388 -18.020) 27.867 8.228 ( 3.634 13.759 4.465) 14.915 8.347 ( -5.796 22.810 -3.303) 23.766 8.568 ( 11.779 1.554 9.249) 15.057 8.981 ( 4.994 7.415 -3.215) 9.500 9.128 ( -7.094 -7.009 4.709) 11.029 9.326 ( -0.441 -2.664 -2.751) 3.855 9.529 ( -5.896 -2.186 -5.644) 8.450 9.669 ( 0.172 -4.202 -12.597) 13.280 10.330 ( 8.528 15.052 9.854) 19.910 10.572 ( -0.771 9.427 2.077) 9.684 10.718 ( 10.634 -6.053 6.970) 14.082 10.938 ( 10.159 2.974 1.895) 10.753 11.014 ( 6.463 -5.599 3.094) 9.094 11.147 ( 2.660 -5.746 5.458) 8.359 11.171 ( 4.341 4.338 -5.038) 7.940 11.429 ( -1.013 1.052 5.062) 5.268 11.747 ( -10.942 -3.105 -4.523) 12.240 11.787 ( -4.067 -11.142 -6.577) 13.562 11.877 ( -6.597 -8.047 -5.126) 11.599 11.957 ( -1.055 -9.602 -7.244) 12.074 13.703 ( -0.769 7.518 -5.438) 9.311 13.770 ( -1.470 5.506 -6.677) 8.779 13.960 ( -0.103 -0.903 -0.245) 0.942 14.057 ( -2.396 -4.726 -2.788) 5.987 14.195 ( 3.972 5.069 4.132) 7.651 14.318 ( 2.223 0.289 2.253) 3.178 14.384 ( 0.108 0.567 0.785) 0.974 14.405 ( -0.184 0.776 1.024) 1.298 15.006 ( 1.239 4.311 3.398) 5.627 15.038 ( 0.274 4.672 1.414) 4.889 15.423 ( 3.077 -6.148 13.470) 15.123 15.602 ( -0.073 -11.939 9.971) 15.555 18.855 ( -4.862 0.380 -6.057) 7.776 18.904 ( -6.462 3.703 -8.474) 11.282 18.937 ( 2.428 -3.872 2.211) 5.077 19.223 ( -7.061 -8.543 -6.914) 13.063 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 1.833 3.441 2.298) 4.525 2.442 ( -3.846 2.276 -0.029) 4.470 2.548 ( 0.925 2.710 1.294) 3.142 2.589 ( -3.193 4.469 -4.151) 6.885 2.727 ( 5.323 -0.297 1.397) 5.512 2.802 ( -1.834 -4.166 1.463) 4.781 3.052 ( 1.049 -5.779 -2.703) 6.466 3.071 ( -1.362 -6.312 -3.368) 7.283 3.377 ( 0.542 3.656 -2.051) 4.227 3.406 ( -2.178 2.013 -0.744) 3.058 3.722 ( 0.978 -13.918 2.293) 14.140 3.771 ( -2.922 -16.000 1.570) 16.340 5.849 ( 7.192 19.565 3.452) 21.128 5.982 ( -5.325 21.422 1.344) 22.115 6.029 ( 14.570 3.363 1.425) 15.021 6.240 ( -0.297 2.502 3.775) 4.539 6.466 ( 20.698 -2.364 1.319) 20.874 6.758 ( -5.606 -1.044 -5.982) 8.264 6.812 ( -3.324 0.277 -8.747) 9.361 6.886 ( -3.789 -9.521 -7.201) 12.524 7.013 ( -14.791 2.127 -9.549) 17.734 7.050 ( -7.480 2.688 -16.917) 18.692 7.156 ( 2.342 -5.488 -7.582) 9.648 7.298 ( -9.358 -6.315 -6.173) 12.867 8.276 ( 1.502 21.472 3.775) 21.853 8.297 ( -1.023 22.940 1.170) 22.993 8.800 ( 11.478 -1.411 8.073) 14.104 8.982 ( -7.241 -6.428 5.661) 11.217 9.101 ( 6.218 9.067 -4.299) 11.805 9.250 ( -8.102 8.433 -5.542) 12.941 9.513 ( 4.709 -6.607 -6.188) 10.204 9.620 ( -4.870 -6.068 -10.217) 12.842 10.466 ( 5.565 13.093 7.198) 15.944 10.542 ( -2.533 10.767 4.714) 12.023 10.915 ( 9.184 -7.380 4.770) 12.711 11.030 ( -1.497 -10.179 4.972) 11.427 11.133 ( 3.799 3.493 4.039) 6.554 11.171 ( -0.055 10.097 -0.518) 10.110 11.238 ( 5.592 0.611 -1.974) 5.962 11.403 ( -5.863 0.141 -2.159) 6.249 11.579 ( 0.444 -6.147 4.235) 7.478 11.697 ( -7.603 -6.794 -1.194) 10.266 11.844 ( 3.116 -16.591 -6.893) 18.234 11.916 ( -3.363 -13.599 -6.966) 15.645 13.704 ( 0.880 7.801 -7.151) 10.619 13.734 ( -2.037 7.033 -7.908) 10.777 13.967 ( 1.120 -3.627 -1.296) 4.011 14.005 ( -2.671 -5.036 -2.270) 6.136 14.275 ( 4.097 4.386 3.970) 7.196 14.338 ( -1.695 2.617 2.625) 4.076 14.375 ( 0.733 -0.208 2.369) 2.489 14.397 ( -0.836 0.161 2.075) 2.243 15.033 ( 1.300 7.680 1.046) 7.859 15.045 ( 0.089 7.841 1.268) 7.943 15.495 ( 4.307 -11.032 13.504) 17.961 15.572 ( -3.139 -13.188 12.122) 18.186 18.788 ( -1.453 3.665 -9.223) 10.030 18.808 ( -3.316 3.308 -9.810) 10.871 19.000 ( 4.089 -6.197 -2.196) 7.743 19.096 ( -5.955 -7.870 -5.515) 11.305 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 0.000 -2.954 7.342) 7.914 2.362 ( 0.000 2.954 7.342) 7.914 2.587 ( 0.000 -3.280 0.070) 3.281 2.587 ( 0.000 3.280 0.070) 3.281 2.693 ( 0.000 -10.870 3.045) 11.289 2.693 ( 0.000 10.870 3.045) 11.289 3.213 ( 0.000 -6.665 -7.388) 9.951 3.213 ( 0.000 6.665 -7.388) 9.951 3.371 ( 0.000 -1.286 -13.082) 13.145 3.371 ( 0.000 1.286 -13.082) 13.145 3.811 ( 0.000 -11.634 -7.047) 13.602 3.811 ( 0.000 11.634 -7.047) 13.602 5.502 ( 0.000 -9.189 0.076) 9.190 5.502 ( 0.000 9.189 0.076) 9.190 5.746 ( 0.000 -2.897 -9.440) 9.874 5.746 ( 0.000 2.897 -9.440) 9.874 6.264 ( 0.000 -0.805 30.626) 30.637 6.264 ( 0.000 0.805 30.626) 30.637 7.031 ( 0.000 -10.020 16.804) 19.564 7.031 ( 0.000 10.020 16.804) 19.564 7.613 ( 0.000 -5.544 2.101) 5.929 7.613 ( 0.000 5.544 2.101) 5.929 7.928 ( 0.000 -2.964 -6.894) 7.504 7.928 ( 0.000 2.964 -6.894) 7.504 8.299 ( 0.000 -12.468 -5.333) 13.560 8.299 ( 0.000 12.468 -5.333) 13.560 9.006 ( 0.000 -6.079 -9.249) 11.068 9.006 ( 0.000 6.079 -9.249) 11.068 9.296 ( 0.000 -2.309 1.632) 2.828 9.296 ( 0.000 2.309 1.632) 2.828 9.921 ( 0.000 -4.182 0.744) 4.248 9.921 ( 0.000 4.182 0.744) 4.248 10.005 ( 0.000 -0.513 2.595) 2.645 10.005 ( 0.000 0.513 2.595) 2.645 10.399 ( 0.000 -6.029 -5.972) 8.486 10.399 ( 0.000 6.029 -5.972) 8.486 10.741 ( 0.000 -7.618 0.830) 7.663 10.741 ( 0.000 7.618 0.830) 7.663 11.243 ( 0.000 -7.406 -3.959) 8.398 11.243 ( 0.000 7.406 -3.959) 8.398 12.022 ( 0.000 -4.399 -2.786) 5.207 12.022 ( 0.000 4.399 -2.786) 5.207 12.196 ( 0.000 -9.437 -8.804) 12.906 12.196 ( 0.000 9.437 -8.804) 12.906 13.813 ( 0.000 -1.502 -2.088) 2.572 13.813 ( 0.000 1.502 -2.088) 2.572 14.011 ( 0.000 -1.864 3.214) 3.715 14.011 ( 0.000 1.864 3.214) 3.715 14.157 ( 0.000 -6.736 1.253) 6.851 14.157 ( 0.000 6.736 1.253) 6.851 14.366 ( 0.000 -0.785 -0.262) 0.827 14.366 ( 0.000 0.785 -0.262) 0.827 14.951 ( 0.000 -2.402 1.436) 2.798 14.951 ( 0.000 2.402 1.436) 2.798 15.488 ( 0.000 -7.436 11.992) 14.110 15.488 ( 0.000 7.436 11.992) 14.110 18.891 ( 0.000 -2.991 7.191) 7.788 18.891 ( 0.000 2.991 7.191) 7.788 19.343 ( 0.000 -6.474 -5.883) 8.747 19.343 ( 0.000 6.474 -5.883) 8.747 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 2.201 -2.075 7.098) 7.716 2.385 ( 2.201 2.075 7.098) 7.716 2.596 ( 0.950 -2.305 -0.244) 2.505 2.596 ( 0.950 2.305 -0.244) 2.505 2.710 ( 1.079 -9.809 1.587) 9.995 2.710 ( 1.079 9.809 1.587) 9.995 3.188 ( -3.400 -5.519 -1.476) 6.648 3.188 ( -3.400 5.519 -1.476) 6.648 3.352 ( -0.555 -1.693 -16.041) 16.139 3.352 ( -0.555 1.693 -16.041) 16.139 3.802 ( -1.132 -10.049 -7.036) 12.319 3.802 ( -1.132 10.049 -7.036) 12.319 5.556 ( 5.704 -7.471 1.645) 9.543 5.556 ( 5.704 7.471 1.645) 9.543 5.817 ( 6.652 -2.412 -7.735) 10.483 5.817 ( 6.652 2.412 -7.735) 10.483 6.217 ( -3.619 -6.518 25.754) 26.811 6.217 ( -3.619 6.518 25.754) 26.811 7.030 ( -0.530 -7.648 14.101) 16.050 7.030 ( -0.530 7.648 14.101) 16.050 7.595 ( -2.402 -6.640 0.805) 7.106 7.595 ( -2.402 6.640 0.805) 7.106 7.903 ( -2.960 -3.814 -7.938) 9.291 7.903 ( -2.960 3.814 -7.938) 9.291 8.291 ( -0.356 -4.240 -3.839) 5.731 8.291 ( -0.356 4.240 -3.839) 5.731 8.964 ( -2.180 -8.022 -7.557) 11.234 8.964 ( -2.180 8.022 -7.557) 11.234 9.362 ( 0.143 -4.454 0.970) 4.561 9.362 ( 0.143 4.454 0.970) 4.561 9.623 ( -13.026 -5.210 -4.972) 14.885 9.623 ( -13.026 5.210 -4.972) 14.885 10.176 ( 8.174 -8.364 7.459) 13.872 10.176 ( 8.174 8.364 7.459) 13.872 10.545 ( 11.907 -1.693 -3.491) 12.523 10.545 ( 11.907 1.693 -3.491) 12.523 10.769 ( 2.639 -9.470 1.875) 10.008 10.769 ( 2.639 9.470 1.875) 10.008 11.260 ( 1.727 -8.412 -4.307) 9.607 11.260 ( 1.727 8.412 -4.307) 9.607 11.983 ( -3.757 -3.023 -3.549) 5.987 11.983 ( -3.757 3.023 -3.549) 5.987 12.117 ( -7.714 -7.766 -8.243) 13.703 12.117 ( -7.714 7.766 -8.243) 13.703 13.818 ( 0.429 -1.628 -2.652) 3.141 13.818 ( 0.429 1.628 -2.652) 3.141 14.014 ( 0.097 -3.540 1.747) 3.949 14.014 ( 0.097 3.540 1.747) 3.949 14.180 ( 2.132 -6.503 1.690) 7.049 14.180 ( 2.132 6.503 1.690) 7.049 14.376 ( 0.918 -0.968 -0.425) 1.400 14.376 ( 0.918 0.968 -0.425) 1.400 14.963 ( 1.332 -2.458 2.307) 3.625 14.963 ( 1.332 2.458 2.307) 3.625 15.471 ( -1.616 -6.930 11.776) 13.759 15.471 ( -1.616 6.930 11.776) 13.759 18.891 ( -0.086 -2.541 5.918) 6.441 18.891 ( -0.086 2.541 5.918) 6.441 19.298 ( -4.517 -6.879 -6.231) 10.323 19.298 ( -4.517 6.879 -6.231) 10.323 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 2.213 -2.311 7.067) 7.758 2.432 ( 2.213 2.311 7.067) 7.758 2.621 ( 1.462 -1.097 -1.737) 2.522 2.621 ( 1.462 1.097 -1.737) 2.522 2.714 ( -0.413 -5.272 -1.023) 5.387 2.714 ( -0.413 5.272 -1.023) 5.387 3.081 ( -6.563 -2.831 2.354) 7.525 3.081 ( -6.563 2.831 2.354) 7.525 3.376 ( 2.299 -2.239 -12.861) 13.256 3.376 ( 2.299 2.239 -12.861) 13.256 3.760 ( -3.352 -6.095 -6.493) 9.515 3.760 ( -3.352 6.095 -6.493) 9.515 5.717 ( 10.330 -4.915 6.403) 13.110 5.717 ( 10.330 4.915 6.403) 13.110 5.942 ( 4.920 -2.549 2.187) 5.957 5.942 ( 4.920 2.549 2.187) 5.957 6.219 ( 6.473 -14.783 6.763) 17.498 6.219 ( 6.473 14.783 6.763) 17.498 6.991 ( -3.833 -1.339 8.367) 9.300 6.991 ( -3.833 1.339 8.367) 9.300 7.499 ( -7.824 -8.479 -3.638) 12.097 7.499 ( -7.824 8.479 -3.638) 12.097 7.767 ( -12.596 -3.911 -15.702) 20.507 7.767 ( -12.596 3.911 -15.702) 20.507 8.325 ( 4.828 -6.737 4.058) 9.228 8.325 ( 4.828 6.737 4.058) 9.228 8.932 ( -2.753 -12.978 -4.477) 14.002 8.932 ( -2.753 12.978 -4.477) 14.002 9.189 ( -7.935 -1.529 2.138) 8.359 9.189 ( -7.935 1.529 2.138) 8.359 9.589 ( 1.563 -1.742 -9.253) 9.544 9.589 ( 1.563 1.742 -9.253) 9.544 10.358 ( 11.040 -8.620 9.159) 16.735 10.358 ( 11.040 8.620 9.159) 16.735 10.747 ( 6.363 -6.542 0.098) 9.127 10.747 ( 6.363 6.542 0.098) 9.127 10.847 ( 7.219 -9.083 5.107) 12.677 10.847 ( 7.219 9.083 5.107) 12.677 11.303 ( 2.603 -10.573 -4.525) 11.792 11.303 ( 2.603 10.573 -4.525) 11.792 11.875 ( -8.729 -5.069 -6.323) 11.911 11.875 ( -8.729 5.069 -6.323) 11.911 11.944 ( -8.107 -1.246 -5.873) 10.088 11.944 ( -8.107 1.246 -5.873) 10.088 13.824 ( 0.095 -2.224 -3.903) 4.493 13.824 ( 0.095 2.224 -3.903) 4.493 14.004 ( -1.417 -4.052 -1.317) 4.490 14.004 ( -1.417 4.052 -1.317) 4.490 14.230 ( 2.963 -4.773 2.724) 6.244 14.230 ( 2.963 4.773 2.724) 6.244 14.395 ( 0.888 -1.162 -0.325) 1.498 14.395 ( 0.888 1.162 -0.325) 1.498 15.007 ( 3.388 -2.290 4.298) 5.932 15.007 ( 3.388 2.290 4.298) 5.932 15.435 ( -2.062 -6.144 10.842) 12.631 15.435 ( -2.062 6.144 10.842) 12.631 18.885 ( -0.660 -0.868 2.583) 2.804 18.885 ( -0.660 0.868 2.583) 2.804 19.182 ( -7.140 -7.776 -7.095) 12.720 19.182 ( -7.140 7.776 -7.095) 12.720 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 1.112 -4.866 6.341) 8.070 2.462 ( 1.112 4.866 6.341) 8.070 2.612 ( -3.053 -6.158 -0.663) 6.905 2.612 ( -3.053 6.158 -0.663) 6.905 2.742 ( 4.076 -3.250 -2.907) 5.969 2.742 ( 4.076 3.250 -2.907) 5.969 2.976 ( -4.010 -4.133 1.216) 5.886 2.976 ( -4.010 4.133 1.216) 5.886 3.415 ( 1.779 -2.402 -5.889) 6.604 3.415 ( 1.779 2.402 -5.889) 6.604 3.672 ( -5.717 -1.850 -4.655) 7.601 3.672 ( -5.717 1.850 -4.655) 7.601 5.888 ( 7.332 -4.792 9.190) 12.695 5.888 ( 7.332 4.792 9.190) 12.695 6.093 ( 12.232 -5.607 3.253) 13.843 6.093 ( 12.232 5.607 3.253) 13.843 6.424 ( 11.689 -18.003 -2.238) 21.581 6.424 ( 11.689 18.003 -2.238) 21.581 6.882 ( -6.969 -4.050 1.194) 8.148 6.882 ( -6.969 4.050 1.194) 8.148 7.297 ( -13.191 -5.425 -10.470) 17.693 7.297 ( -13.191 5.425 -10.470) 17.693 7.443 ( -18.287 -4.884 -18.359) 26.369 7.443 ( -18.287 4.884 -18.359) 26.369 8.467 ( 8.999 -8.253 9.522) 15.484 8.467 ( 8.999 8.253 9.522) 15.484 8.845 ( -4.668 -17.743 3.396) 18.658 8.845 ( -4.668 17.743 3.396) 18.658 9.181 ( 4.712 -8.509 -3.595) 10.370 9.181 ( 4.712 8.509 -3.595) 10.370 9.571 ( -3.549 -4.889 -9.636) 11.373 9.571 ( -3.549 4.889 -9.636) 11.373 10.571 ( 9.989 -7.692 8.361) 15.128 10.571 ( 9.989 7.692 8.361) 15.128 10.790 ( 0.177 -11.131 5.534) 12.432 10.790 ( 0.177 11.131 5.534) 12.432 11.037 ( 10.506 -5.156 4.740) 12.627 11.037 ( 10.506 5.156 4.740) 12.627 11.368 ( 4.645 -11.098 -4.672) 12.906 11.368 ( 4.645 11.098 -4.672) 12.906 11.658 ( -12.081 -4.754 -6.517) 14.526 11.658 ( -12.081 4.754 -6.517) 14.526 11.819 ( -6.368 -2.304 -5.372) 8.644 11.819 ( -6.368 2.304 -5.372) 8.644 13.826 ( 0.326 -2.901 -4.918) 5.719 13.826 ( 0.326 2.901 -4.918) 5.719 13.959 ( -3.123 -3.608 -3.788) 6.092 13.959 ( -3.123 3.608 -3.788) 6.092 14.290 ( 3.150 -3.205 3.301) 5.577 14.290 ( 3.150 3.205 3.301) 5.577 14.402 ( -0.228 -0.915 0.718) 1.185 14.402 ( -0.228 0.915 0.718) 1.185 15.093 ( 5.487 -1.967 6.164) 8.484 15.093 ( 5.487 1.967 6.164) 8.484 15.389 ( -2.889 -5.782 9.445) 11.445 15.389 ( -2.889 5.782 9.445) 11.445 18.870 ( -0.571 -2.079 -1.692) 2.741 18.870 ( -0.571 2.079 -1.692) 2.741 19.042 ( -6.933 -8.281 -7.870) 13.364 19.042 ( -6.933 8.281 -7.870) 13.364 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 1.912 -5.627 4.459) 7.430 2.488 ( 1.912 5.627 4.459) 7.430 2.541 ( -3.575 -6.286 2.736) 7.732 2.541 ( -3.575 6.286 2.736) 7.732 2.836 ( 4.876 -3.822 -3.419) 7.076 2.836 ( 4.876 3.822 -3.419) 7.076 2.913 ( -3.206 -3.531 -1.240) 4.928 2.913 ( -3.206 3.531 -1.240) 4.928 3.460 ( 3.420 -0.903 -1.595) 3.880 3.460 ( 3.420 0.903 -1.595) 3.880 3.554 ( -6.076 -1.987 -2.019) 6.704 3.554 ( -6.076 1.987 -2.019) 6.704 6.070 ( 11.984 -2.110 3.304) 12.609 6.070 ( 11.984 2.110 3.304) 12.609 6.258 ( -1.747 -4.539 5.992) 7.718 6.258 ( -1.747 4.539 5.992) 7.718 6.595 ( 8.957 -15.361 -3.890) 18.202 6.595 ( 8.957 15.361 -3.890) 18.202 6.786 ( -4.944 -2.920 -4.740) 7.446 6.786 ( -4.944 2.920 -4.740) 7.446 7.051 ( -5.925 -3.270 -16.523) 17.855 7.051 ( -5.925 3.270 -16.523) 17.855 7.158 ( -11.644 -6.455 -12.387) 18.185 7.158 ( -11.644 6.455 -12.387) 18.185 8.635 ( 7.847 -8.593 8.653) 14.502 8.635 ( 7.847 8.593 8.653) 14.502 8.758 ( -5.079 -12.304 6.246) 14.703 8.758 ( -5.079 12.304 6.246) 14.703 9.311 ( 8.020 -9.394 -6.302) 13.867 9.311 ( 8.020 9.394 -6.302) 13.867 9.463 ( -7.266 -8.208 -8.425) 13.826 9.463 ( -7.266 8.208 -8.425) 13.826 10.715 ( 4.981 -9.060 8.544) 13.412 10.715 ( 4.981 9.060 8.544) 13.412 10.776 ( -1.725 -10.234 8.391) 13.346 10.776 ( -1.725 10.234 8.391) 13.346 11.229 ( 9.812 -3.650 1.642) 10.597 11.229 ( 9.812 3.650 1.642) 10.597 11.421 ( -9.065 -8.832 -2.097) 12.829 11.421 ( -9.065 8.832 -2.097) 12.829 11.512 ( 6.709 -10.359 -6.758) 14.071 11.512 ( 6.709 10.359 -6.758) 14.071 11.677 ( -8.487 -6.578 -5.577) 12.099 11.677 ( -8.487 6.578 -5.577) 12.099 13.845 ( 1.807 -3.184 -5.299) 6.440 13.845 ( 1.807 3.184 -5.299) 6.440 13.895 ( -3.227 -3.342 -5.017) 6.838 13.895 ( -3.227 3.342 -5.017) 6.838 14.346 ( 2.598 -2.140 3.035) 4.532 14.346 ( 2.598 2.140 3.035) 4.532 14.386 ( -1.497 -1.208 2.075) 2.829 14.386 ( -1.497 1.208 2.075) 2.829 15.208 ( 6.130 -3.260 7.422) 10.164 15.208 ( 6.130 3.260 7.422) 10.164 15.316 ( -4.823 -5.030 8.344) 10.871 15.316 ( -4.823 5.030 8.344) 10.871 18.875 ( 1.354 -5.277 -5.487) 7.732 18.875 ( 1.354 5.277 -5.487) 7.732 18.930 ( -4.464 -7.516 -7.595) 11.580 18.930 ( -4.464 7.516 -7.595) 11.580 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 0.000 0.000 20.730) 20.730 2.480 ( 0.000 0.000 18.228) 18.228 2.489 ( 0.000 0.000 5.712) 5.712 2.704 ( 0.000 0.000 -13.270) 13.270 2.795 ( 0.000 0.000 -14.427) 14.427 2.803 ( 0.000 0.000 -20.018) 20.018 3.017 ( 0.000 0.000 2.988) 2.988 3.115 ( 0.000 0.000 -6.919) 6.919 3.392 ( 0.000 0.000 6.941) 6.941 3.511 ( 0.000 0.000 -4.403) 4.403 4.007 ( 0.000 0.000 16.861) 16.861 4.285 ( 0.000 0.000 -11.522) 11.522 4.917 ( 0.000 0.000 9.551) 9.551 5.107 ( 0.000 0.000 -8.555) 8.555 5.552 ( 0.000 0.000 -4.673) 4.673 5.562 ( 0.000 0.000 -6.018) 6.018 6.549 ( 0.000 0.000 10.446) 10.446 6.672 ( 0.000 0.000 2.462) 2.462 6.708 ( 0.000 0.000 16.723) 16.723 7.015 ( 0.000 0.000 35.711) 35.711 7.168 ( 0.000 0.000 -24.258) 24.258 7.454 ( 0.000 0.000 1.843) 1.843 7.694 ( 0.000 0.000 0.269) 0.269 7.775 ( 0.000 0.000 -6.563) 6.563 8.063 ( 0.000 0.000 -7.730) 7.730 8.184 ( 0.000 0.000 -25.640) 25.640 8.965 ( 0.000 0.000 9.879) 9.879 8.968 ( 0.000 0.000 17.815) 17.815 9.435 ( 0.000 0.000 -9.468) 9.468 9.582 ( 0.000 0.000 10.304) 10.304 9.618 ( 0.000 0.000 -19.751) 19.751 9.783 ( 0.000 0.000 -8.682) 8.682 10.055 ( 0.000 0.000 5.281) 5.281 10.162 ( 0.000 0.000 -4.521) 4.521 10.478 ( 0.000 0.000 3.538) 3.538 10.545 ( 0.000 0.000 -2.796) 2.796 10.646 ( 0.000 0.000 6.010) 6.010 10.746 ( 0.000 0.000 -4.242) 4.242 11.396 ( 0.000 0.000 9.813) 9.813 11.605 ( 0.000 0.000 22.220) 22.220 11.646 ( 0.000 0.000 -14.457) 14.457 11.982 ( 0.000 0.000 7.201) 7.201 12.010 ( 0.000 0.000 -17.969) 17.969 12.181 ( 0.000 0.000 -11.881) 11.881 13.634 ( 0.000 0.000 2.312) 2.312 13.655 ( 0.000 0.000 -0.121) 0.121 13.989 ( 0.000 0.000 6.156) 6.156 14.092 ( 0.000 0.000 -1.409) 1.409 14.098 ( 0.000 0.000 -1.645) 1.645 14.101 ( 0.000 0.000 -4.890) 4.890 14.303 ( 0.000 0.000 0.946) 0.946 14.319 ( 0.000 0.000 -0.680) 0.680 15.105 ( 0.000 0.000 7.132) 7.132 15.226 ( 0.000 0.000 -4.706) 4.706 15.523 ( 0.000 0.000 13.290) 13.290 15.713 ( 0.000 0.000 -5.713) 5.713 19.167 ( 0.000 0.000 -0.282) 0.282 19.185 ( 0.000 0.000 -2.021) 2.021 19.229 ( 0.000 0.000 16.106) 16.106 19.508 ( 0.000 0.000 -11.684) 11.684 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -4.274 0.000 14.733) 15.340 2.467 ( -1.459 0.000 0.601) 1.577 2.503 ( 1.898 0.000 15.931) 16.043 2.769 ( -3.291 0.000 -11.568) 12.027 2.785 ( 5.470 0.000 -6.554) 8.537 2.873 ( 6.221 0.000 -15.008) 16.246 3.030 ( 1.961 0.000 0.770) 2.107 3.094 ( -1.764 0.000 -5.697) 5.964 3.362 ( -2.368 0.000 5.307) 5.812 3.451 ( -5.327 0.000 -3.031) 6.129 4.042 ( 3.805 0.000 13.567) 14.090 4.260 ( -2.090 0.000 -9.145) 9.381 4.959 ( 3.893 0.000 9.252) 10.037 5.146 ( 3.601 0.000 -8.649) 9.369 5.612 ( 7.767 0.000 -1.001) 7.831 5.686 ( 10.620 0.000 -7.231) 12.848 6.459 ( -5.765 0.000 15.475) 16.514 6.659 ( -1.804 0.000 -4.737) 5.069 6.803 ( 7.313 0.000 17.236) 18.723 6.872 ( -12.338 0.000 31.652) 33.971 7.202 ( 3.168 0.000 -22.307) 22.531 7.386 ( -8.218 0.000 -10.063) 12.992 7.675 ( -1.841 0.000 1.236) 2.217 7.797 ( -1.243 0.000 -12.059) 12.123 8.074 ( 7.485 0.000 4.382) 8.673 8.334 ( 10.747 0.000 -18.127) 21.074 8.463 ( -27.449 0.000 12.795) 30.285 8.749 ( -31.533 0.000 -15.231) 35.019 9.560 ( -3.139 0.000 9.908) 10.393 9.592 ( 19.369 0.000 18.103) 26.512 9.752 ( -4.829 0.000 -5.941) 7.656 9.898 ( -11.658 0.000 1.251) 11.725 9.966 ( -14.851 0.000 -3.442) 15.245 9.966 ( 16.817 0.000 -18.008) 24.639 10.538 ( 6.557 0.000 5.024) 8.261 10.631 ( 8.905 0.000 -4.003) 9.763 10.767 ( 4.483 0.000 2.609) 5.186 10.795 ( 6.435 0.000 -1.397) 6.584 11.465 ( 6.598 0.000 9.325) 11.423 11.610 ( 0.774 0.000 20.864) 20.879 11.698 ( 5.293 0.000 -13.384) 14.392 11.962 ( -1.662 0.000 5.688) 5.926 11.993 ( -1.550 0.000 -16.935) 17.006 12.136 ( -4.441 0.000 -10.770) 11.649 13.598 ( -3.475 0.000 2.159) 4.092 13.639 ( -1.923 0.000 -1.502) 2.440 13.973 ( -0.693 0.000 8.217) 8.247 14.091 ( 0.358 0.000 0.180) 0.401 14.120 ( 1.748 0.000 -2.159) 2.778 14.122 ( 1.872 0.000 -6.479) 6.744 14.315 ( 1.251 0.000 0.782) 1.475 14.328 ( 0.943 0.000 -0.558) 1.096 15.089 ( -2.135 0.000 5.853) 6.230 15.189 ( -4.297 0.000 -3.734) 5.693 15.578 ( 5.463 0.000 11.860) 13.058 15.744 ( 3.763 0.000 -4.370) 5.767 19.095 ( -7.256 0.000 0.038) 7.256 19.130 ( -5.702 0.000 -3.273) 6.574 19.220 ( -0.898 0.000 14.826) 14.854 19.479 ( -2.903 0.000 -11.027) 11.403 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -3.658 0.000 9.601) 10.274 2.426 ( -3.217 0.000 -6.042) 6.845 2.515 ( -1.889 0.000 8.405) 8.614 2.657 ( -8.051 0.000 -6.987) 10.660 2.845 ( 0.789 0.000 2.272) 2.405 2.979 ( 3.370 0.000 -10.253) 10.793 3.076 ( 1.360 0.000 -0.269) 1.386 3.108 ( 5.478 0.000 -2.487) 6.016 3.305 ( -3.894 0.000 2.233) 4.489 3.362 ( -3.281 0.000 -2.582) 4.175 4.174 ( 10.279 0.000 6.024) 11.914 4.245 ( 1.868 0.000 -2.383) 3.028 5.039 ( 3.724 0.000 8.107) 8.921 5.213 ( 2.442 0.000 -8.518) 8.861 5.832 ( 13.992 0.000 4.433) 14.678 5.933 ( 14.148 0.000 -2.790) 14.420 6.378 ( -2.132 0.000 16.762) 16.897 6.625 ( -11.480 0.000 19.137) 22.316 6.633 ( -0.492 0.000 -7.216) 7.233 6.935 ( 6.008 0.000 14.828) 15.999 7.128 ( -18.230 0.000 -23.032) 29.373 7.274 ( 3.997 0.000 -19.048) 19.463 7.615 ( -4.848 0.000 2.849) 5.623 7.730 ( -5.027 0.000 -7.478) 9.011 7.978 ( -22.462 0.000 3.592) 22.748 8.122 ( -31.343 0.000 -11.339) 33.331 8.308 ( 14.319 0.000 10.178) 17.568 8.535 ( 9.703 0.000 -9.432) 13.532 9.436 ( -8.384 0.000 5.374) 9.959 9.566 ( -12.412 0.000 -2.853) 12.735 9.687 ( -10.680 0.000 -0.248) 10.683 9.764 ( -6.548 0.000 -5.005) 8.241 9.904 ( 12.450 0.000 14.985) 19.482 10.167 ( 5.534 0.000 -11.190) 12.483 10.716 ( 10.615 0.000 7.025) 12.729 10.822 ( 3.501 0.000 3.662) 5.066 10.847 ( 11.533 0.000 -5.256) 12.674 10.904 ( 3.699 0.000 -4.721) 5.998 11.595 ( 4.880 0.000 9.780) 10.930 11.649 ( 3.594 0.000 17.142) 17.514 11.805 ( 2.846 0.000 -9.031) 9.469 11.960 ( 3.313 0.000 -0.670) 3.380 11.965 ( -0.988 0.000 -13.719) 13.754 12.042 ( -3.537 0.000 -6.536) 7.432 13.511 ( -5.244 0.000 1.620) 5.488 13.576 ( -4.511 0.000 -4.402) 6.303 13.989 ( 2.497 0.000 10.221) 10.521 14.110 ( 1.687 0.000 2.230) 2.797 14.160 ( 2.271 0.000 -2.261) 3.204 14.170 ( 3.177 0.000 -7.465) 8.113 14.347 ( 1.988 0.000 0.569) 2.068 14.354 ( 1.700 0.000 -0.099) 1.702 15.012 ( -5.801 0.000 2.171) 6.194 15.055 ( -9.194 0.000 -2.028) 9.415 15.717 ( 8.596 0.000 11.302) 14.200 15.864 ( 8.116 0.000 -2.669) 8.544 18.905 ( -11.913 0.000 0.365) 11.918 18.972 ( -10.416 0.000 -5.975) 12.008 19.198 ( -1.297 0.000 11.353) 11.427 19.403 ( -4.796 0.000 -9.183) 10.360 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -2.053 0.000 3.680) 4.214 2.341 ( -5.308 0.000 -8.743) 10.228 2.422 ( -6.607 0.000 1.111) 6.699 2.485 ( -9.144 0.000 -5.455) 10.648 2.851 ( 0.603 0.000 7.030) 7.055 2.985 ( -2.158 0.000 -4.118) 4.650 3.154 ( 6.038 0.000 4.496) 7.528 3.222 ( 5.577 0.000 -1.828) 5.869 3.241 ( -2.346 0.000 -1.459) 2.763 3.295 ( -3.732 0.000 -4.374) 5.750 4.348 ( 9.065 0.000 6.161) 10.960 4.425 ( 13.701 0.000 0.013) 13.701 5.090 ( 1.666 0.000 5.446) 5.695 5.221 ( -1.599 0.000 -7.066) 7.245 6.010 ( 0.263 0.000 19.636) 19.638 6.232 ( 18.139 0.000 2.978) 18.381 6.383 ( 2.582 0.000 12.983) 13.238 6.542 ( 4.188 0.000 -10.094) 10.928 6.637 ( 0.180 0.000 -10.360) 10.361 6.719 ( -22.216 0.000 -22.914) 31.915 7.024 ( 3.210 0.000 14.595) 14.944 7.337 ( 1.295 0.000 -15.642) 15.695 7.476 ( -9.555 0.000 5.926) 11.243 7.553 ( -20.890 0.000 0.749) 20.904 7.592 ( -9.480 0.000 -3.982) 10.282 7.675 ( -13.666 0.000 -8.842) 16.277 8.579 ( 13.209 0.000 8.043) 15.465 8.706 ( 8.464 0.000 -2.834) 8.926 9.290 ( -8.192 0.000 1.283) 8.292 9.371 ( -5.875 0.000 -4.741) 7.550 9.487 ( -9.623 0.000 4.077) 10.451 9.640 ( -6.637 0.000 -9.103) 11.266 10.086 ( 7.130 0.000 8.969) 11.458 10.229 ( 1.559 0.000 -5.484) 5.702 10.895 ( 7.414 0.000 7.051) 10.232 10.917 ( 6.057 0.000 0.862) 6.118 10.966 ( 3.398 0.000 -4.131) 5.349 11.014 ( 5.214 0.000 -4.054) 6.605 11.610 ( -2.475 0.000 7.736) 8.122 11.742 ( -7.272 0.000 -3.913) 8.258 11.751 ( 6.645 0.000 12.275) 13.958 11.960 ( 0.229 0.000 -8.111) 8.114 12.066 ( 5.754 0.000 -2.366) 6.221 12.086 ( 6.413 0.000 -4.379) 7.766 13.415 ( -4.295 0.000 -0.002) 4.295 13.477 ( -5.400 0.000 -5.862) 7.970 14.063 ( 4.948 0.000 10.471) 11.581 14.151 ( 2.289 0.000 2.630) 3.487 14.198 ( 1.424 0.000 -1.859) 2.342 14.233 ( 2.796 0.000 -5.453) 6.128 14.384 ( 1.788 0.000 0.946) 2.023 14.391 ( 1.891 0.000 0.387) 1.930 14.863 ( -8.995 0.000 -1.027) 9.054 14.891 ( -6.942 0.000 -2.882) 7.517 15.892 ( 9.190 0.000 11.643) 14.834 16.020 ( 7.140 0.000 -0.446) 7.154 18.673 ( -11.036 0.000 -0.778) 11.064 18.752 ( -11.647 0.000 -8.063) 14.165 19.177 ( -0.677 0.000 6.605) 6.640 19.306 ( -4.966 0.000 -6.394) 8.096 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 0.696 0.000 -3.392) 3.463 2.245 ( -4.115 0.000 -7.964) 8.964 2.320 ( -2.781 0.000 -2.183) 3.535 2.341 ( -4.894 0.000 -4.251) 6.482 2.877 ( 2.046 0.000 7.359) 7.638 2.927 ( -3.170 0.000 3.719) 4.887 3.217 ( -0.156 0.000 -5.080) 5.083 3.236 ( -2.136 0.000 -5.430) 5.836 3.264 ( 4.291 0.000 3.895) 5.795 3.294 ( 1.338 0.000 0.982) 1.660 4.542 ( 9.365 0.000 9.729) 13.504 4.616 ( 3.634 0.000 4.040) 5.434 5.119 ( 1.883 0.000 1.040) 2.151 5.169 ( -3.122 0.000 -3.673) 4.821 5.996 ( 4.243 0.000 6.394) 7.674 6.251 ( -20.681 0.000 -14.727) 25.388 6.472 ( 6.410 0.000 2.605) 6.919 6.583 ( 16.234 0.000 1.673) 16.320 6.597 ( -5.061 0.000 -9.500) 10.765 6.725 ( 4.232 0.000 -9.559) 10.454 7.073 ( 2.859 0.000 14.058) 14.346 7.183 ( -9.938 0.000 9.246) 13.574 7.302 ( -4.862 0.000 4.360) 6.530 7.387 ( -10.574 0.000 -3.380) 11.101 7.436 ( 2.288 0.000 -12.650) 12.856 7.505 ( -5.306 0.000 -12.772) 13.830 8.792 ( 8.585 0.000 3.748) 9.368 8.853 ( 4.555 0.000 -1.768) 4.886 9.148 ( -3.471 0.000 7.718) 8.462 9.231 ( -8.972 0.000 5.671) 10.614 9.427 ( 2.660 0.000 -8.657) 9.056 9.515 ( -5.923 0.000 -12.223) 13.583 10.190 ( 3.816 0.000 3.777) 5.369 10.235 ( -0.952 0.000 -0.815) 1.253 11.003 ( 4.075 0.000 3.857) 5.611 11.021 ( 3.647 0.000 -1.714) 4.029 11.030 ( 2.447 0.000 -2.637) 3.597 11.052 ( -0.756 0.000 -0.781) 1.087 11.560 ( -1.123 0.000 4.799) 4.928 11.605 ( -5.684 0.000 0.851) 5.747 11.876 ( 5.695 0.000 6.280) 8.478 11.950 ( -1.891 0.000 -0.926) 2.105 12.163 ( 3.355 0.000 -2.116) 3.967 12.175 ( 2.218 0.000 -3.579) 4.211 13.363 ( -0.777 0.000 -2.574) 2.689 13.389 ( -3.291 0.000 -4.997) 5.983 14.167 ( 5.465 0.000 8.431) 10.047 14.190 ( 1.669 0.000 1.283) 2.105 14.209 ( -0.226 0.000 -0.582) 0.624 14.247 ( -2.015 0.000 1.736) 2.660 14.412 ( 0.980 0.000 1.255) 1.592 14.416 ( 0.617 0.000 0.906) 1.096 14.746 ( -2.192 0.000 -4.333) 4.856 14.776 ( -4.536 0.000 -6.113) 7.612 16.047 ( 6.239 0.000 9.601) 11.450 16.103 ( 0.863 0.000 4.395) 4.479 18.527 ( -3.208 0.000 -4.207) 5.291 18.565 ( -6.763 0.000 -7.616) 10.185 19.180 ( 1.125 0.000 1.642) 1.990 19.224 ( -3.430 0.000 -2.780) 4.415 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 0.000 -5.533 2.506) 6.074 2.389 ( 0.000 -5.570 5.540) 7.856 2.464 ( 0.000 4.889 16.305) 17.023 2.766 ( 0.000 3.609 -8.215) 8.973 2.840 ( 0.000 3.917 -11.741) 12.378 2.842 ( 0.000 1.043 -5.382) 5.482 3.054 ( 0.000 3.185 2.138) 3.836 3.123 ( 0.000 -1.958 -5.054) 5.421 3.301 ( 0.000 -7.492 3.366) 8.214 3.406 ( 0.000 -8.303 -6.318) 10.434 3.871 ( 0.000 -10.006 14.125) 17.310 4.132 ( 0.000 -11.813 -11.884) 16.757 5.077 ( 0.000 12.596 9.391) 15.712 5.256 ( 0.000 10.920 -8.024) 13.551 5.566 ( 0.000 1.322 -4.050) 4.260 5.575 ( 0.000 1.289 -5.375) 5.527 6.695 ( 0.000 0.333 21.269) 21.271 6.698 ( 0.000 12.706 14.885) 19.570 6.904 ( 0.000 19.452 -3.778) 19.815 7.022 ( 0.000 0.614 26.109) 26.117 7.196 ( 0.000 3.738 -14.212) 14.695 7.461 ( 0.000 0.519 3.317) 3.357 7.712 ( 0.000 1.496 -0.019) 1.496 7.794 ( 0.000 1.318 -7.066) 7.188 8.081 ( 0.000 1.877 -8.469) 8.674 8.196 ( 0.000 1.391 -24.602) 24.641 8.883 ( 0.000 -7.723 16.998) 18.670 9.009 ( 0.000 2.564 4.051) 4.794 9.467 ( 0.000 0.164 -5.857) 5.860 9.524 ( 0.000 -8.096 -11.646) 14.184 9.626 ( 0.000 6.086 5.997) 8.544 9.805 ( 0.000 2.725 -9.955) 10.321 10.045 ( 0.000 -0.532 4.887) 4.916 10.131 ( 0.000 -2.652 -2.868) 3.907 10.540 ( 0.000 2.605 1.476) 2.994 10.551 ( 0.000 -7.665 4.630) 8.955 10.580 ( 0.000 2.622 0.655) 2.703 10.701 ( 0.000 -1.715 -7.752) 7.939 11.325 ( 0.000 -6.668 10.922) 12.796 11.523 ( 0.000 -6.281 -0.166) 6.283 11.742 ( 0.000 6.904 3.496) 7.739 11.991 ( 0.000 0.816 7.678) 7.721 11.992 ( 0.000 -1.005 -13.623) 13.660 12.205 ( 0.000 1.184 -12.537) 12.592 13.674 ( 0.000 3.507 1.458) 3.798 13.682 ( 0.000 2.464 0.342) 2.488 14.007 ( 0.000 1.760 4.245) 4.595 14.052 ( 0.000 -1.720 -1.622) 2.364 14.114 ( 0.000 1.155 0.375) 1.214 14.168 ( 0.000 4.154 -3.833) 5.652 14.310 ( 0.000 0.853 0.150) 0.866 14.313 ( 0.000 -0.569 -0.207) 0.606 15.074 ( 0.000 -2.933 5.718) 6.426 15.172 ( 0.000 -4.886 -3.823) 6.204 15.539 ( 0.000 1.634 12.376) 12.483 15.708 ( 0.000 -0.505 -4.499) 4.527 19.139 ( 0.000 -3.854 -0.217) 3.860 19.153 ( 0.000 -1.103 -1.538) 1.893 19.194 ( 0.000 -3.162 14.989) 15.319 19.458 ( 0.000 -4.609 -11.218) 12.128 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -4.001 -2.647 6.199) 7.838 2.397 ( -0.502 -4.246 -3.065) 5.261 2.511 ( 3.368 2.740 15.005) 15.621 2.767 ( -0.742 0.151 -7.992) 8.028 2.852 ( 1.146 2.807 -0.401) 3.058 2.914 ( 5.126 2.968 -7.536) 9.585 3.070 ( 1.382 1.506 -0.915) 2.239 3.120 ( 0.357 1.832 -5.314) 5.632 3.277 ( -1.728 -7.130 2.316) 7.693 3.359 ( -4.258 -7.441 -4.944) 9.897 3.884 ( 1.893 -11.699 11.666) 16.630 4.103 ( -2.679 -12.105 -10.144) 16.019 5.132 ( 5.309 13.638 9.036) 17.200 5.308 ( 4.994 12.005 -8.057) 15.297 5.620 ( 7.175 0.964 -0.513) 7.258 5.691 ( 9.928 0.579 -6.702) 11.992 6.519 ( -8.604 4.452 20.205) 22.407 6.790 ( -5.438 6.261 1.997) 8.530 6.893 ( 3.917 11.571 14.566) 19.011 6.935 ( -6.653 7.303 21.735) 23.875 7.232 ( 4.016 3.360 -16.989) 17.777 7.404 ( -7.501 1.668 -8.548) 11.494 7.693 ( -2.241 1.340 -0.123) 2.614 7.797 ( -2.176 -0.127 -10.772) 10.990 8.027 ( -1.015 -1.472 2.420) 3.008 8.283 ( 2.240 -2.793 -18.493) 18.836 8.585 ( -15.410 7.840 11.859) 20.966 8.847 ( -19.949 7.090 -13.544) 25.133 9.392 ( 2.411 -7.605 10.091) 12.863 9.597 ( -1.253 -9.060 -6.592) 11.274 9.762 ( 8.402 1.830 7.831) 11.630 9.827 ( -10.043 -4.639 1.822) 11.211 9.951 ( -6.892 3.125 0.683) 7.598 10.119 ( 10.527 9.470 -12.352) 18.791 10.574 ( 5.554 1.931 3.147) 6.669 10.633 ( 7.414 -1.060 -2.367) 7.854 10.704 ( 7.209 -4.717 3.834) 9.430 10.772 ( 6.305 -0.563 -4.049) 7.514 11.377 ( 5.007 -7.601 10.221) 13.686 11.563 ( 3.928 -6.126 1.880) 7.516 11.728 ( -0.942 4.030 0.717) 4.200 11.958 ( -2.620 -0.863 -5.456) 6.114 11.977 ( -1.803 -0.315 -1.251) 2.216 12.157 ( -4.700 0.684 -11.017) 11.997 13.642 ( -2.991 3.819 1.426) 5.056 13.671 ( -1.583 2.914 -1.121) 3.500 13.994 ( -0.603 1.810 5.929) 6.228 14.061 ( 1.129 -1.531 -1.358) 2.337 14.131 ( 1.066 1.025 -0.162) 1.487 14.179 ( 1.465 3.952 -4.012) 5.819 14.321 ( 1.134 0.137 0.036) 1.143 14.323 ( 1.084 0.145 -0.262) 1.125 15.070 ( -0.910 -1.898 4.742) 5.188 15.152 ( -2.738 -3.487 -3.087) 5.403 15.574 ( 3.744 -0.036 11.405) 12.004 15.725 ( 2.328 -1.678 -3.447) 4.485 19.085 ( -6.778 -0.729 -1.258) 6.932 19.089 ( -5.195 -3.335 -1.530) 6.360 19.183 ( -1.089 -3.375 13.843) 14.290 19.428 ( -3.028 -4.731 -10.585) 11.983 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -2.267 -0.161 4.488) 5.031 2.376 ( -1.764 -2.102 -8.147) 8.596 2.557 ( 0.367 3.175 10.472) 10.948 2.717 ( -5.112 2.602 -4.399) 7.229 2.844 ( -1.141 -0.582 5.697) 5.839 2.973 ( -0.418 0.558 -6.808) 6.843 3.077 ( 0.584 -1.838 0.360) 1.962 3.155 ( 1.771 2.246 -4.897) 5.671 3.256 ( -0.482 -3.290 0.390) 3.348 3.305 ( -0.125 -3.934 -3.642) 5.362 3.969 ( 7.123 -15.509 5.005) 17.785 4.061 ( -0.337 -13.951 -4.644) 14.708 5.254 ( 6.567 17.169 8.116) 20.094 5.418 ( 5.438 15.780 -7.775) 18.413 5.828 ( 13.581 0.170 4.285) 14.241 5.927 ( 13.873 -0.248 -3.098) 14.216 6.385 ( -4.975 0.451 20.557) 21.155 6.626 ( -9.523 1.078 11.384) 14.881 6.758 ( -6.178 8.890 -4.012) 11.546 7.036 ( 5.243 7.975 13.066) 16.180 7.149 ( -17.153 1.515 -20.400) 26.696 7.308 ( 1.938 2.081 -13.156) 13.460 7.587 ( -9.672 -3.444 1.253) 10.343 7.698 ( -7.378 -1.507 -6.937) 10.239 7.976 ( -6.508 3.551 0.326) 7.421 8.087 ( -18.388 1.536 -10.495) 21.228 8.484 ( 4.677 12.006 10.048) 16.340 8.681 ( 3.054 10.844 -7.320) 13.435 9.385 ( -3.433 -4.097 3.653) 6.475 9.493 ( -8.939 -6.394 -1.798) 11.137 9.621 ( -9.697 -4.796 -0.716) 10.842 9.684 ( -6.516 -6.920 -4.314) 10.439 10.065 ( 9.687 12.843 12.305) 20.253 10.283 ( 4.982 9.811 -8.939) 14.177 10.735 ( 10.185 1.171 4.644) 11.255 10.791 ( 4.715 -3.059 3.890) 6.835 10.837 ( 10.603 -0.735 -3.155) 11.087 10.902 ( 6.204 0.012 -5.313) 8.168 11.479 ( 4.663 -8.951 10.897) 14.853 11.637 ( 2.265 -3.179 11.412) 12.061 11.733 ( 1.782 -5.552 -10.543) 12.048 11.898 ( -3.796 -3.363 -9.937) 11.156 11.955 ( 0.586 -1.189 1.280) 1.842 12.055 ( -4.427 -1.099 -6.370) 7.834 13.567 ( -4.554 4.910 0.893) 6.756 13.617 ( -3.911 3.715 -3.794) 6.595 14.003 ( 1.505 0.764 6.656) 6.867 14.094 ( 1.976 -2.264 -1.713) 3.459 14.148 ( 1.266 1.800 1.778) 2.829 14.227 ( 3.258 3.328 -4.003) 6.141 14.351 ( 1.889 -0.211 -0.032) 1.900 14.355 ( 2.127 0.721 -0.171) 2.252 15.022 ( -4.101 0.948 1.857) 4.601 15.055 ( -7.043 0.061 -1.292) 7.161 15.679 ( 6.839 -3.373 10.631) 13.083 15.810 ( 6.233 -4.868 -1.941) 8.143 18.908 ( -11.099 0.481 -0.797) 11.138 18.946 ( -9.409 -2.064 -4.337) 10.564 19.155 ( -1.646 -3.899 10.481) 11.303 19.348 ( -5.004 -5.058 -8.839) 11.347 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -0.055 2.483 0.906) 2.644 2.331 ( -2.745 0.955 -9.099) 9.552 2.498 ( -5.804 5.666 4.488) 9.270 2.575 ( -8.752 6.021 -2.592) 10.934 2.835 ( 0.437 -1.982 6.575) 6.881 2.947 ( -1.296 -3.055 -3.396) 4.748 3.105 ( 1.553 -4.464 1.989) 5.128 3.166 ( -0.521 -5.071 -3.097) 5.965 3.265 ( 1.464 1.786 -0.039) 2.310 3.320 ( 1.158 2.144 -3.924) 4.619 4.100 ( 5.996 -18.555 3.879) 19.882 4.155 ( 9.133 -19.960 -1.001) 21.973 5.359 ( 4.169 21.020 5.849) 22.213 5.482 ( 0.957 20.406 -6.243) 21.361 6.029 ( 2.529 2.031 17.423) 17.723 6.208 ( 15.488 -0.970 5.176) 16.359 6.345 ( 2.784 -3.290 9.581) 10.505 6.544 ( 2.823 0.721 -5.356) 6.097 6.695 ( -2.906 2.366 -10.626) 11.268 6.732 ( -20.417 1.948 -24.632) 32.053 7.127 ( 1.635 5.073 9.716) 11.082 7.242 ( -9.729 -8.521 -0.369) 12.939 7.436 ( -3.538 -1.086 -4.248) 5.634 7.445 ( -17.022 -6.753 -4.825) 18.938 7.788 ( -6.512 19.540 1.147) 20.629 7.891 ( -6.999 15.694 -6.757) 18.465 8.654 ( 10.717 6.262 9.078) 15.378 8.786 ( 6.362 6.697 -2.851) 9.667 9.284 ( -7.428 -0.670 0.488) 7.474 9.341 ( -5.287 -3.030 -2.015) 6.418 9.463 ( -6.468 -2.028 0.437) 6.793 9.579 ( -4.938 -5.245 -7.934) 10.716 10.213 ( 5.990 11.443 8.368) 15.390 10.339 ( 1.398 9.793 -4.298) 10.786 10.891 ( 5.964 -2.114 1.632) 6.534 10.924 ( 8.647 1.287 4.483) 9.825 10.964 ( 3.362 1.131 -3.523) 4.999 11.035 ( 6.236 1.490 -3.683) 7.394 11.528 ( -0.647 -8.005 9.326) 12.308 11.636 ( -2.603 -5.344 6.093) 8.512 11.748 ( 0.008 -4.194 -2.904) 5.101 11.851 ( 0.820 -8.369 -7.395) 11.198 12.000 ( 3.107 -7.120 -1.767) 7.967 12.030 ( 1.288 -5.040 -2.551) 5.794 13.482 ( -3.779 6.005 -0.514) 7.114 13.531 ( -4.648 4.923 -5.157) 8.511 14.041 ( 2.185 -2.229 5.340) 6.185 14.119 ( 0.434 -4.907 -2.483) 5.517 14.196 ( 3.538 3.808 4.983) 7.201 14.290 ( 2.794 3.024 -2.996) 5.092 14.388 ( 1.783 0.211 0.657) 1.911 14.396 ( 1.909 0.546 0.110) 1.989 14.911 ( -6.674 4.592 -0.478) 8.115 14.931 ( -5.156 3.970 -1.789) 6.749 15.822 ( 7.692 -6.447 10.680) 14.656 15.935 ( 5.824 -7.868 0.023) 9.790 18.693 ( -10.230 1.979 -1.521) 10.531 18.749 ( -10.374 -0.045 -6.642) 12.318 19.127 ( -1.077 -4.630 5.911) 7.585 19.248 ( -5.132 -5.439 -6.244) 9.742 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 1.537 4.520 -3.212) 5.755 2.281 ( -2.224 3.882 -6.646) 8.012 2.400 ( -2.667 6.707 -0.098) 7.219 2.428 ( -5.360 6.941 -2.566) 9.138 2.862 ( 2.156 -1.647 6.274) 6.836 2.910 ( -2.565 -1.820 2.459) 3.992 3.125 ( 0.743 -6.247 -2.461) 6.756 3.144 ( -1.274 -6.519 -3.466) 7.492 3.312 ( 2.707 2.406 1.235) 3.826 3.339 ( 0.180 2.292 -1.012) 2.512 4.230 ( 6.274 -22.622 6.354) 24.320 4.280 ( 2.191 -23.814 2.138) 24.010 5.423 ( 2.762 22.349 1.961) 22.604 5.468 ( -1.877 22.408 -2.529) 22.628 6.028 ( 3.657 3.081 7.354) 8.771 6.249 ( -16.722 0.640 -8.172) 18.623 6.458 ( 6.177 -0.118 -3.851) 7.280 6.545 ( 5.671 -1.498 -4.737) 7.540 6.626 ( 5.738 0.813 -2.787) 6.431 6.737 ( 1.678 0.013 -10.014) 10.154 7.049 ( -6.814 -9.520 3.201) 12.137 7.054 ( -7.653 -6.005 3.759) 10.429 7.281 ( 1.248 -1.092 5.430) 5.678 7.365 ( -5.078 -2.838 -2.074) 6.176 7.723 ( -0.615 24.912 -3.312) 25.139 7.767 ( -5.012 23.115 -6.051) 24.413 8.845 ( 8.081 4.394 3.136) 9.718 8.900 ( 3.790 3.875 -2.039) 5.792 9.154 ( -3.719 0.607 6.243) 7.292 9.215 ( -7.553 -1.602 5.300) 9.365 9.426 ( 1.958 -0.361 -7.575) 7.832 9.490 ( -4.222 -2.314 -10.440) 11.496 10.303 ( 3.453 10.454 3.711) 11.618 10.344 ( -0.864 10.004 -0.426) 10.050 10.985 ( 3.059 -1.756 -1.326) 3.768 11.004 ( 0.908 -0.383 -2.848) 3.013 11.066 ( 5.530 3.733 2.834) 7.249 11.108 ( 1.302 3.805 -0.717) 4.085 11.483 ( -1.624 -6.947 5.241) 8.853 11.528 ( -5.970 -6.513 1.246) 8.923 11.816 ( 4.892 -5.678 4.977) 8.996 11.872 ( -0.395 -7.256 -0.576) 7.290 12.046 ( 1.541 -12.009 -3.293) 12.548 12.057 ( 0.598 -9.789 -3.346) 10.362 13.436 ( -0.779 6.492 -2.631) 7.048 13.456 ( -2.760 6.051 -4.555) 8.061 14.082 ( 1.987 -5.145 2.939) 6.250 14.112 ( -1.061 -6.085 -0.201) 6.180 14.268 ( 3.597 4.192 4.391) 7.056 14.315 ( -0.653 3.343 0.643) 3.467 14.413 ( 0.817 0.074 1.223) 1.472 14.419 ( 0.346 0.237 0.644) 0.768 14.828 ( -1.518 7.621 -2.592) 8.192 14.847 ( -3.119 6.868 -3.883) 8.484 15.954 ( 5.309 -8.735 8.770) 13.469 16.002 ( 0.612 -9.376 4.214) 10.298 18.556 ( -3.165 2.825 -4.121) 5.914 18.584 ( -5.796 1.988 -6.657) 9.048 19.123 ( 0.848 -5.295 1.211) 5.497 19.163 ( -3.396 -5.590 -2.905) 7.156 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 0.000 1.689 -0.619) 1.798 2.339 ( 0.000 2.801 -1.842) 3.353 2.605 ( 0.000 7.687 12.260) 14.471 2.742 ( 0.000 -10.407 3.635) 11.024 2.806 ( 0.000 -0.579 -4.803) 4.838 2.900 ( 0.000 -16.945 -4.418) 17.512 2.951 ( 0.000 5.896 -1.738) 6.146 3.139 ( 0.000 3.187 -7.690) 8.324 3.166 ( 0.000 -2.811 3.812) 4.737 3.316 ( 0.000 -0.835 -7.655) 7.700 3.689 ( 0.000 -6.011 7.606) 9.694 3.879 ( 0.000 -11.559 -10.425) 15.566 5.333 ( 0.000 10.271 4.908) 11.383 5.444 ( 0.000 5.511 -6.794) 8.748 5.605 ( 0.000 2.260 -2.125) 3.102 5.611 ( 0.000 1.872 -3.865) 4.295 6.719 ( 0.000 2.260 20.419) 20.543 6.859 ( 0.000 -1.007 16.271) 16.302 7.154 ( 0.000 12.410 20.259) 23.758 7.349 ( 0.000 13.798 0.685) 13.815 7.363 ( 0.000 13.012 -2.569) 13.264 7.495 ( 0.000 7.602 -1.629) 7.775 7.736 ( 0.000 -0.007 -1.843) 1.843 7.805 ( 0.000 -0.754 -7.575) 7.613 8.149 ( 0.000 4.942 -7.279) 8.798 8.260 ( 0.000 5.240 -14.743) 15.647 8.678 ( 0.000 -10.483 8.652) 13.592 8.962 ( 0.000 -9.343 -12.663) 15.737 9.366 ( 0.000 -4.854 1.260) 5.015 9.411 ( 0.000 -4.209 -1.060) 4.341 9.809 ( 0.000 8.998 2.184) 9.259 9.895 ( 0.000 4.967 -5.725) 7.579 10.054 ( 0.000 1.731 1.866) 2.545 10.072 ( 0.000 -2.312 0.684) 2.411 10.361 ( 0.000 -8.724 3.721) 9.485 10.443 ( 0.000 -8.771 -4.209) 9.728 10.675 ( 0.000 6.287 4.210) 7.567 10.803 ( 0.000 8.108 -8.417) 11.687 11.146 ( 0.000 -8.939 10.807) 14.025 11.347 ( 0.000 -10.272 -6.647) 12.235 11.901 ( 0.000 7.443 0.329) 7.450 11.983 ( 0.000 0.062 -6.504) 6.505 12.013 ( 0.000 1.492 7.469) 7.616 12.194 ( 0.000 -2.648 -9.511) 9.873 13.745 ( 0.000 3.134 0.656) 3.202 13.756 ( 0.000 3.573 -0.303) 3.586 14.024 ( 0.000 -0.862 0.240) 0.895 14.043 ( 0.000 0.576 -1.488) 1.596 14.147 ( 0.000 2.816 6.423) 7.013 14.256 ( 0.000 3.176 -4.138) 5.216 14.297 ( 0.000 -0.387 1.856) 1.896 14.337 ( 0.000 1.269 -1.659) 2.089 14.998 ( 0.000 -3.643 2.790) 4.589 15.048 ( 0.000 -6.129 -1.939) 6.429 15.590 ( 0.000 3.007 9.123) 9.606 15.690 ( 0.000 -1.276 -0.901) 1.563 19.061 ( 0.000 -2.819 3.709) 4.659 19.106 ( 0.000 -3.902 10.156) 10.879 19.151 ( 0.000 0.762 -2.579) 2.689 19.335 ( 0.000 -6.624 -9.757) 11.793 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -0.794 3.855 0.433) 3.960 2.372 ( 1.746 2.791 -4.823) 5.840 2.614 ( 0.695 6.171 10.509) 12.207 2.716 ( -1.597 -6.972 0.950) 7.216 2.840 ( 1.597 -3.141 2.918) 4.575 2.909 ( 0.594 -13.931 2.087) 14.099 2.990 ( 3.416 3.114 -7.945) 9.191 3.122 ( -2.643 -4.756 -9.139) 10.637 3.195 ( 4.128 2.650 1.543) 5.142 3.280 ( -3.161 0.100 -4.656) 5.628 3.679 ( -0.615 -6.160 6.337) 8.859 3.852 ( -2.699 -10.948 -9.737) 14.898 5.408 ( 7.667 10.858 4.868) 14.155 5.517 ( 7.550 6.051 -6.330) 11.562 5.662 ( 7.043 3.223 -0.022) 7.745 5.712 ( 8.957 1.238 -4.718) 10.199 6.610 ( -9.436 4.464 22.818) 25.092 6.804 ( -6.932 -2.805 15.532) 17.238 7.124 ( -4.251 8.599 12.558) 15.803 7.241 ( -7.443 14.708 0.998) 16.514 7.331 ( -2.955 4.937 1.097) 5.857 7.490 ( -3.695 8.428 -12.693) 15.678 7.691 ( -6.290 -2.525 -4.763) 8.284 7.777 ( -4.021 -2.456 -9.273) 10.401 8.105 ( 0.319 9.422 2.278) 9.699 8.314 ( 2.557 7.812 -12.503) 14.963 8.647 ( -1.538 -3.676 9.215) 10.039 8.928 ( -3.983 -2.793 -14.225) 15.034 9.305 ( -1.621 0.467 4.516) 4.820 9.427 ( -1.656 -4.699 -5.750) 7.608 9.656 ( -11.605 -7.405 3.708) 14.257 9.714 ( -11.324 -6.846 -1.418) 13.309 10.127 ( 9.593 9.970 8.238) 16.103 10.310 ( 13.390 7.548 -9.416) 18.026 10.499 ( 12.157 -7.951 4.151) 15.108 10.550 ( 8.858 -4.741 -1.668) 10.184 10.710 ( 3.483 4.903 5.292) 8.011 10.850 ( 4.130 7.473 -8.307) 11.913 11.176 ( 3.139 -10.670 10.430) 15.247 11.376 ( 2.927 -11.134 -6.884) 13.413 11.843 ( -5.553 6.173 0.925) 8.354 11.941 ( -4.215 -0.323 -7.157) 8.312 11.981 ( -3.035 0.406 6.048) 6.779 12.130 ( -6.303 -3.420 -7.881) 10.656 13.730 ( -1.573 3.973 0.323) 4.285 13.747 ( -1.006 3.772 -1.084) 4.051 14.011 ( -1.043 -0.576 1.309) 1.770 14.045 ( 0.096 -0.559 -2.043) 2.120 14.166 ( 1.863 3.138 5.733) 6.796 14.270 ( 1.282 4.080 -4.196) 5.991 14.305 ( 1.046 -1.048 2.039) 2.519 14.347 ( 1.052 1.129 -1.765) 2.345 15.016 ( 1.644 -2.769 2.656) 4.174 15.059 ( 0.787 -4.785 -1.431) 5.056 15.588 ( 0.026 1.511 8.800) 8.929 15.682 ( -0.568 -2.343 -0.475) 2.458 19.022 ( -4.008 -2.227 2.416) 5.183 19.076 ( -4.135 -1.670 1.716) 4.778 19.109 ( -3.182 -1.225 5.086) 6.123 19.300 ( -3.455 -6.919 -9.158) 11.986 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 0.541 6.234 0.438) 6.273 2.399 ( 0.942 4.590 -7.791) 9.092 2.630 ( 0.806 3.500 7.797) 8.584 2.698 ( -0.126 -4.118 0.912) 4.220 2.820 ( -3.846 -2.276 8.644) 9.731 2.908 ( -1.538 -10.079 5.527) 11.598 3.007 ( -2.218 -1.773 -10.626) 10.999 3.073 ( -1.975 -6.706 -9.045) 11.431 3.249 ( 2.043 1.491 1.239) 2.816 3.302 ( 5.033 2.138 -3.108) 6.290 3.687 ( 1.799 -8.912 2.637) 9.467 3.789 ( -3.145 -10.626 -6.730) 12.965 5.611 ( 12.544 14.095 5.250) 19.585 5.719 ( 12.561 9.863 -5.305) 16.829 5.861 ( 12.890 3.763 3.082) 13.778 5.933 ( 13.473 0.872 -2.777) 13.783 6.411 ( -10.319 2.795 23.815) 26.105 6.623 ( -9.729 -2.310 12.560) 16.054 6.938 ( -12.446 7.455 -9.488) 17.335 7.149 ( -10.787 -1.993 -5.038) 12.071 7.202 ( -6.299 7.022 -0.131) 9.434 7.329 ( -11.584 0.336 -10.002) 15.308 7.518 ( -8.648 -2.270 -1.129) 9.012 7.621 ( -12.924 -5.595 -10.393) 17.502 8.191 ( 6.759 15.127 4.997) 17.306 8.326 ( -0.620 20.936 -8.193) 22.491 8.664 ( 3.780 2.388 13.066) 13.810 8.883 ( 0.553 6.283 -6.679) 9.186 9.293 ( -1.142 -4.487 -0.558) 4.663 9.335 ( -6.871 -7.205 -0.172) 9.957 9.507 ( -4.233 -7.505 -3.101) 9.157 9.521 ( -7.252 -5.680 -3.539) 9.868 10.345 ( 10.908 11.634 9.794) 18.715 10.497 ( 6.525 7.293 -5.157) 11.061 10.717 ( 7.867 -2.030 5.057) 9.570 10.756 ( 11.762 1.632 0.815) 11.903 10.825 ( 9.730 0.012 1.130) 9.795 10.938 ( 5.035 5.093 -7.279) 10.211 11.252 ( 3.978 -12.510 9.868) 16.423 11.451 ( 4.469 -12.840 -7.016) 15.299 11.713 ( -7.455 2.833 1.930) 8.205 11.835 ( -6.401 -2.061 -7.922) 10.391 11.916 ( -3.409 -2.587 2.129) 4.780 11.978 ( -8.438 -5.616 -3.584) 10.751 13.686 ( -2.794 5.772 -0.283) 6.419 13.714 ( -2.407 4.926 -2.796) 6.155 13.990 ( -1.134 -1.907 1.764) 2.834 14.036 ( -1.187 -3.257 -2.700) 4.394 14.218 ( 3.415 4.295 5.218) 7.572 14.303 ( 2.206 3.730 -1.960) 4.756 14.340 ( 2.445 -0.911 0.572) 2.671 14.375 ( 1.740 0.762 -1.647) 2.514 15.046 ( 1.190 1.231 1.913) 2.567 15.063 ( -0.424 0.721 0.072) 0.840 15.601 ( 1.443 -3.251 8.249) 8.983 15.684 ( 1.069 -6.421 0.155) 6.512 18.912 ( -7.184 -0.373 -0.418) 7.206 18.940 ( -8.879 2.623 -3.448) 9.879 19.054 ( -2.886 -5.003 7.833) 9.732 19.210 ( -5.691 -7.675 -7.655) 12.243 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 2.009 7.619 -0.330) 7.886 2.409 ( 0.193 6.419 -7.091) 9.566 2.616 ( -2.910 5.361 5.490) 8.207 2.677 ( -4.602 3.490 1.008) 5.863 2.751 ( 0.048 -5.878 7.007) 9.146 2.855 ( -1.814 -7.022 -1.073) 7.331 2.985 ( -0.145 -5.739 -2.202) 6.149 3.037 ( -2.111 -6.812 -4.837) 8.617 3.310 ( 3.441 2.616 1.000) 4.437 3.369 ( 1.794 2.135 -3.767) 4.687 3.740 ( 2.273 -13.857 0.402) 14.048 3.762 ( 1.457 -15.034 -1.890) 15.222 5.822 ( 7.379 20.051 6.031) 22.201 5.930 ( 7.103 20.500 -4.562) 22.170 6.100 ( 8.412 4.921 11.886) 15.371 6.203 ( 11.867 -0.189 7.757) 14.178 6.268 ( 1.629 -3.530 10.940) 11.610 6.538 ( 2.817 -2.506 -3.449) 5.109 6.731 ( -8.054 1.276 -12.587) 14.997 6.761 ( -22.195 0.646 -25.359) 33.706 7.095 ( -12.522 -4.115 1.526) 13.269 7.131 ( -5.797 -3.663 2.097) 7.171 7.321 ( -15.373 -4.991 -2.211) 16.314 7.372 ( -7.492 -4.773 -4.207) 9.830 8.304 ( 4.039 22.237 2.334) 22.721 8.325 ( 0.697 28.589 -0.097) 28.598 8.779 ( 7.535 4.061 10.633) 13.650 8.925 ( 2.934 5.090 -3.609) 6.895 9.212 ( -4.731 -7.299 3.130) 9.244 9.268 ( -1.959 -4.226 -2.872) 5.472 9.410 ( -4.417 -2.996 -4.081) 6.719 9.458 ( -1.986 -4.805 -7.387) 9.033 10.508 ( 6.110 14.890 7.117) 17.598 10.585 ( 3.030 11.788 -0.865) 12.202 10.843 ( 6.315 -1.551 5.262) 8.365 10.946 ( 6.989 2.581 -3.088) 8.065 11.018 ( 8.952 1.755 -0.753) 9.154 11.057 ( 7.008 1.178 -2.482) 7.527 11.310 ( 1.760 -11.492 9.543) 15.041 11.537 ( 3.123 -14.496 -11.267) 18.623 11.570 ( -5.870 -0.702 6.346) 8.673 11.710 ( -5.836 -4.937 -6.097) 9.778 11.815 ( -6.074 -8.835 1.976) 10.902 11.877 ( -2.984 -8.753 -3.146) 9.768 13.634 ( -2.415 7.704 -1.200) 8.162 13.661 ( -2.861 6.886 -3.787) 8.363 13.968 ( -1.065 -4.606 1.151) 4.866 14.004 ( -1.910 -5.901 -2.373) 6.641 14.288 ( 3.611 4.255 4.498) 7.168 14.348 ( 2.191 2.499 -0.600) 3.377 14.386 ( 2.002 -0.465 0.489) 2.113 14.407 ( 1.409 0.223 -0.799) 1.635 15.049 ( -0.480 8.239 1.411) 8.373 15.061 ( 0.202 8.257 0.400) 8.269 15.645 ( 2.994 -9.685 8.021) 12.927 15.718 ( 1.907 -12.039 1.094) 12.238 18.760 ( -7.927 3.931 -2.606) 9.224 18.773 ( -7.798 3.466 -3.873) 9.371 19.001 ( -2.403 -6.878 3.920) 8.273 19.096 ( -5.709 -8.569 -5.677) 11.758 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 2.154 8.094 -0.876) 8.421 2.407 ( -0.621 7.861 -3.068) 8.461 2.557 ( -1.692 7.456 1.555) 7.802 2.579 ( -3.815 6.615 0.374) 7.645 2.793 ( 2.966 -4.876 4.283) 7.136 2.838 ( -1.242 -5.194 0.897) 5.415 2.981 ( -0.129 -7.395 -3.091) 8.016 2.996 ( -1.723 -7.334 -3.632) 8.364 3.366 ( 2.163 3.320 0.657) 4.017 3.386 ( 0.096 2.728 -1.114) 2.948 3.778 ( 2.290 -18.446 2.597) 18.768 3.801 ( 0.600 -19.884 0.545) 19.900 5.906 ( 3.207 20.311 2.676) 20.735 5.963 ( -2.056 22.769 -2.470) 22.994 6.115 ( 1.794 4.720 7.561) 9.093 6.287 ( -11.830 2.767 -3.314) 12.593 6.469 ( 7.813 0.651 -2.662) 8.280 6.544 ( 13.641 1.682 -4.621) 14.500 6.636 ( 2.202 1.233 -5.677) 6.212 6.715 ( 2.191 -1.755 -10.146) 10.528 6.858 ( -8.892 -7.336 2.511) 11.798 6.934 ( -12.592 -3.399 -4.384) 13.760 7.152 ( -1.926 -11.353 3.558) 12.053 7.223 ( -7.493 -10.480 -3.159) 13.265 8.338 ( 0.766 30.018 2.177) 30.107 8.345 ( 0.348 29.072 2.006) 29.143 8.926 ( 6.649 1.654 3.213) 7.567 8.975 ( 1.495 2.195 -2.994) 4.003 9.149 ( -1.449 -2.557 5.475) 6.214 9.194 ( -5.263 1.756 1.396) 5.721 9.380 ( 1.239 -5.221 -5.906) 7.980 9.419 ( -2.213 -4.692 -8.677) 10.110 10.592 ( 2.803 16.042 4.686) 16.946 10.617 ( 0.237 14.974 2.149) 15.129 10.955 ( 4.822 -1.096 0.408) 4.962 11.008 ( -0.209 0.849 -4.888) 4.966 11.164 ( 5.609 3.928 1.980) 7.128 11.186 ( 6.195 3.386 0.519) 7.079 11.305 ( -1.410 -8.438 6.435) 10.705 11.398 ( -8.743 -4.149 -1.167) 9.748 11.653 ( 2.460 -9.489 0.576) 9.820 11.667 ( 4.466 -12.246 -2.287) 13.234 11.724 ( -2.972 -15.673 -0.043) 15.953 11.801 ( -5.332 -13.037 -4.879) 14.906 13.603 ( -0.558 8.891 -2.457) 9.241 13.615 ( -1.666 8.577 -3.559) 9.434 13.956 ( 0.025 -6.915 0.155) 6.917 13.971 ( -1.403 -7.450 -1.249) 7.684 14.348 ( 2.462 3.196 2.860) 4.945 14.373 ( 0.031 2.308 0.449) 2.351 14.413 ( 0.939 -0.197 1.247) 1.574 14.422 ( 0.109 -0.058 0.373) 0.393 15.049 ( 0.461 13.240 0.782) 13.271 15.059 ( -0.404 13.171 -0.006) 13.177 15.705 ( 2.817 -14.486 6.683) 16.200 15.737 ( -0.277 -15.344 3.647) 15.774 18.649 ( -2.970 6.065 -3.784) 7.741 18.657 ( -3.697 5.282 -4.541) 7.886 18.975 ( -0.035 -8.407 -0.022) 8.407 19.006 ( -3.334 -9.002 -3.218) 10.125 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 0.000 -3.060 1.237) 3.301 2.442 ( 0.000 3.060 1.237) 3.301 2.577 ( 0.000 -6.541 -2.363) 6.955 2.577 ( 0.000 6.541 -2.363) 6.955 2.749 ( 0.000 -5.425 2.776) 6.094 2.749 ( 0.000 5.425 2.776) 6.094 3.065 ( 0.000 -4.790 -2.872) 5.585 3.065 ( 0.000 4.790 -2.872) 5.585 3.263 ( 0.000 -5.050 -1.637) 5.309 3.263 ( 0.000 5.050 -1.637) 5.309 3.685 ( 0.000 -5.853 -4.431) 7.341 3.685 ( 0.000 5.853 -4.431) 7.341 5.470 ( 0.000 -2.712 -2.203) 3.494 5.470 ( 0.000 2.712 -2.203) 3.494 5.635 ( 0.000 -0.048 -1.879) 1.880 5.635 ( 0.000 0.048 -1.879) 1.880 6.788 ( 0.000 -4.089 16.855) 17.344 6.788 ( 0.000 4.089 16.855) 17.344 7.346 ( 0.000 -5.808 15.787) 16.821 7.346 ( 0.000 5.808 15.787) 16.821 7.651 ( 0.000 -9.965 -1.495) 10.077 7.651 ( 0.000 9.966 -1.495) 10.077 7.738 ( 0.000 -6.912 -11.289) 13.237 7.738 ( 0.000 6.912 -11.289) 13.237 8.287 ( 0.000 -6.767 6.501) 9.384 8.287 ( 0.000 6.767 6.501) 9.384 8.668 ( 0.000 -13.752 -18.540) 23.084 8.668 ( 0.000 13.752 -18.540) 23.084 9.340 ( 0.000 -1.716 1.399) 2.214 9.340 ( 0.000 1.716 1.399) 2.214 9.933 ( 0.000 -2.438 0.746) 2.549 9.933 ( 0.000 2.438 0.746) 2.549 10.076 ( 0.000 -1.698 2.469) 2.996 10.076 ( 0.000 1.698 2.469) 2.996 10.285 ( 0.000 -3.864 -3.979) 5.546 10.285 ( 0.000 3.864 -3.979) 5.546 10.830 ( 0.000 -7.137 5.749) 9.165 10.830 ( 0.000 7.137 5.749) 9.165 11.128 ( 0.000 -8.964 -5.849) 10.704 11.128 ( 0.000 8.964 -5.849) 10.704 11.983 ( 0.000 -0.624 -1.615) 1.731 11.983 ( 0.000 0.624 -1.615) 1.731 12.097 ( 0.000 -5.981 -1.429) 6.149 12.097 ( 0.000 5.981 -1.429) 6.149 13.790 ( 0.000 -0.601 -0.356) 0.699 13.790 ( 0.000 0.601 -0.356) 0.699 14.027 ( 0.000 -1.140 -0.421) 1.216 14.027 ( 0.000 1.140 -0.421) 1.216 14.227 ( 0.000 -3.796 4.256) 5.702 14.227 ( 0.000 3.796 4.256) 5.702 14.337 ( 0.000 -1.604 -2.438) 2.918 14.337 ( 0.000 1.604 -2.438) 2.918 14.963 ( 0.000 -1.170 0.110) 1.176 14.963 ( 0.000 1.170 0.110) 1.176 15.651 ( 0.000 -2.541 4.163) 4.877 15.651 ( 0.000 2.541 4.163) 4.877 19.045 ( 0.000 -1.388 7.791) 7.914 19.045 ( 0.000 1.388 7.791) 7.914 19.210 ( 0.000 -4.768 -7.214) 8.647 19.210 ( 0.000 4.768 -7.214) 8.647 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 0.840 -4.650 0.653) 4.770 2.450 ( 0.840 4.650 0.653) 4.770 2.591 ( 1.389 -6.239 -2.717) 6.945 2.591 ( 1.389 6.239 -2.717) 6.945 2.769 ( 1.181 -4.778 5.964) 7.733 2.769 ( 1.181 4.778 5.964) 7.733 3.049 ( -1.959 -2.492 -7.805) 8.424 3.049 ( -1.959 2.492 -7.805) 8.424 3.258 ( 0.362 -2.860 1.680) 3.337 3.258 ( 0.362 2.860 1.680) 3.337 3.674 ( -1.198 -5.306 -4.676) 7.174 3.674 ( -1.198 5.306 -4.676) 7.174 5.546 ( 8.057 -2.566 -1.372) 8.567 5.546 ( 8.057 2.566 -1.372) 8.567 5.720 ( 8.590 -1.207 -1.865) 8.873 5.720 ( 8.590 1.207 -1.865) 8.873 6.713 ( -7.624 -5.212 18.808) 20.953 6.713 ( -7.624 5.212 18.808) 20.953 7.262 ( -7.887 -4.646 9.797) 13.408 7.262 ( -7.887 4.646 9.797) 13.408 7.565 ( -9.277 -9.714 -7.286) 15.281 7.565 ( -9.277 9.714 -7.286) 15.281 7.676 ( -6.069 -7.036 -9.773) 13.486 7.676 ( -6.069 7.036 -9.773) 13.486 8.363 ( 7.113 -12.274 11.208) 18.079 8.363 ( 7.113 12.274 11.208) 18.079 8.691 ( 2.904 -15.716 -16.345) 22.860 8.691 ( 2.904 15.716 -16.345) 22.860 9.379 ( 2.405 -3.922 0.392) 4.618 9.379 ( 2.405 3.922 0.392) 4.618 9.585 ( -19.304 -3.247 -0.357) 19.579 9.585 ( -19.304 3.247 -0.357) 19.579 10.306 ( 8.975 -7.260 5.055) 12.602 10.306 ( 8.975 7.260 5.055) 12.602 10.455 ( 16.461 -3.859 -4.478) 17.490 10.455 ( 16.461 3.859 -4.478) 17.490 10.874 ( 4.197 -9.027 6.719) 12.010 10.874 ( 4.197 9.027 6.719) 12.010 11.133 ( 0.691 -10.326 -6.861) 12.417 11.133 ( 0.691 10.326 -6.861) 12.417 11.932 ( -5.110 -1.464 -2.016) 5.685 11.932 ( -5.110 1.464 -2.016) 5.685 12.031 ( -6.469 -5.041 -0.974) 8.259 12.031 ( -6.469 5.041 -0.974) 8.259 13.786 ( -0.535 -0.698 -0.691) 1.118 13.786 ( -0.535 0.698 -0.691) 1.118 14.015 ( -1.304 -1.432 -0.586) 2.023 14.015 ( -1.304 1.432 -0.586) 2.023 14.249 ( 2.090 -3.729 3.983) 5.843 14.249 ( 2.090 3.729 3.983) 5.843 14.344 ( 0.760 -1.818 -2.534) 3.210 14.344 ( 0.760 1.818 -2.534) 3.210 14.990 ( 2.792 -1.033 0.602) 3.037 14.990 ( 2.792 1.033 0.602) 3.037 15.632 ( -1.894 -2.406 4.134) 5.144 15.632 ( -1.894 2.406 4.134) 5.144 19.017 ( -2.825 -1.849 6.370) 7.209 19.017 ( -2.825 1.849 6.370) 7.209 19.168 ( -4.241 -5.218 -6.493) 9.348 19.168 ( -4.241 5.218 -6.493) 9.348 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 1.334 -5.277 -0.749) 5.495 2.472 ( 1.334 5.277 -0.749) 5.495 2.627 ( 2.392 -4.716 -2.428) 5.819 2.627 ( 2.392 4.716 -2.428) 5.819 2.764 ( -2.040 -2.104 10.226) 10.638 2.764 ( -2.040 2.104 10.226) 10.638 2.989 ( -3.685 -0.835 -10.840) 11.480 2.989 ( -3.685 0.835 -10.840) 11.480 3.298 ( 3.436 -2.350 2.671) 4.946 3.298 ( 3.436 2.350 2.671) 4.946 3.640 ( -2.239 -3.499 -4.541) 6.154 3.640 ( -2.239 3.499 -4.541) 6.154 5.778 ( 15.646 -2.419 0.975) 15.862 5.778 ( 15.646 2.419 0.975) 15.862 5.944 ( 13.785 -1.284 -0.911) 13.874 5.944 ( 13.785 1.284 -0.911) 13.874 6.520 ( -11.285 -6.752 18.429) 22.640 6.520 ( -11.285 6.752 18.429) 22.640 7.067 ( -12.780 -5.198 -5.122) 14.717 7.067 ( -12.780 5.198 -5.122) 14.717 7.314 ( -14.954 -2.883 -9.394) 17.894 7.314 ( -14.954 2.883 -9.394) 17.894 7.519 ( -10.306 -3.028 -5.290) 11.974 7.519 ( -10.306 3.028 -5.290) 11.974 8.524 ( 8.999 -14.236 13.380) 21.510 8.524 ( 8.999 14.236 13.380) 21.510 8.779 ( 5.651 -17.685 -10.519) 21.339 8.779 ( 5.651 17.685 -10.519) 21.339 9.249 ( -11.540 -2.437 2.600) 12.077 9.249 ( -11.540 2.437 2.600) 12.077 9.435 ( -0.378 -1.939 -5.372) 5.724 9.435 ( -0.378 1.939 -5.372) 5.724 10.496 ( 10.903 -4.105 4.079) 12.344 10.496 ( 10.903 4.105 4.079) 12.344 10.746 ( 12.595 -2.647 -0.524) 12.881 10.746 ( 12.595 2.647 -0.524) 12.881 10.970 ( 5.490 -12.214 7.720) 15.457 10.970 ( 5.490 12.214 7.720) 15.457 11.160 ( 2.114 -13.552 -8.713) 16.249 11.160 ( 2.114 13.552 -8.713) 16.249 11.798 ( -8.543 -3.630 -1.796) 9.454 11.798 ( -8.543 3.630 -1.796) 9.455 11.881 ( -8.202 -1.293 -1.038) 8.368 11.881 ( -8.202 1.293 -1.038) 8.368 13.770 ( -1.000 -1.044 -1.384) 2.001 13.770 ( -1.000 1.044 -1.384) 2.001 13.973 ( -3.085 -1.641 -1.084) 3.659 13.973 ( -3.085 1.641 -1.084) 3.659 14.299 ( 2.942 -3.052 3.566) 5.539 14.299 ( 2.942 3.052 3.566) 5.539 14.367 ( 1.551 -1.787 -2.369) 3.348 14.367 ( 1.551 1.787 -2.369) 3.348 15.068 ( 5.234 -0.569 1.654) 5.518 15.068 ( 5.234 0.569 1.654) 5.518 15.584 ( -2.915 -2.262 3.893) 5.364 15.584 ( -2.915 2.262 3.893) 5.364 18.941 ( -4.876 -2.942 2.887) 6.385 18.941 ( -4.876 2.942 2.887) 6.385 19.058 ( -6.817 -6.079 -4.802) 10.319 19.058 ( -6.817 6.079 -4.802) 10.319 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 1.752 -4.412 -0.943) 4.840 2.500 ( 1.752 4.412 -0.943) 4.840 2.676 ( 0.346 -5.067 2.354) 5.598 2.676 ( 0.346 5.067 2.354) 5.598 2.706 ( -1.043 -2.229 2.854) 3.769 2.706 ( -1.043 2.229 2.854) 3.769 2.929 ( -2.749 -1.710 -5.186) 6.114 2.929 ( -2.749 1.710 -5.186) 6.114 3.372 ( 4.101 -2.571 0.515) 4.867 3.372 ( 4.101 2.571 0.515) 4.867 3.592 ( -2.707 -1.156 -2.765) 4.038 3.592 ( -2.707 1.156 -2.765) 4.038 6.096 ( 12.150 -6.437 8.670) 16.256 6.096 ( 12.150 6.437 8.670) 16.256 6.185 ( 10.831 -2.285 5.158) 12.212 6.185 ( 10.831 2.285 5.158) 12.212 6.378 ( 1.090 -13.119 0.113) 13.165 6.378 ( 1.090 13.119 0.113) 13.165 6.759 ( -16.927 -1.416 -16.635) 23.775 6.759 ( -16.927 1.416 -16.635) 23.775 7.066 ( -10.886 -1.093 -0.546) 10.954 7.066 ( -10.886 1.093 -0.546) 10.954 7.283 ( -14.013 -2.163 -4.000) 14.732 7.283 ( -14.013 2.163 -4.000) 14.732 8.687 ( 7.538 -9.494 10.328) 15.925 8.687 ( 7.538 9.494 10.328) 15.925 8.869 ( 2.509 -13.850 -1.938) 14.208 8.869 ( 2.509 13.850 -1.938) 14.208 9.126 ( -0.804 -4.268 -1.488) 4.591 9.126 ( -0.804 4.268 -1.488) 4.591 9.396 ( -3.706 -1.665 -6.233) 7.440 9.396 ( -3.706 1.665 -6.233) 7.440 10.702 ( 9.933 -1.874 3.936) 10.848 10.702 ( 9.933 1.874 3.936) 10.848 10.910 ( 4.346 -7.678 5.845) 10.583 10.910 ( 4.346 7.678 5.845) 10.583 11.100 ( 7.890 -8.116 2.050) 11.503 11.100 ( 7.890 8.116 2.050) 11.503 11.209 ( 3.051 -14.435 -8.967) 17.265 11.209 ( 3.051 14.435 -8.967) 17.265 11.621 ( -9.072 -4.819 1.360) 10.362 11.621 ( -9.072 4.819 1.360) 10.362 11.733 ( -7.333 -3.062 -3.265) 8.591 11.733 ( -7.333 3.062 -3.265) 8.591 13.756 ( -0.235 -1.314 -1.875) 2.301 13.756 ( -0.235 1.314 -1.875) 2.301 13.901 ( -4.227 -1.559 -1.630) 4.791 13.901 ( -4.227 1.559 -1.630) 4.791 14.354 ( 2.658 -2.057 2.862) 4.415 14.354 ( 2.658 2.057 2.862) 4.415 14.397 ( 1.326 -1.278 -1.283) 2.244 14.397 ( 1.326 1.278 -1.283) 2.244 15.186 ( 6.829 -0.907 2.635) 7.376 15.186 ( 6.829 0.907 2.635) 7.376 15.521 ( -3.724 -2.488 3.472) 5.667 15.521 ( -3.724 2.488 3.472) 5.667 18.846 ( -4.453 -3.915 -0.570) 5.957 18.846 ( -4.453 3.915 -0.570) 5.957 18.923 ( -6.734 -6.225 -3.487) 9.811 18.923 ( -6.734 6.225 -3.487) 9.811 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 2.831 -3.167 1.232) 4.423 2.544 ( 2.831 3.167 1.232) 4.423 2.609 ( -3.875 -2.628 3.449) 5.815 2.609 ( -3.875 2.628 3.449) 5.815 2.774 ( 4.772 -2.561 -2.255) 5.867 2.774 ( 4.772 2.561 -2.255) 5.867 2.864 ( -4.210 -1.629 -2.794) 5.309 2.864 ( -4.210 1.629 -2.794) 5.309 3.455 ( 4.457 -0.946 0.400) 4.574 3.455 ( 4.457 0.946 0.400) 4.574 3.533 ( -3.512 -0.038 -0.267) 3.522 3.533 ( -3.512 0.038 -0.267) 3.522 6.143 ( 2.801 -3.478 5.242) 6.886 6.143 ( 2.801 3.478 5.242) 6.886 6.291 ( -10.367 -6.149 -5.671) 13.321 6.291 ( -10.367 6.149 -5.671) 13.321 6.536 ( 16.552 -4.497 1.962) 17.264 6.536 ( 16.552 4.497 1.962) 17.264 6.684 ( 8.496 -1.216 -7.387) 11.324 6.684 ( 8.496 1.216 -7.387) 11.324 6.862 ( -9.661 -10.770 0.970) 14.501 6.862 ( -9.661 10.770 0.970) 14.501 6.995 ( -15.262 -8.014 -6.078) 18.278 6.995 ( -15.262 8.014 -6.078) 18.278 8.805 ( 4.639 -5.259 6.780) 9.754 8.805 ( 4.639 5.259 6.780) 9.754 8.868 ( -1.956 -7.528 3.684) 8.606 8.868 ( -1.956 7.528 3.684) 8.606 9.188 ( 5.634 -6.869 -4.766) 10.082 9.188 ( 5.634 6.869 -4.766) 10.082 9.302 ( -5.768 -4.632 -6.095) 9.585 9.302 ( -5.768 4.632 -6.095) 9.585 10.861 ( 6.365 -1.342 4.894) 8.140 10.861 ( 6.365 1.342 4.894) 8.140 10.937 ( -1.300 -6.051 7.079) 9.403 10.937 ( -1.300 6.051 7.079) 9.403 11.220 ( 4.600 -5.014 -2.644) 7.301 11.220 ( 4.600 5.014 -2.644) 7.301 11.274 ( 1.139 -8.077 -7.041) 10.776 11.274 ( 1.139 8.078 -7.041) 10.776 11.504 ( -0.710 -3.191 2.159) 3.918 11.504 ( -0.710 3.191 2.159) 3.918 11.593 ( -7.167 -4.470 -2.918) 8.936 11.593 ( -7.167 4.470 -2.918) 8.936 13.769 ( 1.729 -1.435 -2.049) 3.041 13.769 ( 1.729 1.435 -2.049) 3.041 13.822 ( -3.672 -1.496 -1.972) 4.429 13.822 ( -3.672 1.496 -1.972) 4.429 14.396 ( 1.557 -1.384 1.741) 2.714 14.396 ( 1.557 1.384 1.741) 2.714 14.411 ( 0.032 -1.075 0.307) 1.119 14.411 ( 0.032 1.075 0.307) 1.119 15.319 ( 6.769 -2.085 3.165) 7.758 15.319 ( 6.769 2.085 3.165) 7.758 15.436 ( -5.245 -2.688 3.270) 6.740 15.436 ( -5.245 2.688 3.270) 6.740 18.790 ( -0.920 -4.636 -2.487) 5.341 18.790 ( -0.920 4.636 -2.487) 5.341 18.818 ( -3.745 -5.479 -3.087) 7.320 18.818 ( -3.745 5.479 -3.087) 7.319 =================== 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 3/29160 10.0 12442.914 9623.959 11035.859 0.000 0.000 -0.000 3/29160 20.0 820.105 856.478 879.365 0.000 0.000 -0.000 3/29160 30.0 258.083 293.121 293.546 0.000 0.000 -0.000 3/29160 40.0 121.862 143.787 141.544 0.000 0.000 -0.000 3/29160 50.0 71.089 85.996 83.360 0.000 0.000 -0.000 3/29160 60.0 47.223 57.893 55.564 0.000 0.000 -0.000 3/29160 70.0 34.207 42.124 40.254 0.000 0.000 -0.000 3/29160 80.0 26.336 32.394 30.947 0.000 0.000 -0.000 3/29160 90.0 21.201 25.969 24.860 0.000 0.000 -0.000 3/29160 100.0 17.651 21.499 20.648 0.000 0.000 -0.000 3/29160 110.0 15.080 18.257 17.600 0.000 0.000 -0.000 3/29160 120.0 13.148 15.823 15.312 0.000 0.000 -0.000 3/29160 130.0 11.650 13.943 13.542 0.000 0.000 -0.000 3/29160 140.0 10.460 12.455 12.137 0.000 0.000 -0.000 3/29160 150.0 9.493 11.251 10.998 0.000 0.000 -0.000 3/29160 160.0 8.692 10.260 10.058 0.000 0.000 -0.000 3/29160 170.0 8.020 9.432 9.269 0.000 0.000 -0.000 3/29160 180.0 7.447 8.730 8.599 0.000 0.000 -0.000 3/29160 190.0 6.953 8.127 8.022 0.000 0.000 -0.000 3/29160 200.0 6.523 7.605 7.521 0.000 0.000 -0.000 3/29160 210.0 6.145 7.148 7.081 0.000 0.000 -0.000 3/29160 220.0 5.810 6.744 6.692 0.000 0.000 -0.000 3/29160 230.0 5.511 6.386 6.345 0.000 0.000 -0.000 3/29160 240.0 5.243 6.065 6.033 0.000 0.000 -0.000 3/29160 250.0 5.000 5.776 5.753 0.000 0.000 -0.000 3/29160 260.0 4.780 5.514 5.498 0.000 0.000 -0.000 3/29160 270.0 4.579 5.276 5.266 0.000 0.000 -0.000 3/29160 280.0 4.395 5.058 5.053 0.000 0.000 -0.000 3/29160 290.0 4.226 4.859 4.858 0.000 0.000 -0.000 3/29160 300.0 4.070 4.675 4.677 0.000 0.000 -0.000 3/29160 310.0 3.925 4.505 4.511 0.000 0.000 -0.000 3/29160 320.0 3.791 4.347 4.356 0.000 0.000 -0.000 3/29160 330.0 3.666 4.201 4.211 0.000 0.000 -0.000 3/29160 340.0 3.549 4.064 4.077 0.000 0.000 -0.000 3/29160 350.0 3.439 3.936 3.950 0.000 0.000 -0.000 3/29160 360.0 3.336 3.816 3.832 0.000 0.000 -0.000 3/29160 370.0 3.240 3.704 3.721 0.000 0.000 -0.000 3/29160 380.0 3.149 3.598 3.616 0.000 0.000 -0.000 3/29160 390.0 3.063 3.499 3.517 0.000 0.000 -0.000 3/29160 400.0 2.982 3.404 3.424 0.000 0.000 -0.000 3/29160 410.0 2.905 3.315 3.336 0.000 0.000 -0.000 3/29160 420.0 2.832 3.231 3.252 0.000 0.000 -0.000 3/29160 430.0 2.762 3.151 3.172 0.000 0.000 -0.000 3/29160 440.0 2.696 3.075 3.096 0.000 0.000 -0.000 3/29160 450.0 2.634 3.002 3.024 0.000 0.000 -0.000 3/29160 460.0 2.574 2.933 2.955 0.000 0.000 -0.000 3/29160 470.0 2.517 2.867 2.890 0.000 0.000 -0.000 3/29160 480.0 2.462 2.804 2.827 0.000 0.000 -0.000 3/29160 490.0 2.410 2.744 2.767 0.000 0.000 -0.000 3/29160 500.0 2.360 2.687 2.709 0.000 0.000 -0.000 3/29160 510.0 2.312 2.631 2.654 0.000 0.000 -0.000 3/29160 520.0 2.266 2.578 2.601 0.000 0.000 -0.000 3/29160 530.0 2.221 2.528 2.550 0.000 0.000 -0.000 3/29160 540.0 2.179 2.479 2.502 0.000 0.000 -0.000 3/29160 550.0 2.138 2.432 2.455 0.000 0.000 -0.000 3/29160 560.0 2.099 2.387 2.409 0.000 0.000 -0.000 3/29160 570.0 2.061 2.343 2.366 0.000 0.000 -0.000 3/29160 580.0 2.024 2.302 2.324 0.000 0.000 -0.000 3/29160 590.0 1.989 2.261 2.283 0.000 0.000 -0.000 3/29160 600.0 1.955 2.222 2.244 0.000 0.000 -0.000 3/29160 610.0 1.922 2.185 2.207 0.000 0.000 -0.000 3/29160 620.0 1.890 2.148 2.170 0.000 0.000 -0.000 3/29160 630.0 1.860 2.113 2.135 0.000 0.000 -0.000 3/29160 640.0 1.830 2.079 2.101 0.000 0.000 -0.000 3/29160 650.0 1.801 2.046 2.068 0.000 0.000 -0.000 3/29160 660.0 1.773 2.014 2.036 0.000 0.000 -0.000 3/29160 670.0 1.746 1.983 2.005 0.000 0.000 -0.000 3/29160 680.0 1.720 1.954 1.975 0.000 0.000 -0.000 3/29160 690.0 1.695 1.924 1.945 0.000 0.000 -0.000 3/29160 700.0 1.670 1.896 1.917 0.000 0.000 -0.000 3/29160 710.0 1.646 1.869 1.890 0.000 0.000 -0.000 3/29160 720.0 1.623 1.842 1.863 0.000 0.000 -0.000 3/29160 730.0 1.600 1.817 1.837 0.000 0.000 -0.000 3/29160 740.0 1.578 1.791 1.812 0.000 0.000 -0.000 3/29160 750.0 1.557 1.767 1.787 0.000 0.000 -0.000 3/29160 760.0 1.536 1.743 1.763 0.000 0.000 -0.000 3/29160 770.0 1.516 1.720 1.740 0.000 0.000 -0.000 3/29160 780.0 1.496 1.698 1.717 0.000 0.000 -0.000 3/29160 790.0 1.477 1.676 1.695 0.000 0.000 -0.000 3/29160 800.0 1.458 1.654 1.674 0.000 0.000 -0.000 3/29160 810.0 1.440 1.634 1.653 0.000 0.000 -0.000 3/29160 820.0 1.422 1.613 1.632 0.000 0.000 -0.000 3/29160 830.0 1.405 1.594 1.612 0.000 0.000 -0.000 3/29160 840.0 1.388 1.574 1.593 0.000 0.000 -0.000 3/29160 850.0 1.371 1.555 1.574 0.000 0.000 -0.000 3/29160 860.0 1.355 1.537 1.555 0.000 0.000 -0.000 3/29160 870.0 1.339 1.519 1.537 0.000 0.000 -0.000 3/29160 880.0 1.324 1.502 1.520 0.000 0.000 -0.000 3/29160 890.0 1.309 1.485 1.502 0.000 0.000 -0.000 3/29160 900.0 1.294 1.468 1.485 0.000 0.000 -0.000 3/29160 910.0 1.280 1.451 1.469 0.000 0.000 -0.000 3/29160 920.0 1.266 1.435 1.453 0.000 0.000 -0.000 3/29160 930.0 1.252 1.420 1.437 0.000 0.000 -0.000 3/29160 940.0 1.238 1.404 1.422 0.000 0.000 -0.000 3/29160 950.0 1.225 1.389 1.406 0.000 0.000 -0.000 3/29160 960.0 1.212 1.375 1.392 0.000 0.000 -0.000 3/29160 970.0 1.200 1.360 1.377 0.000 0.000 -0.000 3/29160 980.0 1.187 1.346 1.363 0.000 0.000 -0.000 3/29160 990.0 1.175 1.333 1.349 0.000 0.000 -0.000 3/29160 1000.0 1.163 1.319 1.335 0.000 0.000 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m969.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:12:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|