----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:20:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.006748115000000 -5.220032040000000 0.000000000000000 b 2.006748115000000 5.220032040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.447415950000000 Atomic positions (fractional): *1 Hf 0.80748662338152 0.19251337661848 0.25000000000000 178.490 *2 Hf 0.85606760443803 0.14393239556197 0.94291319512811 178.490 3 Hf 0.85606760443803 0.14393239556197 0.55708680487189 178.490 4 Hf 0.19251337661848 0.80748662338152 0.75000000000000 178.490 5 Hf 0.14393239556197 0.85606760443803 0.05708680487189 178.490 6 Hf 0.14393239556197 0.85606760443803 0.44291319512811 178.490 *7 N 0.69893424843997 0.30106575156003 0.42146816771715 14.007 8 N 0.69893424843997 0.30106575156003 0.07853183228285 14.007 9 N 0.30106575156003 0.69893424843997 0.57853183228285 14.007 10 N 0.30106575156003 0.69893424843997 0.92146816771715 14.007 *11 O 0.75267558426043 0.24732441573957 0.75000000000000 15.999 *12 O 0.95629210736217 0.04370789263783 0.11635483364369 15.999 13 O 0.95629210736217 0.04370789263783 0.38364516635631 15.999 14 O 0.24732441573957 0.75267558426043 0.25000000000000 15.999 15 O 0.04370789263783 0.95629210736217 0.88364516635631 15.999 16 O 0.04370789263783 0.95629210736217 0.61635483364369 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.013496229999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.440064080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.447415950000000 Atomic positions (fractional): *1 Hf 0.00000000000000 0.19251337661848 0.25000000000000 178.490 > 1 *2 Hf 0.00000000000000 0.14393239556197 0.94291319512811 178.490 > 2 3 Hf 0.00000000000000 0.14393239556197 0.55708680487189 178.490 > 3 4 Hf 0.50000000000000 0.30748662338152 0.75000000000000 178.490 > 4 5 Hf 0.50000000000000 0.35606760443803 0.05708680487189 178.490 > 5 6 Hf 0.50000000000000 0.35606760443803 0.44291319512811 178.490 > 6 7 Hf 0.50000000000000 0.69251337661848 0.25000000000000 178.490 > 1 8 Hf 0.50000000000000 0.64393239556197 0.94291319512811 178.490 > 2 9 Hf 0.50000000000000 0.64393239556197 0.55708680487189 178.490 > 3 10 Hf 0.00000000000000 0.80748662338152 0.75000000000000 178.490 > 4 11 Hf 0.00000000000000 0.85606760443803 0.05708680487189 178.490 > 5 12 Hf 0.00000000000000 0.85606760443803 0.44291319512811 178.490 > 6 *13 N 0.00000000000000 0.30106575156003 0.42146816771715 14.007 > 7 14 N 0.00000000000000 0.30106575156003 0.07853183228285 14.007 > 8 15 N 0.50000000000000 0.19893424843997 0.57853183228285 14.007 > 9 16 N 0.50000000000000 0.19893424843997 0.92146816771715 14.007 > 10 17 N 0.50000000000000 0.80106575156003 0.42146816771715 14.007 > 7 18 N 0.50000000000000 0.80106575156003 0.07853183228285 14.007 > 8 19 N 0.00000000000000 0.69893424843997 0.57853183228285 14.007 > 9 20 N 0.00000000000000 0.69893424843997 0.92146816771715 14.007 > 10 *21 O 0.00000000000000 0.24732441573957 0.75000000000000 15.999 > 11 *22 O 0.00000000000000 0.04370789263783 0.11635483364369 15.999 > 12 23 O 0.00000000000000 0.04370789263783 0.38364516635631 15.999 > 13 24 O 0.50000000000000 0.25267558426043 0.25000000000000 15.999 > 14 25 O 0.50000000000000 0.45629210736217 0.88364516635631 15.999 > 15 26 O 0.50000000000000 0.45629210736217 0.61635483364369 15.999 > 16 27 O 0.50000000000000 0.74732441573957 0.75000000000000 15.999 > 11 28 O 0.50000000000000 0.54370789263783 0.11635483364369 15.999 > 12 29 O 0.50000000000000 0.54370789263783 0.38364516635631 15.999 > 13 30 O 0.00000000000000 0.75267558426043 0.25000000000000 15.999 > 14 31 O 0.00000000000000 0.95629210736217 0.88364516635631 15.999 > 15 32 O 0.00000000000000 0.95629210736217 0.61635483364369 15.999 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.040488689999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.440064080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.447415950000000 Atomic positions (fractional): *1 Hf 0.00000000000000 0.19251337661848 0.25000000000000 178.490 > 1 2 Hf 0.33333333333333 0.19251337661848 0.25000000000000 178.490 > 1 3 Hf 0.66666666666667 0.19251337661848 0.25000000000000 178.490 > 1 *4 Hf 0.00000000000000 0.14393239556197 0.94291319512811 178.490 > 2 5 Hf 0.33333333333333 0.14393239556197 0.94291319512811 178.490 > 2 6 Hf 0.66666666666667 0.14393239556197 0.94291319512811 178.490 > 2 7 Hf 0.00000000000000 0.14393239556197 0.55708680487189 178.490 > 3 8 Hf 0.33333333333333 0.14393239556197 0.55708680487189 178.490 > 3 9 Hf 0.66666666666667 0.14393239556197 0.55708680487189 178.490 > 3 10 Hf 0.16666666666667 0.30748662338152 0.75000000000000 178.490 > 4 11 Hf 0.50000000000000 0.30748662338152 0.75000000000000 178.490 > 4 12 Hf 0.83333333333333 0.30748662338152 0.75000000000000 178.490 > 4 13 Hf 0.16666666666667 0.35606760443803 0.05708680487189 178.490 > 5 14 Hf 0.50000000000000 0.35606760443803 0.05708680487189 178.490 > 5 15 Hf 0.83333333333333 0.35606760443803 0.05708680487189 178.490 > 5 16 Hf 0.16666666666667 0.35606760443803 0.44291319512811 178.490 > 6 17 Hf 0.50000000000000 0.35606760443803 0.44291319512811 178.490 > 6 18 Hf 0.83333333333333 0.35606760443803 0.44291319512811 178.490 > 6 19 Hf 0.16666666666667 0.69251337661848 0.25000000000000 178.490 > 1 20 Hf 0.50000000000000 0.69251337661848 0.25000000000000 178.490 > 1 21 Hf 0.83333333333333 0.69251337661848 0.25000000000000 178.490 > 1 22 Hf 0.16666666666667 0.64393239556197 0.94291319512811 178.490 > 2 23 Hf 0.50000000000000 0.64393239556197 0.94291319512811 178.490 > 2 24 Hf 0.83333333333333 0.64393239556197 0.94291319512811 178.490 > 2 25 Hf 0.16666666666667 0.64393239556197 0.55708680487189 178.490 > 3 26 Hf 0.50000000000000 0.64393239556197 0.55708680487189 178.490 > 3 27 Hf 0.83333333333333 0.64393239556197 0.55708680487189 178.490 > 3 28 Hf 0.00000000000000 0.80748662338152 0.75000000000000 178.490 > 4 29 Hf 0.33333333333333 0.80748662338152 0.75000000000000 178.490 > 4 30 Hf 0.66666666666667 0.80748662338152 0.75000000000000 178.490 > 4 31 Hf 0.00000000000000 0.85606760443803 0.05708680487189 178.490 > 5 32 Hf 0.33333333333333 0.85606760443803 0.05708680487189 178.490 > 5 33 Hf 0.66666666666667 0.85606760443803 0.05708680487189 178.490 > 5 34 Hf 0.00000000000000 0.85606760443803 0.44291319512811 178.490 > 6 35 Hf 0.33333333333333 0.85606760443803 0.44291319512811 178.490 > 6 36 Hf 0.66666666666667 0.85606760443803 0.44291319512811 178.490 > 6 *37 N 0.00000000000000 0.30106575156003 0.42146816771715 14.007 > 7 38 N 0.33333333333333 0.30106575156003 0.42146816771715 14.007 > 7 39 N 0.66666666666667 0.30106575156003 0.42146816771715 14.007 > 7 40 N 0.00000000000000 0.30106575156003 0.07853183228285 14.007 > 8 41 N 0.33333333333333 0.30106575156003 0.07853183228285 14.007 > 8 42 N 0.66666666666667 0.30106575156003 0.07853183228285 14.007 > 8 43 N 0.16666666666667 0.19893424843997 0.57853183228285 14.007 > 9 44 N 0.50000000000000 0.19893424843997 0.57853183228285 14.007 > 9 45 N 0.83333333333333 0.19893424843997 0.57853183228285 14.007 > 9 46 N 0.16666666666667 0.19893424843997 0.92146816771715 14.007 > 10 47 N 0.50000000000000 0.19893424843997 0.92146816771715 14.007 > 10 48 N 0.83333333333333 0.19893424843997 0.92146816771715 14.007 > 10 49 N 0.16666666666667 0.80106575156003 0.42146816771715 14.007 > 7 50 N 0.50000000000000 0.80106575156003 0.42146816771715 14.007 > 7 51 N 0.83333333333333 0.80106575156003 0.42146816771715 14.007 > 7 52 N 0.16666666666667 0.80106575156003 0.07853183228285 14.007 > 8 53 N 0.50000000000000 0.80106575156003 0.07853183228285 14.007 > 8 54 N 0.83333333333333 0.80106575156003 0.07853183228285 14.007 > 8 55 N 0.00000000000000 0.69893424843997 0.57853183228285 14.007 > 9 56 N 0.33333333333333 0.69893424843997 0.57853183228285 14.007 > 9 57 N 0.66666666666667 0.69893424843997 0.57853183228285 14.007 > 9 58 N 0.00000000000000 0.69893424843997 0.92146816771715 14.007 > 10 59 N 0.33333333333333 0.69893424843997 0.92146816771715 14.007 > 10 60 N 0.66666666666667 0.69893424843997 0.92146816771715 14.007 > 10 *61 O 0.00000000000000 0.24732441573957 0.75000000000000 15.999 > 11 62 O 0.33333333333333 0.24732441573957 0.75000000000000 15.999 > 11 63 O 0.66666666666667 0.24732441573957 0.75000000000000 15.999 > 11 *64 O 0.00000000000000 0.04370789263783 0.11635483364369 15.999 > 12 65 O 0.33333333333333 0.04370789263783 0.11635483364369 15.999 > 12 66 O 0.66666666666667 0.04370789263783 0.11635483364369 15.999 > 12 67 O 0.00000000000000 0.04370789263783 0.38364516635631 15.999 > 13 68 O 0.33333333333333 0.04370789263783 0.38364516635631 15.999 > 13 69 O 0.66666666666667 0.04370789263783 0.38364516635631 15.999 > 13 70 O 0.16666666666667 0.25267558426043 0.25000000000000 15.999 > 14 71 O 0.50000000000000 0.25267558426043 0.25000000000000 15.999 > 14 72 O 0.83333333333333 0.25267558426043 0.25000000000000 15.999 > 14 73 O 0.16666666666667 0.45629210736217 0.88364516635631 15.999 > 15 74 O 0.50000000000000 0.45629210736217 0.88364516635631 15.999 > 15 75 O 0.83333333333333 0.45629210736217 0.88364516635631 15.999 > 15 76 O 0.16666666666667 0.45629210736217 0.61635483364369 15.999 > 16 77 O 0.50000000000000 0.45629210736217 0.61635483364369 15.999 > 16 78 O 0.83333333333333 0.45629210736217 0.61635483364369 15.999 > 16 79 O 0.16666666666667 0.74732441573957 0.75000000000000 15.999 > 11 80 O 0.50000000000000 0.74732441573957 0.75000000000000 15.999 > 11 81 O 0.83333333333333 0.74732441573957 0.75000000000000 15.999 > 11 82 O 0.16666666666667 0.54370789263783 0.11635483364369 15.999 > 12 83 O 0.50000000000000 0.54370789263783 0.11635483364369 15.999 > 12 84 O 0.83333333333333 0.54370789263783 0.11635483364369 15.999 > 12 85 O 0.16666666666667 0.54370789263783 0.38364516635631 15.999 > 13 86 O 0.50000000000000 0.54370789263783 0.38364516635631 15.999 > 13 87 O 0.83333333333333 0.54370789263783 0.38364516635631 15.999 > 13 88 O 0.00000000000000 0.75267558426043 0.25000000000000 15.999 > 14 89 O 0.33333333333333 0.75267558426043 0.25000000000000 15.999 > 14 90 O 0.66666666666667 0.75267558426043 0.25000000000000 15.999 > 14 91 O 0.00000000000000 0.95629210736217 0.88364516635631 15.999 > 15 92 O 0.33333333333333 0.95629210736217 0.88364516635631 15.999 > 15 93 O 0.66666666666667 0.95629210736217 0.88364516635631 15.999 > 15 94 O 0.00000000000000 0.95629210736217 0.61635483364369 15.999 > 16 95 O 0.33333333333333 0.95629210736217 0.61635483364369 15.999 > 16 96 O 0.66666666666667 0.95629210736217 0.61635483364369 15.999 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9882799 0.0000000 0.0000000 0.0000000 4.8946007 0.0000000 0.0000000 0.0000000 5.3669485 -------------------------- Born effective charges -------------------------- 1 Hf 4.4592545 0.0000000 0.0000000 0.0000000 3.8914432 0.0000000 0.0000000 0.0000000 7.0480475 2 Hf 5.3828297 0.0000000 0.0000000 0.0000000 4.9359874 -0.1515910 0.0000000 0.2414357 4.1239485 3 Hf 5.3828297 0.0000000 0.0000000 0.0000000 4.9359874 0.1515910 0.0000000 -0.2414357 4.1239485 4 Hf 4.4592545 0.0000000 0.0000000 0.0000000 3.8914432 0.0000000 0.0000000 0.0000000 7.0480475 5 Hf 5.3828297 0.0000000 0.0000000 0.0000000 4.9359874 -0.1515910 0.0000000 0.2414357 4.1239485 6 Hf 5.3828297 0.0000000 0.0000000 0.0000000 4.9359874 0.1515910 0.0000000 -0.2414357 4.1239485 7 N -4.7735204 0.0000000 0.0000000 0.0000000 -2.2623195 -0.1373067 0.0000000 -0.0875038 -3.1408211 8 N -4.7735204 0.0000000 0.0000000 0.0000000 -2.2623195 0.1373067 0.0000000 0.0875038 -3.1408211 9 N -4.7735204 0.0000000 0.0000000 0.0000000 -2.2623195 -0.1373067 0.0000000 -0.0875038 -3.1408211 10 N -4.7735204 0.0000000 0.0000000 0.0000000 -2.2623195 0.1373067 0.0000000 0.0875038 -3.1408211 11 O -3.8892960 0.0000000 0.0000000 0.0000000 -1.2644684 0.0000000 0.0000000 0.0000000 -3.0213062 12 O -0.8942886 0.0000000 0.0000000 0.0000000 -3.9871553 -0.3551972 0.0000000 -0.9350719 -2.9964981 13 O -0.8942886 0.0000000 0.0000000 0.0000000 -3.9871553 0.3551972 0.0000000 0.9350719 -2.9964981 14 O -3.8892960 0.0000000 0.0000000 0.0000000 -1.2644684 0.0000000 0.0000000 0.0000000 -3.0213062 15 O -0.8942886 0.0000000 0.0000000 0.0000000 -3.9871553 -0.3551972 0.0000000 -0.9350719 -2.9964981 16 O -0.8942886 0.0000000 0.0000000 0.0000000 -3.9871553 0.3551972 0.0000000 0.9350719 -2.9964981 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 8220/8220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1000 Number of blocks in projector: 1000 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 120 Use standard eigh solver. Tree of FC basis block matrices: - (1000, 979), data: False |-- (120, 120), data: True |-- (136, 136), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (240, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.887 Solver_block: 200 / 240 - Time: 0.907 Solver_block: 240 / 240 - Time: 0.428 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.238 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 8220/8220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1000 Number of blocks in projector: 1000 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 120 Use standard eigh solver. Tree of FC basis block matrices: - (1000, 979), data: False |-- (120, 120), data: True |-- (136, 136), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (240, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:20:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:20:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.006748115000000 -5.220032040000000 0.000000000000000 b 2.006748115000000 5.220032040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.447415950000000 Atomic positions (fractional): 1 Hf 0.80748662338152 0.19251337661848 0.25000000000000 178.490 2 Hf 0.85606760443803 0.14393239556197 0.94291319512811 178.490 3 Hf 0.85606760443803 0.14393239556197 0.55708680487189 178.490 4 Hf 0.19251337661848 0.80748662338152 0.75000000000000 178.490 5 Hf 0.14393239556197 0.85606760443803 0.05708680487189 178.490 6 Hf 0.14393239556197 0.85606760443803 0.44291319512811 178.490 7 N 0.69893424843997 0.30106575156003 0.42146816771715 14.007 8 N 0.69893424843997 0.30106575156003 0.07853183228285 14.007 9 N 0.30106575156003 0.69893424843997 0.57853183228285 14.007 10 N 0.30106575156003 0.69893424843997 0.92146816771715 14.007 11 O 0.75267558426043 0.24732441573957 0.75000000000000 15.999 12 O 0.95629210736217 0.04370789263783 0.11635483364369 15.999 13 O 0.95629210736217 0.04370789263783 0.38364516635631 15.999 14 O 0.24732441573957 0.75267558426043 0.25000000000000 15.999 15 O 0.04370789263783 0.95629210736217 0.88364516635631 15.999 16 O 0.04370789263783 0.95629210736217 0.61635483364369 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.040488689999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.440064080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.447415950000000 Atomic positions (fractional): 1 Hf 0.00000000000000 0.19251337661848 0.25000000000000 178.490 > 1 2 Hf 0.33333333333333 0.19251337661848 0.25000000000000 178.490 > 1 3 Hf 0.66666666666667 0.19251337661848 0.25000000000000 178.490 > 1 4 Hf 0.00000000000000 0.14393239556197 0.94291319512811 178.490 > 4 5 Hf 0.33333333333333 0.14393239556197 0.94291319512811 178.490 > 4 6 Hf 0.66666666666667 0.14393239556197 0.94291319512811 178.490 > 4 7 Hf 0.00000000000000 0.14393239556197 0.55708680487189 178.490 > 7 8 Hf 0.33333333333333 0.14393239556197 0.55708680487189 178.490 > 7 9 Hf 0.66666666666667 0.14393239556197 0.55708680487189 178.490 > 7 10 Hf 0.16666666666667 0.30748662338152 0.75000000000000 178.490 > 10 11 Hf 0.50000000000000 0.30748662338152 0.75000000000000 178.490 > 10 12 Hf 0.83333333333333 0.30748662338152 0.75000000000000 178.490 > 10 13 Hf 0.16666666666667 0.35606760443803 0.05708680487189 178.490 > 13 14 Hf 0.50000000000000 0.35606760443803 0.05708680487189 178.490 > 13 15 Hf 0.83333333333333 0.35606760443803 0.05708680487189 178.490 > 13 16 Hf 0.16666666666667 0.35606760443803 0.44291319512811 178.490 > 16 17 Hf 0.50000000000000 0.35606760443803 0.44291319512811 178.490 > 16 18 Hf 0.83333333333333 0.35606760443803 0.44291319512811 178.490 > 16 19 Hf 0.16666666666667 0.69251337661848 0.25000000000000 178.490 > 1 20 Hf 0.50000000000000 0.69251337661848 0.25000000000000 178.490 > 1 21 Hf 0.83333333333333 0.69251337661848 0.25000000000000 178.490 > 1 22 Hf 0.16666666666667 0.64393239556197 0.94291319512811 178.490 > 4 23 Hf 0.50000000000000 0.64393239556197 0.94291319512811 178.490 > 4 24 Hf 0.83333333333333 0.64393239556197 0.94291319512811 178.490 > 4 25 Hf 0.16666666666667 0.64393239556197 0.55708680487189 178.490 > 7 26 Hf 0.50000000000000 0.64393239556197 0.55708680487189 178.490 > 7 27 Hf 0.83333333333333 0.64393239556197 0.55708680487189 178.490 > 7 28 Hf 0.00000000000000 0.80748662338152 0.75000000000000 178.490 > 10 29 Hf 0.33333333333333 0.80748662338152 0.75000000000000 178.490 > 10 30 Hf 0.66666666666667 0.80748662338152 0.75000000000000 178.490 > 10 31 Hf 0.00000000000000 0.85606760443803 0.05708680487189 178.490 > 13 32 Hf 0.33333333333333 0.85606760443803 0.05708680487189 178.490 > 13 33 Hf 0.66666666666667 0.85606760443803 0.05708680487189 178.490 > 13 34 Hf 0.00000000000000 0.85606760443803 0.44291319512811 178.490 > 16 35 Hf 0.33333333333333 0.85606760443803 0.44291319512811 178.490 > 16 36 Hf 0.66666666666667 0.85606760443803 0.44291319512811 178.490 > 16 37 N 0.00000000000000 0.30106575156003 0.42146816771715 14.007 > 37 38 N 0.33333333333333 0.30106575156003 0.42146816771715 14.007 > 37 39 N 0.66666666666667 0.30106575156003 0.42146816771715 14.007 > 37 40 N 0.00000000000000 0.30106575156003 0.07853183228285 14.007 > 40 41 N 0.33333333333333 0.30106575156003 0.07853183228285 14.007 > 40 42 N 0.66666666666667 0.30106575156003 0.07853183228285 14.007 > 40 43 N 0.16666666666667 0.19893424843997 0.57853183228285 14.007 > 43 44 N 0.50000000000000 0.19893424843997 0.57853183228285 14.007 > 43 45 N 0.83333333333333 0.19893424843997 0.57853183228285 14.007 > 43 46 N 0.16666666666667 0.19893424843997 0.92146816771715 14.007 > 46 47 N 0.50000000000000 0.19893424843997 0.92146816771715 14.007 > 46 48 N 0.83333333333333 0.19893424843997 0.92146816771715 14.007 > 46 49 N 0.16666666666667 0.80106575156003 0.42146816771715 14.007 > 37 50 N 0.50000000000000 0.80106575156003 0.42146816771715 14.007 > 37 51 N 0.83333333333333 0.80106575156003 0.42146816771715 14.007 > 37 52 N 0.16666666666667 0.80106575156003 0.07853183228285 14.007 > 40 53 N 0.50000000000000 0.80106575156003 0.07853183228285 14.007 > 40 54 N 0.83333333333333 0.80106575156003 0.07853183228285 14.007 > 40 55 N 0.00000000000000 0.69893424843997 0.57853183228285 14.007 > 43 56 N 0.33333333333333 0.69893424843997 0.57853183228285 14.007 > 43 57 N 0.66666666666667 0.69893424843997 0.57853183228285 14.007 > 43 58 N 0.00000000000000 0.69893424843997 0.92146816771715 14.007 > 46 59 N 0.33333333333333 0.69893424843997 0.92146816771715 14.007 > 46 60 N 0.66666666666667 0.69893424843997 0.92146816771715 14.007 > 46 61 O 0.00000000000000 0.24732441573957 0.75000000000000 15.999 > 61 62 O 0.33333333333333 0.24732441573957 0.75000000000000 15.999 > 61 63 O 0.66666666666667 0.24732441573957 0.75000000000000 15.999 > 61 64 O 0.00000000000000 0.04370789263783 0.11635483364369 15.999 > 64 65 O 0.33333333333333 0.04370789263783 0.11635483364369 15.999 > 64 66 O 0.66666666666667 0.04370789263783 0.11635483364369 15.999 > 64 67 O 0.00000000000000 0.04370789263783 0.38364516635631 15.999 > 67 68 O 0.33333333333333 0.04370789263783 0.38364516635631 15.999 > 67 69 O 0.66666666666667 0.04370789263783 0.38364516635631 15.999 > 67 70 O 0.16666666666667 0.25267558426043 0.25000000000000 15.999 > 70 71 O 0.50000000000000 0.25267558426043 0.25000000000000 15.999 > 70 72 O 0.83333333333333 0.25267558426043 0.25000000000000 15.999 > 70 73 O 0.16666666666667 0.45629210736217 0.88364516635631 15.999 > 73 74 O 0.50000000000000 0.45629210736217 0.88364516635631 15.999 > 73 75 O 0.83333333333333 0.45629210736217 0.88364516635631 15.999 > 73 76 O 0.16666666666667 0.45629210736217 0.61635483364369 15.999 > 76 77 O 0.50000000000000 0.45629210736217 0.61635483364369 15.999 > 76 78 O 0.83333333333333 0.45629210736217 0.61635483364369 15.999 > 76 79 O 0.16666666666667 0.74732441573957 0.75000000000000 15.999 > 61 80 O 0.50000000000000 0.74732441573957 0.75000000000000 15.999 > 61 81 O 0.83333333333333 0.74732441573957 0.75000000000000 15.999 > 61 82 O 0.16666666666667 0.54370789263783 0.11635483364369 15.999 > 64 83 O 0.50000000000000 0.54370789263783 0.11635483364369 15.999 > 64 84 O 0.83333333333333 0.54370789263783 0.11635483364369 15.999 > 64 85 O 0.16666666666667 0.54370789263783 0.38364516635631 15.999 > 67 86 O 0.50000000000000 0.54370789263783 0.38364516635631 15.999 > 67 87 O 0.83333333333333 0.54370789263783 0.38364516635631 15.999 > 67 88 O 0.00000000000000 0.75267558426043 0.25000000000000 15.999 > 70 89 O 0.33333333333333 0.75267558426043 0.25000000000000 15.999 > 70 90 O 0.66666666666667 0.75267558426043 0.25000000000000 15.999 > 70 91 O 0.00000000000000 0.95629210736217 0.88364516635631 15.999 > 73 92 O 0.33333333333333 0.95629210736217 0.88364516635631 15.999 > 73 93 O 0.66666666666667 0.95629210736217 0.88364516635631 15.999 > 73 94 O 0.00000000000000 0.95629210736217 0.61635483364369 15.999 > 76 95 O 0.33333333333333 0.95629210736217 0.61635483364369 15.999 > 76 96 O 0.66666666666667 0.95629210736217 0.61635483364369 15.999 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9882799 0.0000000 0.0000000 0.0000000 4.8946007 0.0000000 0.0000000 0.0000000 5.3669485 -------------------------- Born effective charges -------------------------- 1 Hf 4.4592545 0.0000000 0.0000000 0.0000000 3.8914432 0.0000000 0.0000000 0.0000000 7.0480475 2 Hf 5.3828297 0.0000000 0.0000000 0.0000000 4.9359874 -0.1515910 0.0000000 0.2414357 4.1239485 3 Hf 5.3828297 0.0000000 0.0000000 0.0000000 4.9359874 0.1515910 0.0000000 -0.2414357 4.1239485 4 Hf 4.4592545 0.0000000 0.0000000 0.0000000 3.8914432 0.0000000 0.0000000 0.0000000 7.0480475 5 Hf 5.3828297 0.0000000 0.0000000 0.0000000 4.9359874 -0.1515910 0.0000000 0.2414357 4.1239485 6 Hf 5.3828297 0.0000000 0.0000000 0.0000000 4.9359874 0.1515910 0.0000000 -0.2414357 4.1239485 7 N -4.7735204 0.0000000 0.0000000 0.0000000 -2.2623195 -0.1373067 0.0000000 -0.0875038 -3.1408211 8 N -4.7735204 0.0000000 0.0000000 0.0000000 -2.2623195 0.1373067 0.0000000 0.0875038 -3.1408211 9 N -4.7735204 0.0000000 0.0000000 0.0000000 -2.2623195 -0.1373067 0.0000000 -0.0875038 -3.1408211 10 N -4.7735204 0.0000000 0.0000000 0.0000000 -2.2623195 0.1373067 0.0000000 0.0875038 -3.1408211 11 O -3.8892960 0.0000000 0.0000000 0.0000000 -1.2644684 0.0000000 0.0000000 0.0000000 -3.0213062 12 O -0.8942886 0.0000000 0.0000000 0.0000000 -3.9871553 -0.3551972 0.0000000 -0.9350719 -2.9964981 13 O -0.8942886 0.0000000 0.0000000 0.0000000 -3.9871553 0.3551972 0.0000000 0.9350719 -2.9964981 14 O -3.8892960 0.0000000 0.0000000 0.0000000 -1.2644684 0.0000000 0.0000000 0.0000000 -3.0213062 15 O -0.8942886 0.0000000 0.0000000 0.0000000 -3.9871553 -0.3551972 0.0000000 -0.9350719 -2.9964981 16 O -0.8942886 0.0000000 0.0000000 0.0000000 -3.9871553 0.3551972 0.0000000 0.9350719 -2.9964981 ---------------------------------------------------------------------------- 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[ 4, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 64, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:20:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:20:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.006748115000000 -5.220032040000000 0.000000000000000 b 2.006748115000000 5.220032040000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.447415950000000 Atomic positions (fractional): 1 Hf 0.80748662338152 0.19251337661848 0.25000000000000 178.490 2 Hf 0.85606760443803 0.14393239556197 0.94291319512811 178.490 3 Hf 0.85606760443803 0.14393239556197 0.55708680487189 178.490 4 Hf 0.19251337661848 0.80748662338152 0.75000000000000 178.490 5 Hf 0.14393239556197 0.85606760443803 0.05708680487189 178.490 6 Hf 0.14393239556197 0.85606760443803 0.44291319512811 178.490 7 N 0.69893424843997 0.30106575156003 0.42146816771715 14.007 8 N 0.69893424843997 0.30106575156003 0.07853183228285 14.007 9 N 0.30106575156003 0.69893424843997 0.57853183228285 14.007 10 N 0.30106575156003 0.69893424843997 0.92146816771715 14.007 11 O 0.75267558426043 0.24732441573957 0.75000000000000 15.999 12 O 0.95629210736217 0.04370789263783 0.11635483364369 15.999 13 O 0.95629210736217 0.04370789263783 0.38364516635631 15.999 14 O 0.24732441573957 0.75267558426043 0.25000000000000 15.999 15 O 0.04370789263783 0.95629210736217 0.88364516635631 15.999 16 O 0.04370789263783 0.95629210736217 0.61635483364369 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.040488689999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.440064080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.447415950000000 Atomic positions (fractional): 1 Hf 0.00000000000000 0.19251337661848 0.25000000000000 178.490 > 1 2 Hf 0.33333333333333 0.19251337661848 0.25000000000000 178.490 > 1 3 Hf 0.66666666666667 0.19251337661848 0.25000000000000 178.490 > 1 4 Hf 0.00000000000000 0.14393239556197 0.94291319512811 178.490 > 4 5 Hf 0.33333333333333 0.14393239556197 0.94291319512811 178.490 > 4 6 Hf 0.66666666666667 0.14393239556197 0.94291319512811 178.490 > 4 7 Hf 0.00000000000000 0.14393239556197 0.55708680487189 178.490 > 7 8 Hf 0.33333333333333 0.14393239556197 0.55708680487189 178.490 > 7 9 Hf 0.66666666666667 0.14393239556197 0.55708680487189 178.490 > 7 10 Hf 0.16666666666667 0.30748662338152 0.75000000000000 178.490 > 10 11 Hf 0.50000000000000 0.30748662338152 0.75000000000000 178.490 > 10 12 Hf 0.83333333333333 0.30748662338152 0.75000000000000 178.490 > 10 13 Hf 0.16666666666667 0.35606760443803 0.05708680487189 178.490 > 13 14 Hf 0.50000000000000 0.35606760443803 0.05708680487189 178.490 > 13 15 Hf 0.83333333333333 0.35606760443803 0.05708680487189 178.490 > 13 16 Hf 0.16666666666667 0.35606760443803 0.44291319512811 178.490 > 16 17 Hf 0.50000000000000 0.35606760443803 0.44291319512811 178.490 > 16 18 Hf 0.83333333333333 0.35606760443803 0.44291319512811 178.490 > 16 19 Hf 0.16666666666667 0.69251337661848 0.25000000000000 178.490 > 1 20 Hf 0.50000000000000 0.69251337661848 0.25000000000000 178.490 > 1 21 Hf 0.83333333333333 0.69251337661848 0.25000000000000 178.490 > 1 22 Hf 0.16666666666667 0.64393239556197 0.94291319512811 178.490 > 4 23 Hf 0.50000000000000 0.64393239556197 0.94291319512811 178.490 > 4 24 Hf 0.83333333333333 0.64393239556197 0.94291319512811 178.490 > 4 25 Hf 0.16666666666667 0.64393239556197 0.55708680487189 178.490 > 7 26 Hf 0.50000000000000 0.64393239556197 0.55708680487189 178.490 > 7 27 Hf 0.83333333333333 0.64393239556197 0.55708680487189 178.490 > 7 28 Hf 0.00000000000000 0.80748662338152 0.75000000000000 178.490 > 10 29 Hf 0.33333333333333 0.80748662338152 0.75000000000000 178.490 > 10 30 Hf 0.66666666666667 0.80748662338152 0.75000000000000 178.490 > 10 31 Hf 0.00000000000000 0.85606760443803 0.05708680487189 178.490 > 13 32 Hf 0.33333333333333 0.85606760443803 0.05708680487189 178.490 > 13 33 Hf 0.66666666666667 0.85606760443803 0.05708680487189 178.490 > 13 34 Hf 0.00000000000000 0.85606760443803 0.44291319512811 178.490 > 16 35 Hf 0.33333333333333 0.85606760443803 0.44291319512811 178.490 > 16 36 Hf 0.66666666666667 0.85606760443803 0.44291319512811 178.490 > 16 37 N 0.00000000000000 0.30106575156003 0.42146816771715 14.007 > 37 38 N 0.33333333333333 0.30106575156003 0.42146816771715 14.007 > 37 39 N 0.66666666666667 0.30106575156003 0.42146816771715 14.007 > 37 40 N 0.00000000000000 0.30106575156003 0.07853183228285 14.007 > 40 41 N 0.33333333333333 0.30106575156003 0.07853183228285 14.007 > 40 42 N 0.66666666666667 0.30106575156003 0.07853183228285 14.007 > 40 43 N 0.16666666666667 0.19893424843997 0.57853183228285 14.007 > 43 44 N 0.50000000000000 0.19893424843997 0.57853183228285 14.007 > 43 45 N 0.83333333333333 0.19893424843997 0.57853183228285 14.007 > 43 46 N 0.16666666666667 0.19893424843997 0.92146816771715 14.007 > 46 47 N 0.50000000000000 0.19893424843997 0.92146816771715 14.007 > 46 48 N 0.83333333333333 0.19893424843997 0.92146816771715 14.007 > 46 49 N 0.16666666666667 0.80106575156003 0.42146816771715 14.007 > 37 50 N 0.50000000000000 0.80106575156003 0.42146816771715 14.007 > 37 51 N 0.83333333333333 0.80106575156003 0.42146816771715 14.007 > 37 52 N 0.16666666666667 0.80106575156003 0.07853183228285 14.007 > 40 53 N 0.50000000000000 0.80106575156003 0.07853183228285 14.007 > 40 54 N 0.83333333333333 0.80106575156003 0.07853183228285 14.007 > 40 55 N 0.00000000000000 0.69893424843997 0.57853183228285 14.007 > 43 56 N 0.33333333333333 0.69893424843997 0.57853183228285 14.007 > 43 57 N 0.66666666666667 0.69893424843997 0.57853183228285 14.007 > 43 58 N 0.00000000000000 0.69893424843997 0.92146816771715 14.007 > 46 59 N 0.33333333333333 0.69893424843997 0.92146816771715 14.007 > 46 60 N 0.66666666666667 0.69893424843997 0.92146816771715 14.007 > 46 61 O 0.00000000000000 0.24732441573957 0.75000000000000 15.999 > 61 62 O 0.33333333333333 0.24732441573957 0.75000000000000 15.999 > 61 63 O 0.66666666666667 0.24732441573957 0.75000000000000 15.999 > 61 64 O 0.00000000000000 0.04370789263783 0.11635483364369 15.999 > 64 65 O 0.33333333333333 0.04370789263783 0.11635483364369 15.999 > 64 66 O 0.66666666666667 0.04370789263783 0.11635483364369 15.999 > 64 67 O 0.00000000000000 0.04370789263783 0.38364516635631 15.999 > 67 68 O 0.33333333333333 0.04370789263783 0.38364516635631 15.999 > 67 69 O 0.66666666666667 0.04370789263783 0.38364516635631 15.999 > 67 70 O 0.16666666666667 0.25267558426043 0.25000000000000 15.999 > 70 71 O 0.50000000000000 0.25267558426043 0.25000000000000 15.999 > 70 72 O 0.83333333333333 0.25267558426043 0.25000000000000 15.999 > 70 73 O 0.16666666666667 0.45629210736217 0.88364516635631 15.999 > 73 74 O 0.50000000000000 0.45629210736217 0.88364516635631 15.999 > 73 75 O 0.83333333333333 0.45629210736217 0.88364516635631 15.999 > 73 76 O 0.16666666666667 0.45629210736217 0.61635483364369 15.999 > 76 77 O 0.50000000000000 0.45629210736217 0.61635483364369 15.999 > 76 78 O 0.83333333333333 0.45629210736217 0.61635483364369 15.999 > 76 79 O 0.16666666666667 0.74732441573957 0.75000000000000 15.999 > 61 80 O 0.50000000000000 0.74732441573957 0.75000000000000 15.999 > 61 81 O 0.83333333333333 0.74732441573957 0.75000000000000 15.999 > 61 82 O 0.16666666666667 0.54370789263783 0.11635483364369 15.999 > 64 83 O 0.50000000000000 0.54370789263783 0.11635483364369 15.999 > 64 84 O 0.83333333333333 0.54370789263783 0.11635483364369 15.999 > 64 85 O 0.16666666666667 0.54370789263783 0.38364516635631 15.999 > 67 86 O 0.50000000000000 0.54370789263783 0.38364516635631 15.999 > 67 87 O 0.83333333333333 0.54370789263783 0.38364516635631 15.999 > 67 88 O 0.00000000000000 0.75267558426043 0.25000000000000 15.999 > 70 89 O 0.33333333333333 0.75267558426043 0.25000000000000 15.999 > 70 90 O 0.66666666666667 0.75267558426043 0.25000000000000 15.999 > 70 91 O 0.00000000000000 0.95629210736217 0.88364516635631 15.999 > 73 92 O 0.33333333333333 0.95629210736217 0.88364516635631 15.999 > 73 93 O 0.66666666666667 0.95629210736217 0.88364516635631 15.999 > 73 94 O 0.00000000000000 0.95629210736217 0.61635483364369 15.999 > 76 95 O 0.33333333333333 0.95629210736217 0.61635483364369 15.999 > 76 96 O 0.66666666666667 0.95629210736217 0.61635483364369 15.999 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.9882799 0.0000000 0.0000000 0.0000000 4.8946007 0.0000000 0.0000000 0.0000000 5.3669485 -------------------------- Born effective charges -------------------------- 1 Hf 4.4592545 0.0000000 0.0000000 0.0000000 3.8914432 0.0000000 0.0000000 0.0000000 7.0480475 2 Hf 5.3828297 0.0000000 0.0000000 0.0000000 4.9359874 -0.1515910 0.0000000 0.2414357 4.1239485 3 Hf 5.3828297 0.0000000 0.0000000 0.0000000 4.9359874 0.1515910 0.0000000 -0.2414357 4.1239485 4 Hf 4.4592545 0.0000000 0.0000000 0.0000000 3.8914432 0.0000000 0.0000000 0.0000000 7.0480475 5 Hf 5.3828297 0.0000000 0.0000000 0.0000000 4.9359874 -0.1515910 0.0000000 0.2414357 4.1239485 6 Hf 5.3828297 0.0000000 0.0000000 0.0000000 4.9359874 0.1515910 0.0000000 -0.2414357 4.1239485 7 N -4.7735204 0.0000000 0.0000000 0.0000000 -2.2623195 -0.1373067 0.0000000 -0.0875038 -3.1408211 8 N -4.7735204 0.0000000 0.0000000 0.0000000 -2.2623195 0.1373067 0.0000000 0.0875038 -3.1408211 9 N -4.7735204 0.0000000 0.0000000 0.0000000 -2.2623195 -0.1373067 0.0000000 -0.0875038 -3.1408211 10 N -4.7735204 0.0000000 0.0000000 0.0000000 -2.2623195 0.1373067 0.0000000 0.0875038 -3.1408211 11 O -3.8892960 0.0000000 0.0000000 0.0000000 -1.2644684 0.0000000 0.0000000 0.0000000 -3.0213062 12 O -0.8942886 0.0000000 0.0000000 0.0000000 -3.9871553 -0.3551972 0.0000000 -0.9350719 -2.9964981 13 O -0.8942886 0.0000000 0.0000000 0.0000000 -3.9871553 0.3551972 0.0000000 0.9350719 -2.9964981 14 O -3.8892960 0.0000000 0.0000000 0.0000000 -1.2644684 0.0000000 0.0000000 0.0000000 -3.0213062 15 O -0.8942886 0.0000000 0.0000000 0.0000000 -3.9871553 -0.3551972 0.0000000 -0.9350719 -2.9964981 16 O -0.8942886 0.0000000 0.0000000 0.0000000 -3.9871553 0.3551972 0.0000000 0.9350719 -2.9964981 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.69, Number of G-points: 291, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/147) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 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 2.657 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 3.111 ( 0.000 0.000 0.000) 0.000 3.725 ( 0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.392 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 4.989 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 5.949 ( 0.000 0.000 0.000) 0.000 6.338 ( 0.000 0.000 0.000) 0.000 6.455 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 0.000 0.000) 0.000 7.308 ( 0.000 0.000 0.000) 0.000 7.418 ( 0.000 0.000 0.000) 0.000 9.220 ( 0.000 0.000 0.000) 0.000 9.672 ( 0.000 0.000 0.000) 0.000 9.854 ( 0.000 0.000 0.000) 0.000 10.636 ( 0.000 0.000 0.000) 0.000 12.158 ( 0.000 0.000 0.000) 0.000 12.207 ( 0.000 0.000 0.000) 0.000 13.904 ( 0.000 0.000 0.000) 0.000 14.100 ( 0.000 0.000 0.000) 0.000 14.571 ( 0.000 0.000 0.000) 0.000 14.704 ( 0.000 0.000 0.000) 0.000 15.147 ( 0.000 0.000 0.000) 0.000 15.325 ( 0.000 0.000 0.000) 0.000 15.863 ( 0.000 0.000 0.000) 0.000 16.263 ( 0.000 0.000 0.000) 0.000 16.919 ( 0.000 0.000 0.000) 0.000 16.968 ( 0.000 0.000 0.000) 0.000 17.108 ( 0.000 0.000 0.000) 0.000 18.003 ( 0.000 0.000 0.000) 0.000 18.711 ( 0.000 0.000 0.000) 0.000 18.952 ( 0.000 0.000 0.000) 0.000 19.671 ( 0.000 0.000 0.000) 0.000 19.818 ( 0.000 0.000 0.000) 0.000 20.362 ( 0.000 0.000 0.000) 0.000 21.232 ( 0.000 0.000 0.000) 0.000 21.629 ( 0.000 0.000 0.000) 0.000 21.957 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/147) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 14.592 -36.940 0.000) 39.718 0.671 ( 30.536 -8.909 0.000) 31.809 1.152 ( 55.528 -7.206 0.000) 55.994 2.681 ( 2.531 -0.596 0.000) 2.601 2.712 ( 4.431 -3.599 0.000) 5.708 2.797 ( 0.913 -0.166 0.000) 0.928 3.094 ( -0.205 1.180 0.000) 1.198 3.720 ( -0.485 0.186 0.000) 0.519 3.850 ( 7.761 0.792 0.000) 7.801 4.211 ( 4.194 1.109 0.000) 4.338 4.438 ( 7.016 0.586 0.000) 7.041 4.683 ( 16.822 1.241 0.000) 16.868 4.762 ( 8.215 5.728 0.000) 10.015 5.020 ( 3.740 2.111 0.000) 4.295 5.193 ( 1.000 -8.781 0.000) 8.838 5.462 ( 10.367 -1.801 0.000) 10.523 5.972 ( 2.885 1.416 0.000) 3.214 6.288 ( 3.557 16.648 0.000) 17.024 6.520 ( -0.375 -12.969 0.000) 12.974 6.907 ( 7.301 -1.290 0.000) 7.414 7.260 ( -3.193 2.457 0.000) 4.028 7.660 ( 9.628 6.238 0.000) 11.472 9.308 ( 7.805 -1.774 0.000) 8.004 9.571 ( -9.774 0.524 0.000) 9.788 9.742 ( -10.635 1.794 0.000) 10.785 10.680 ( 4.016 -2.242 0.000) 4.600 12.098 ( -13.250 -4.696 0.000) 14.057 12.212 ( -12.412 -27.319 0.000) 30.006 13.922 ( -16.833 3.401 0.000) 17.173 14.369 ( -28.894 -2.024 0.000) 28.964 14.507 ( -5.357 3.135 0.000) 6.207 15.094 ( -3.785 0.039 0.000) 3.786 15.246 ( 3.492 10.191 0.000) 10.773 15.705 ( -9.346 3.058 0.000) 9.834 16.199 ( -6.130 1.174 0.000) 6.242 16.763 ( -17.511 -0.948 0.000) 17.536 17.072 ( 5.014 0.589 0.000) 5.049 17.089 ( -2.625 -0.981 0.000) 2.803 18.095 ( 12.533 -5.859 0.000) 13.835 18.235 ( 23.956 6.536 0.000) 24.832 18.854 ( -4.896 10.766 0.000) 11.827 19.154 ( -24.822 -5.754 0.000) 25.480 20.529 ( 42.714 -1.485 0.000) 42.740 20.547 ( 20.395 6.180 0.000) 21.311 21.380 ( 17.357 2.980 0.000) 17.611 21.629 ( 25.072 28.777 0.000) 38.167 21.999 ( 2.318 -5.211 0.000) 5.703 23.293 ( 6.962 5.978 0.000) 9.177 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 16.113 -31.861 0.000) 35.704 1.286 ( 26.609 -8.703 0.000) 27.996 2.206 ( 47.918 -8.546 0.000) 48.674 2.779 ( 7.220 -0.864 0.000) 7.271 2.845 ( 4.392 0.072 0.000) 4.392 2.885 ( 9.703 -6.679 0.000) 11.779 3.125 ( 4.793 1.181 0.000) 4.936 3.706 ( -0.817 -0.050 0.000) 0.819 3.968 ( 4.644 2.367 0.000) 5.212 4.302 ( 6.421 2.875 0.000) 7.036 4.642 ( 13.435 0.630 0.000) 13.449 4.937 ( 17.407 10.075 0.000) 20.112 5.084 ( 5.182 4.970 0.000) 7.179 5.089 ( 22.907 -0.893 0.000) 22.924 5.320 ( 5.346 -10.126 0.000) 11.451 5.730 ( 14.190 -4.004 0.000) 14.744 6.043 ( 6.278 2.332 0.000) 6.698 6.276 ( 7.077 12.943 0.000) 14.752 6.606 ( 2.072 -6.157 0.000) 6.496 7.126 ( 13.535 -2.914 0.000) 13.845 7.178 ( -2.654 3.165 0.000) 4.130 7.830 ( 12.426 6.474 0.000) 14.011 9.338 ( -12.673 0.668 0.000) 12.690 9.446 ( -17.148 3.457 0.000) 17.493 9.498 ( 8.521 -3.720 0.000) 9.298 10.832 ( 10.143 -1.074 0.000) 10.200 11.791 ( -23.060 -11.984 0.000) 25.988 12.170 ( -11.369 -24.437 0.000) 26.952 13.455 ( -24.642 8.433 0.000) 26.045 13.878 ( -23.456 -7.020 0.000) 24.483 14.342 ( -8.252 3.788 0.000) 9.080 15.037 ( -3.035 -2.268 0.000) 3.788 15.203 ( -6.027 -4.380 0.000) 7.450 15.501 ( -9.029 6.750 0.000) 11.273 16.020 ( -11.753 0.046 0.000) 11.754 16.417 ( -17.790 0.245 0.000) 17.792 16.980 ( -9.957 2.180 0.000) 10.193 17.026 ( -7.205 -2.615 0.000) 7.665 18.372 ( 15.627 5.945 0.000) 16.720 18.495 ( 5.705 16.228 0.000) 17.201 18.653 ( -4.688 14.866 0.000) 15.588 18.986 ( 0.584 -14.781 0.000) 14.792 20.975 ( 27.635 8.176 0.000) 28.820 21.376 ( 43.477 -1.742 0.000) 43.512 21.870 ( 35.777 4.679 0.000) 36.082 21.957 ( 18.563 8.912 0.000) 20.591 22.151 ( 12.269 -8.034 0.000) 14.665 23.425 ( 11.200 5.733 0.000) 12.582 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 16.297 -24.317 0.000) 29.273 1.811 ( 21.618 -7.951 0.000) 23.033 2.957 ( 10.327 -0.008 0.000) 10.327 2.967 ( 7.994 -0.247 0.000) 7.997 3.101 ( 37.265 -11.142 0.000) 38.895 3.175 ( 13.976 -9.152 0.000) 16.706 3.258 ( 10.008 1.446 0.000) 10.112 3.692 ( -0.800 -0.820 0.000) 1.145 3.995 ( 0.884 2.927 0.000) 3.058 4.399 ( 6.552 5.435 0.000) 8.513 4.891 ( 11.558 -0.758 0.000) 11.583 5.130 ( 4.338 7.538 0.000) 8.697 5.208 ( 14.611 4.649 0.000) 15.333 5.520 ( 20.404 1.319 0.000) 20.447 5.588 ( 18.357 -2.794 0.000) 18.568 6.020 ( 11.026 -6.617 0.000) 12.859 6.196 ( 11.884 1.991 0.000) 12.050 6.367 ( 7.920 3.215 0.000) 8.548 6.702 ( 7.941 4.550 0.000) 9.152 7.126 ( -0.373 2.463 0.000) 2.491 7.449 ( 17.267 -2.833 0.000) 17.498 8.008 ( 10.605 8.260 0.000) 13.442 9.087 ( -15.317 3.968 0.000) 15.822 9.125 ( -8.873 0.039 0.000) 8.873 9.661 ( 4.681 -6.577 0.000) 8.073 10.958 ( -0.468 7.136 0.000) 7.151 11.604 ( -2.559 -23.814 0.000) 23.951 12.161 ( -7.645 -24.651 0.000) 25.809 12.933 ( -22.170 9.164 0.000) 23.989 13.576 ( -14.256 -7.602 0.000) 16.156 14.164 ( -7.734 1.729 0.000) 7.925 14.983 ( -5.617 -1.145 0.000) 5.733 15.081 ( -9.853 -6.237 0.000) 11.661 15.235 ( -11.861 11.706 0.000) 16.665 15.745 ( -18.798 -3.322 0.000) 19.090 16.107 ( -12.421 2.536 0.000) 12.677 16.707 ( -15.231 2.867 0.000) 15.498 16.858 ( -13.001 -3.681 0.000) 13.512 18.412 ( -1.797 6.107 0.000) 6.366 18.494 ( 0.288 14.588 0.000) 14.591 18.606 ( 14.395 9.100 0.000) 17.030 19.136 ( 3.638 -5.410 0.000) 6.520 21.425 ( 23.712 5.490 0.000) 24.339 22.121 ( 5.950 1.346 0.000) 6.100 22.192 ( 39.667 -2.062 0.000) 39.720 22.595 ( 40.963 5.465 0.000) 41.326 22.627 ( 27.345 -5.600 0.000) 27.912 23.626 ( 13.407 4.798 0.000) 14.239 ======================= Grid point 4 (5/147) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 14.154 -15.716 0.000) 21.150 2.229 ( 16.361 -6.527 0.000) 17.615 3.134 ( 8.269 -1.099 0.000) 8.341 3.146 ( 9.328 1.691 0.000) 9.480 3.434 ( 9.476 1.669 0.000) 9.622 3.516 ( 12.506 -9.502 0.000) 15.706 3.699 ( 1.154 -2.844 0.000) 3.070 3.813 ( 26.055 -11.125 0.000) 28.330 3.992 ( 1.805 -0.180 0.000) 1.814 4.464 ( 5.281 7.943 0.000) 9.538 5.094 ( 8.437 -3.974 0.000) 9.326 5.146 ( 3.312 7.333 0.000) 8.046 5.408 ( 8.444 0.526 0.000) 8.460 5.844 ( 16.379 11.709 0.000) 20.134 5.969 ( 19.692 0.162 0.000) 19.693 6.228 ( 5.322 -7.083 0.000) 8.859 6.474 ( 17.154 0.037 0.000) 17.154 6.485 ( 2.586 -5.130 0.000) 5.745 6.865 ( 15.468 11.948 0.000) 19.545 7.139 ( 3.001 0.206 0.000) 3.008 7.798 ( 16.684 -1.595 0.000) 16.760 8.057 ( 0.170 9.291 0.000) 9.292 8.865 ( -2.932 5.466 0.000) 6.203 9.017 ( -3.776 -2.853 0.000) 4.733 9.803 ( 4.819 -9.260 0.000) 10.438 10.808 ( -5.682 2.769 0.000) 6.321 11.974 ( 18.025 -19.777 0.000) 26.758 12.270 ( 1.260 -23.148 0.000) 23.183 12.493 ( -16.339 8.309 0.000) 18.330 13.417 ( -8.563 -6.803 0.000) 10.937 14.033 ( -4.652 0.960 0.000) 4.750 14.785 ( -14.652 -1.293 0.000) 14.709 14.875 ( -14.849 15.877 0.000) 21.739 14.940 ( -9.836 1.400 0.000) 9.935 15.359 ( -22.033 -5.203 0.000) 22.639 15.925 ( -5.696 0.947 0.000) 5.774 16.391 ( -14.986 2.548 0.000) 15.201 16.585 ( -17.950 -3.939 0.000) 18.377 18.366 ( -0.519 1.028 0.000) 1.151 18.445 ( 4.219 11.275 0.000) 12.038 18.797 ( 11.822 7.400 0.000) 13.947 19.200 ( 1.043 -1.473 0.000) 1.805 21.789 ( 17.037 2.000 0.000) 17.154 22.213 ( 4.672 0.797 0.000) 4.739 22.905 ( 32.498 -2.481 0.000) 32.593 23.187 ( 25.645 -5.306 0.000) 26.188 23.274 ( 32.616 5.493 0.000) 33.075 23.848 ( 12.158 3.256 0.000) 12.586 ======================= Grid point 5 (6/147) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 9.688 -8.034 0.000) 12.586 2.532 ( 10.833 -4.617 0.000) 11.776 3.268 ( 4.817 2.772 0.000) 5.557 3.282 ( 5.878 -1.636 0.000) 6.101 3.552 ( 3.933 2.735 0.000) 4.791 3.669 ( 1.403 -2.674 0.000) 3.020 3.871 ( 8.642 -9.053 0.000) 12.516 3.994 ( 2.723 -0.032 0.000) 2.724 4.349 ( 16.203 -11.701 0.000) 19.986 4.487 ( 3.585 8.276 0.000) 9.019 5.155 ( 2.319 4.784 0.000) 5.316 5.300 ( 8.332 -9.397 0.000) 12.559 5.529 ( 4.490 -0.104 0.000) 4.491 5.947 ( 6.882 19.061 0.000) 20.265 6.313 ( 15.457 0.922 0.000) 15.484 6.341 ( 1.877 -5.804 0.000) 6.100 6.533 ( -0.398 -3.067 0.000) 3.093 6.794 ( 14.386 -0.800 0.000) 14.408 7.084 ( 13.878 8.427 0.000) 16.236 7.235 ( 5.480 -2.931 0.000) 6.215 7.912 ( -6.499 8.187 0.000) 10.453 8.086 ( 11.983 -0.514 0.000) 11.994 8.861 ( 5.433 7.384 0.000) 9.168 9.003 ( -1.848 -6.023 0.000) 6.300 9.993 ( 7.385 -9.440 0.000) 11.986 10.760 ( 1.062 0.803 0.000) 1.331 12.156 ( -6.314 11.345 0.000) 12.983 12.517 ( 16.755 -21.879 0.000) 27.558 12.567 ( 13.471 -19.492 0.000) 23.694 13.324 ( -5.782 -3.802 0.000) 6.920 13.979 ( 0.882 3.843 0.000) 3.943 14.453 ( -15.804 16.838 0.000) 23.093 14.454 ( -20.243 8.970 0.000) 22.142 14.582 ( -23.441 -6.138 0.000) 24.231 15.124 ( -6.409 -3.129 0.000) 7.132 15.848 ( -2.706 -0.372 0.000) 2.731 16.117 ( -11.386 2.305 0.000) 11.617 16.264 ( -17.056 -3.662 0.000) 17.444 18.363 ( 0.083 -0.622 0.000) 0.628 18.469 ( 4.586 6.730 0.000) 8.144 18.944 ( 7.785 4.284 0.000) 8.886 19.216 ( 0.350 -0.188 0.000) 0.397 22.044 ( 10.254 0.090 0.000) 10.255 22.288 ( 3.529 0.593 0.000) 3.578 23.458 ( 22.716 -2.829 0.000) 22.891 23.654 ( 18.794 -4.361 0.000) 19.293 23.730 ( 18.571 4.778 0.000) 19.176 24.020 ( 7.294 2.060 0.000) 7.579 ======================= Grid point 6 (7/147) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 3.467 -2.339 0.000) 4.182 2.702 ( 4.028 -1.820 0.000) 4.420 3.301 ( 0.935 1.427 0.000) 1.706 3.376 ( 2.545 -1.089 0.000) 2.768 3.561 ( -0.183 1.600 0.000) 1.611 3.702 ( 0.663 -0.972 0.000) 1.177 4.038 ( 2.958 -4.227 0.000) 5.159 4.046 ( 1.738 -0.284 0.000) 1.761 4.489 ( 1.451 3.891 0.000) 4.153 4.617 ( 5.344 -4.480 0.000) 6.973 5.163 ( 0.858 1.605 0.000) 1.820 5.527 ( 5.159 -9.929 0.000) 11.189 5.592 ( 1.902 -2.855 0.000) 3.431 5.864 ( -0.003 16.835 0.000) 16.835 6.395 ( 0.588 -2.631 0.000) 2.696 6.516 ( 5.732 0.451 0.000) 5.750 6.532 ( -0.547 -0.281 0.000) 0.615 6.996 ( 5.475 -0.371 0.000) 5.487 7.233 ( 5.310 2.756 0.000) 5.983 7.359 ( 3.772 -3.107 0.000) 4.887 7.749 ( -4.170 4.620 0.000) 6.224 8.249 ( 4.412 -0.079 0.000) 4.413 8.911 ( 3.646 4.649 0.000) 5.908 9.011 ( -1.527 -4.346 0.000) 4.606 10.179 ( 4.737 -4.719 0.000) 6.686 10.775 ( 0.384 0.846 0.000) 0.929 12.026 ( -0.907 4.739 0.000) 4.825 12.951 ( 11.088 -16.049 0.000) 19.507 13.042 ( 20.306 -13.804 0.000) 24.554 13.235 ( -3.851 3.484 0.000) 5.193 13.837 ( -20.300 15.490 0.000) 25.535 14.054 ( -0.700 -2.084 0.000) 2.198 14.085 ( -9.393 9.487 0.000) 13.351 14.303 ( -10.798 -3.952 0.000) 11.498 15.073 ( -1.284 -0.698 0.000) 1.462 15.817 ( -0.867 -0.253 0.000) 0.904 15.937 ( -5.199 1.081 0.000) 5.310 16.047 ( -6.489 -1.614 0.000) 6.687 18.370 ( 0.081 -0.406 0.000) 0.414 18.502 ( 1.894 2.193 0.000) 2.898 19.025 ( 2.724 1.346 0.000) 3.038 19.221 ( 0.123 0.033 0.000) 0.128 22.177 ( 3.434 -0.200 0.000) 3.440 22.333 ( 1.357 0.228 0.000) 1.376 23.802 ( 10.384 -2.985 0.000) 10.804 23.911 ( 3.684 3.641 0.000) 5.179 23.956 ( 9.551 -2.898 0.000) 9.981 24.076 ( -0.280 1.881 0.000) 1.901 ======================= Grid point 14 (8/147) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 23.797 -0.000 0.000) 23.797 1.220 ( 28.357 -0.000 0.000) 28.357 2.148 ( 48.984 -0.000 0.000) 48.984 2.777 ( 7.890 -0.000 0.000) 7.890 2.829 ( 9.295 -0.000 0.000) 9.295 2.845 ( 4.400 -0.000 0.000) 4.400 3.134 ( 4.562 -0.000 0.000) 4.562 3.705 ( -1.015 0.000 0.000) 1.015 3.986 ( 4.827 -0.000 0.000) 4.827 4.324 ( 6.770 -0.000 0.000) 6.770 4.643 ( 12.858 -0.000 0.000) 12.858 5.052 ( 19.068 -0.000 0.000) 19.068 5.079 ( 21.910 -0.000 0.000) 21.910 5.123 ( 5.679 -0.000 0.000) 5.679 5.211 ( 5.686 -0.000 0.000) 5.686 5.700 ( 13.757 -0.000 0.000) 13.757 6.061 ( 6.116 -0.000 0.000) 6.116 6.404 ( -1.414 0.000 0.000) 1.414 6.529 ( 10.215 -0.000 0.000) 10.215 7.103 ( 13.562 -0.000 0.000) 13.562 7.200 ( -3.440 0.000 0.000) 3.440 7.886 ( 12.129 -0.000 0.000) 12.129 9.342 ( -13.016 0.000 0.000) 13.016 9.470 ( 8.292 -0.000 0.000) 8.292 9.473 ( -17.239 0.000 0.000) 17.239 10.822 ( 12.302 -0.000 0.000) 12.302 11.702 ( -24.968 0.000 0.000) 24.968 11.974 ( -7.376 0.000 0.000) 7.376 13.528 ( -24.378 0.000 0.000) 24.378 13.816 ( -23.950 0.000 0.000) 23.950 14.377 ( -8.958 0.000 0.000) 8.958 15.015 ( -3.420 0.000 0.000) 3.420 15.166 ( -8.076 0.000 0.000) 8.076 15.552 ( -8.457 0.000 0.000) 8.457 16.019 ( -12.951 0.000 0.000) 12.951 16.422 ( -16.413 0.000 0.000) 16.413 16.999 ( -6.786 0.000 0.000) 6.786 17.004 ( -10.356 0.000 0.000) 10.356 18.416 ( 17.149 -0.000 0.000) 17.149 18.730 ( -16.009 0.000 0.000) 16.009 18.762 ( 22.042 -0.000 0.000) 22.042 18.769 ( -6.646 0.000 0.000) 6.646 21.041 ( 26.435 -0.000 0.000) 26.435 21.362 ( 43.671 -0.000 0.000) 43.671 21.905 ( 35.386 -0.000 0.000) 35.386 22.043 ( 4.261 -0.000 0.000) 4.261 22.077 ( 21.764 -0.000 0.000) 21.764 23.472 ( 9.888 -0.000 0.000) 9.888 ======================= Grid point 15 (9/147) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 24.148 -11.837 0.000) 26.893 1.730 ( 23.489 -2.852 0.000) 23.661 2.964 ( 7.704 -0.112 0.000) 7.705 2.969 ( 11.922 1.489 0.000) 12.014 2.995 ( 37.330 -3.414 0.000) 37.486 3.067 ( 13.219 -5.002 0.000) 14.134 3.274 ( 10.275 0.608 0.000) 10.293 3.684 ( -1.220 -0.301 0.000) 1.256 4.026 ( 0.234 1.108 0.000) 1.133 4.455 ( 7.257 1.973 0.000) 7.521 4.875 ( 10.029 -0.832 0.000) 10.063 5.216 ( 4.918 3.396 0.000) 5.977 5.276 ( 8.860 3.467 0.000) 9.514 5.499 ( 23.548 -2.492 0.000) 23.679 5.580 ( 24.502 0.529 0.000) 24.507 5.940 ( 9.100 -3.327 0.000) 9.689 6.220 ( 11.249 1.007 0.000) 11.294 6.394 ( 1.766 0.783 0.000) 1.931 6.761 ( 14.004 2.497 0.000) 14.225 7.145 ( -1.794 0.469 0.000) 1.854 7.416 ( 18.004 -1.291 0.000) 18.050 8.104 ( 10.789 3.774 0.000) 11.430 9.115 ( -10.484 0.213 0.000) 10.486 9.136 ( -15.099 1.087 0.000) 15.138 9.594 ( 3.925 -2.362 0.000) 4.581 11.086 ( 4.394 10.517 0.000) 11.398 11.300 ( -6.629 -16.864 0.000) 18.120 11.893 ( -4.501 -10.088 0.000) 11.047 13.046 ( -22.550 4.868 0.000) 23.069 13.483 ( -13.423 -4.043 0.000) 14.018 14.194 ( -8.583 1.587 0.000) 8.728 14.924 ( -10.022 -3.910 0.000) 10.758 15.045 ( -2.756 -0.234 0.000) 2.766 15.355 ( -10.925 4.205 0.000) 11.706 15.710 ( -19.712 -1.260 0.000) 19.753 16.144 ( -11.859 1.625 0.000) 11.970 16.738 ( -15.769 1.127 0.000) 15.809 16.820 ( -12.665 -1.420 0.000) 12.745 18.488 ( -7.386 3.306 0.000) 8.092 18.646 ( -3.094 5.485 0.000) 6.298 18.696 ( 12.985 3.030 0.000) 13.333 19.067 ( 8.411 -3.073 0.000) 8.955 21.495 ( 21.532 3.032 0.000) 21.744 22.136 ( 5.497 0.531 0.000) 5.523 22.170 ( 39.693 -0.815 0.000) 39.702 22.566 ( 27.494 -2.233 0.000) 27.585 22.651 ( 40.412 1.996 0.000) 40.461 23.674 ( 11.575 1.629 0.000) 11.689 ======================= Grid point 16 (10/147) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 21.666 -10.566 0.000) 24.105 2.155 ( 18.344 -3.400 0.000) 18.656 3.120 ( 7.831 -0.694 0.000) 7.862 3.180 ( 10.867 2.934 0.000) 11.257 3.381 ( 13.380 -8.223 0.000) 15.704 3.445 ( 10.327 -0.118 0.000) 10.328 3.671 ( -0.320 -1.220 0.000) 1.261 3.680 ( 26.930 -5.866 0.000) 27.562 4.004 ( -0.884 0.969 0.000) 1.311 4.559 ( 5.822 4.591 0.000) 7.414 5.041 ( 6.464 -2.856 0.000) 7.067 5.254 ( 2.955 6.529 0.000) 7.167 5.421 ( 7.393 0.940 0.000) 7.452 5.959 ( 23.018 2.460 0.000) 23.149 5.996 ( 19.668 4.238 0.000) 20.120 6.092 ( 2.517 -8.978 0.000) 9.325 6.451 ( 3.325 -0.729 0.000) 3.404 6.479 ( 15.826 0.557 0.000) 15.836 7.014 ( 15.721 7.412 0.000) 17.381 7.134 ( 0.809 -0.519 0.000) 0.961 7.776 ( 17.617 -1.174 0.000) 17.656 8.177 ( -0.581 6.309 0.000) 6.335 8.930 ( -2.079 3.194 0.000) 3.811 8.976 ( -6.317 -2.448 0.000) 6.774 9.692 ( 4.452 -5.410 0.000) 7.006 10.846 ( -9.059 2.224 0.000) 9.328 11.714 ( 22.263 -13.465 0.000) 26.018 11.977 ( 4.255 -15.075 0.000) 15.664 12.624 ( -16.375 7.700 0.000) 18.095 13.324 ( -7.367 -5.287 0.000) 9.068 14.055 ( -4.237 1.658 0.000) 4.549 14.712 ( -14.627 -5.559 0.000) 15.648 15.003 ( -3.221 4.598 0.000) 5.614 15.063 ( -14.438 9.065 0.000) 17.048 15.290 ( -24.136 -3.895 0.000) 24.449 15.954 ( -6.379 2.152 0.000) 6.732 16.420 ( -15.542 1.393 0.000) 15.604 16.539 ( -17.588 -2.246 0.000) 17.731 18.380 ( -2.720 0.850 0.000) 2.850 18.577 ( 0.408 6.310 0.000) 6.323 18.882 ( 9.242 3.932 0.000) 10.044 19.178 ( 2.660 -1.238 0.000) 2.934 21.826 ( 15.359 2.424 0.000) 15.549 22.235 ( 5.531 1.779 0.000) 5.810 22.875 ( 32.457 -1.526 0.000) 32.492 23.114 ( 25.961 -4.118 0.000) 26.286 23.338 ( 31.780 3.099 0.000) 31.931 23.878 ( 10.359 1.105 0.000) 10.418 ======================= Grid point 17 (11/147) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 16.440 -4.553 0.000) 17.059 2.479 ( 13.064 -2.561 0.000) 13.312 3.259 ( 5.747 -1.290 0.000) 5.890 3.312 ( 4.783 3.291 0.000) 5.806 3.582 ( 3.793 1.225 0.000) 3.986 3.619 ( 4.176 -4.254 0.000) 5.961 3.748 ( 7.295 -6.716 0.000) 9.916 3.994 ( 1.918 -0.065 0.000) 1.919 4.177 ( 17.169 -10.166 0.000) 19.953 4.604 ( 3.307 6.862 0.000) 7.617 5.187 ( 5.721 -5.919 0.000) 8.232 5.242 ( 1.210 6.735 0.000) 6.843 5.531 ( 4.346 0.191 0.000) 4.350 6.189 ( -0.310 -12.440 0.000) 12.444 6.205 ( 10.397 14.704 0.000) 18.009 6.339 ( 16.424 2.303 0.000) 16.585 6.507 ( 1.684 -0.729 0.000) 1.835 6.777 ( 13.628 -1.253 0.000) 13.685 7.184 ( 2.726 -3.386 0.000) 4.347 7.232 ( 12.899 9.696 0.000) 16.136 8.030 ( -7.248 7.192 0.000) 10.211 8.075 ( 12.218 -0.734 0.000) 12.240 8.896 ( -5.333 -5.541 0.000) 7.691 8.969 ( 6.583 4.514 0.000) 7.982 9.867 ( 8.717 -7.281 0.000) 11.357 10.770 ( 0.861 0.562 0.000) 1.028 12.236 ( 20.057 -15.374 0.000) 25.272 12.290 ( 16.064 -16.745 0.000) 23.204 12.307 ( -10.121 8.659 0.000) 13.320 13.265 ( -2.453 -3.795 0.000) 4.518 14.016 ( 1.386 1.697 0.000) 2.191 14.466 ( -14.612 -4.577 0.000) 15.312 14.620 ( -27.806 7.623 0.000) 28.832 14.676 ( -17.158 12.666 0.000) 21.326 15.080 ( -3.301 -2.568 0.000) 4.182 15.860 ( -2.321 1.579 0.000) 2.807 16.145 ( -11.850 1.565 0.000) 11.953 16.216 ( -16.306 -2.741 0.000) 16.534 18.353 ( -0.465 -0.658 0.000) 0.806 18.556 ( 1.190 4.821 0.000) 4.965 18.996 ( 5.266 2.732 0.000) 5.933 19.214 ( 0.864 -0.194 0.000) 0.886 22.053 ( 9.573 0.904 0.000) 9.616 22.317 ( 4.690 2.941 0.000) 5.536 23.420 ( 22.614 -2.160 0.000) 22.717 23.586 ( 19.302 -4.565 0.000) 19.834 23.791 ( 17.627 3.345 0.000) 17.941 24.036 ( 6.114 0.269 0.000) 6.120 ======================= Grid point 18 (12/147) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 9.177 1.891 0.000) 9.370 2.686 ( 7.060 -0.395 0.000) 7.071 3.322 ( -1.088 1.428 0.000) 1.795 3.355 ( 3.022 -1.524 0.000) 3.384 3.583 ( -1.622 1.241 0.000) 2.042 3.688 ( 2.206 -0.796 0.000) 2.345 3.937 ( 4.725 -8.192 0.000) 9.457 4.041 ( 1.965 -0.433 0.000) 2.012 4.498 ( 7.782 -10.421 0.000) 13.006 4.585 ( 0.328 7.684 0.000) 7.691 5.208 ( -0.472 4.448 0.000) 4.473 5.347 ( 4.326 -10.645 0.000) 11.491 5.582 ( 1.038 -0.114 0.000) 1.044 6.170 ( 0.147 21.309 0.000) 21.310 6.269 ( -0.960 -12.631 0.000) 12.668 6.526 ( 0.070 -0.374 0.000) 0.381 6.542 ( 6.208 2.735 0.000) 6.784 6.976 ( 5.060 -2.088 0.000) 5.474 7.275 ( 2.148 -7.196 0.000) 7.509 7.341 ( 5.441 9.858 0.000) 11.260 7.847 ( -5.352 7.745 0.000) 9.415 8.240 ( 3.977 -1.031 0.000) 4.108 8.840 ( -6.438 -9.405 0.000) 11.398 9.060 ( 6.331 6.157 0.000) 8.831 10.100 ( 9.233 -5.567 0.000) 10.781 10.794 ( 0.774 1.449 0.000) 1.642 12.090 ( -7.603 3.807 0.000) 8.503 12.704 ( 15.962 -15.703 0.000) 22.391 12.809 ( 23.563 -16.476 0.000) 28.752 13.281 ( 3.068 2.198 0.000) 3.775 13.940 ( -27.403 -1.483 0.000) 27.443 14.102 ( 0.082 7.844 0.000) 7.844 14.251 ( -16.228 11.854 0.000) 20.097 14.298 ( -2.763 3.004 0.000) 4.082 15.062 ( -0.319 -0.721 0.000) 0.788 15.831 ( 0.337 1.831 0.000) 1.862 15.940 ( -7.585 -0.588 0.000) 7.608 16.034 ( -3.475 -0.147 0.000) 3.479 18.360 ( 0.318 -0.866 0.000) 0.923 18.534 ( -1.137 2.109 0.000) 2.396 19.040 ( 0.522 0.684 0.000) 0.860 19.223 ( 0.228 0.188 0.000) 0.295 22.176 ( 3.511 0.137 0.000) 3.514 22.366 ( 2.732 3.707 0.000) 4.605 23.758 ( 10.262 -2.800 0.000) 10.637 23.902 ( 10.088 -4.087 0.000) 10.884 23.962 ( 2.741 3.093 0.000) 4.133 24.090 ( -0.728 0.129 0.000) 0.739 ======================= Grid point 19 (13/147) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 1.773 6.855 0.000) 7.081 2.740 ( -0.612 3.325 0.000) 3.381 3.279 ( -2.955 -1.533 0.000) 3.329 3.382 ( -1.490 -0.312 0.000) 1.522 3.542 ( -1.852 -0.815 0.000) 2.023 3.715 ( 0.489 0.740 0.000) 0.887 4.031 ( -0.181 -4.863 0.000) 4.866 4.049 ( -1.441 0.073 0.000) 1.443 4.504 ( -3.512 5.573 0.000) 6.588 4.612 ( -2.078 -4.929 0.000) 5.349 5.160 ( -2.235 1.276 0.000) 2.574 5.490 ( 0.362 -13.115 0.000) 13.120 5.576 ( -1.913 -1.488 0.000) 2.424 5.928 ( -7.876 20.261 0.000) 21.738 6.330 ( -2.064 -10.566 0.000) 10.766 6.528 ( 0.213 -0.615 0.000) 0.651 6.531 ( -5.307 2.322 0.000) 5.792 6.985 ( -5.698 -1.778 0.000) 5.969 7.283 ( -4.390 8.489 0.000) 9.557 7.333 ( -3.003 -6.765 0.000) 7.401 7.744 ( 0.406 4.070 0.000) 4.090 8.240 ( -4.776 -1.308 0.000) 4.951 8.784 ( -7.032 -10.583 0.000) 12.706 9.106 ( 3.086 6.464 0.000) 7.163 10.230 ( 1.333 2.009 0.000) 2.411 10.774 ( -1.089 0.788 0.000) 1.344 11.956 ( -5.868 -4.595 0.000) 7.453 13.043 ( 7.728 -5.703 0.000) 9.605 13.177 ( -8.506 3.312 0.000) 9.128 13.282 ( 0.948 11.321 0.000) 11.360 13.590 ( 4.857 -15.316 0.000) 16.068 13.999 ( -1.742 -1.729 0.000) 2.454 14.106 ( 5.280 4.469 0.000) 6.918 14.396 ( 14.715 7.536 0.000) 16.533 15.080 ( 2.311 0.265 0.000) 2.326 15.841 ( 2.543 2.953 0.000) 3.897 15.913 ( 3.615 -2.020 0.000) 4.141 16.076 ( 8.687 2.133 0.000) 8.945 18.371 ( 0.251 -0.260 0.000) 0.361 18.472 ( -5.244 -1.738 0.000) 5.525 19.002 ( -5.056 -1.800 0.000) 5.367 19.222 ( -0.098 0.180 0.000) 0.205 22.181 ( -2.886 0.436 0.000) 2.919 22.362 ( -0.160 3.906 0.000) 3.910 23.828 ( -7.113 -0.899 0.000) 7.170 23.872 ( -8.098 -0.019 0.000) 8.098 23.984 ( -8.462 0.908 0.000) 8.510 24.035 ( -0.859 -3.516 0.000) 3.619 ======================= Grid point 20 (14/147) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -4.045 11.243 0.000) 11.948 2.616 ( -8.104 6.746 0.000) 10.545 3.227 ( -4.738 -2.869 0.000) 5.539 3.303 ( -5.965 1.121 0.000) 6.069 3.508 ( -4.218 -2.921 0.000) 5.131 3.700 ( -0.907 1.598 0.000) 1.837 3.980 ( -6.234 4.044 0.000) 7.431 3.995 ( -3.600 0.021 0.000) 3.600 4.395 ( -5.705 -2.606 0.000) 6.272 4.479 ( -12.283 4.812 0.000) 13.192 5.105 ( -3.712 -1.988 0.000) 4.211 5.435 ( -10.172 5.647 0.000) 11.635 5.540 ( -4.980 -0.508 0.000) 5.006 5.707 ( -5.976 -7.249 0.000) 9.395 6.318 ( -14.739 1.611 0.000) 14.827 6.329 ( -4.918 -6.984 0.000) 8.542 6.556 ( 1.873 -1.332 0.000) 2.299 6.794 ( -14.582 -0.866 0.000) 14.608 7.056 ( -13.377 5.758 0.000) 14.564 7.245 ( -8.276 -2.514 0.000) 8.650 7.812 ( 5.113 -4.330 0.000) 6.700 8.085 ( -11.759 -0.754 0.000) 11.783 8.736 ( -5.065 -9.441 0.000) 10.714 9.086 ( -0.223 5.151 0.000) 5.156 10.135 ( -5.023 9.470 0.000) 10.720 10.748 ( -1.457 -0.686 0.000) 1.611 11.984 ( 2.952 -11.646 0.000) 12.014 12.830 ( -10.503 15.345 0.000) 18.595 12.854 ( -12.533 22.823 0.000) 26.038 13.369 ( 9.135 2.164 0.000) 9.388 13.874 ( 5.590 -11.149 0.000) 12.472 14.207 ( 12.828 -15.574 0.000) 20.177 14.350 ( 18.723 -3.102 0.000) 18.978 14.688 ( 20.413 7.109 0.000) 21.616 15.167 ( 9.036 2.722 0.000) 9.438 15.882 ( 4.539 4.465 0.000) 6.367 16.078 ( 10.894 -2.840 0.000) 11.258 16.320 ( 17.905 3.829 0.000) 18.310 18.365 ( -9.031 -7.170 0.000) 11.531 18.370 ( -0.401 0.241 0.000) 0.468 18.874 ( -10.856 -5.110 0.000) 11.999 19.219 ( -0.072 0.148 0.000) 0.164 22.053 ( -9.953 1.250 0.000) 10.031 22.307 ( -2.659 3.193 0.000) 4.155 23.500 ( -22.877 2.664 0.000) 23.031 23.656 ( -19.704 -5.086 0.000) 20.350 23.707 ( -18.341 2.642 0.000) 18.530 23.973 ( -8.867 -4.315 0.000) 9.861 ======================= Grid point 21 (15/147) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -8.052 16.565 0.000) 18.418 2.345 ( -13.777 9.154 0.000) 16.541 3.124 ( -7.704 -1.488 0.000) 7.846 3.149 ( -8.908 0.976 0.000) 8.961 3.401 ( -8.808 -2.538 0.000) 9.167 3.633 ( -7.071 5.209 0.000) 8.782 3.768 ( -6.605 7.011 0.000) 9.632 3.911 ( -8.879 0.694 0.000) 8.906 4.082 ( -18.055 12.261 0.000) 21.825 4.337 ( -5.194 -8.650 0.000) 10.089 5.052 ( -4.498 -5.233 0.000) 6.901 5.152 ( -12.898 4.165 0.000) 13.554 5.410 ( -9.260 0.162 0.000) 9.261 5.658 ( -9.527 -11.734 0.000) 15.114 5.978 ( -18.461 1.315 0.000) 18.508 6.245 ( -8.419 -5.027 0.000) 9.805 6.474 ( -17.976 -0.224 0.000) 17.978 6.602 ( 2.765 5.237 0.000) 5.922 6.715 ( -19.109 -2.786 0.000) 19.312 7.112 ( -6.979 -4.038 0.000) 8.063 7.816 ( -15.894 0.602 0.000) 15.906 7.925 ( -0.142 -7.863 0.000) 7.864 8.771 ( 3.772 -7.229 0.000) 8.154 9.056 ( 1.172 2.453 0.000) 2.719 9.957 ( -4.830 11.331 0.000) 12.318 10.767 ( 2.877 -2.760 0.000) 3.987 12.137 ( -1.575 -3.443 0.000) 3.786 12.526 ( 4.139 18.102 0.000) 18.570 12.614 ( 2.170 22.228 0.000) 22.334 13.514 ( 9.858 6.116 0.000) 11.601 14.026 ( 7.093 -0.292 0.000) 7.099 14.615 ( 15.073 -18.692 0.000) 24.012 14.713 ( 13.494 -8.006 0.000) 15.691 14.988 ( 13.874 4.845 0.000) 14.696 15.438 ( 21.952 5.501 0.000) 22.631 15.951 ( 6.619 5.103 0.000) 8.358 16.347 ( 14.311 -3.318 0.000) 14.690 16.650 ( 18.489 4.730 0.000) 19.085 18.256 ( -9.689 -14.062 0.000) 17.077 18.352 ( -1.519 -0.756 0.000) 1.697 18.670 ( -15.662 -9.585 0.000) 18.362 19.217 ( 0.211 0.847 0.000) 0.873 21.778 ( -17.944 0.682 0.000) 17.957 22.221 ( -4.117 2.099 0.000) 4.621 22.944 ( -32.685 2.574 0.000) 32.786 23.183 ( -33.687 -6.581 0.000) 34.324 23.258 ( -25.364 4.008 0.000) 25.679 23.780 ( -14.476 -5.905 0.000) 15.634 ======================= Grid point 22 (16/147) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -18.688 11.595 0.000) 21.993 1.980 ( -10.759 22.729 0.000) 25.146 2.965 ( -8.575 0.889 0.000) 8.621 2.970 ( -8.637 0.148 0.000) 8.639 3.235 ( -9.710 -1.673 0.000) 9.853 3.326 ( -14.072 10.894 0.000) 17.796 3.327 ( -33.811 19.154 0.000) 38.859 3.707 ( -0.205 1.051 0.000) 1.071 3.946 ( -2.597 -3.474 0.000) 4.337 4.300 ( -5.443 -7.872 0.000) 9.570 4.884 ( -14.857 -1.733 0.000) 14.958 5.013 ( -4.536 -7.783 0.000) 9.009 5.153 ( -18.517 -3.136 0.000) 18.781 5.486 ( -14.787 -1.846 0.000) 14.901 5.637 ( -13.202 3.093 0.000) 13.559 6.082 ( -11.195 -1.394 0.000) 11.281 6.169 ( -13.157 -1.451 0.000) 13.237 6.315 ( -19.149 -1.370 0.000) 19.198 6.661 ( 1.513 -0.344 0.000) 1.552 7.058 ( -2.954 -7.157 0.000) 7.743 7.489 ( -16.453 2.297 0.000) 16.612 7.887 ( -8.935 -7.340 0.000) 11.563 9.009 ( 14.796 -6.446 0.000) 16.139 9.126 ( 7.417 0.101 0.000) 7.418 9.782 ( -5.730 9.711 0.000) 11.276 10.866 ( 1.535 -5.667 0.000) 5.871 11.971 ( 3.331 23.939 0.000) 24.170 12.564 ( 11.302 28.190 0.000) 30.371 12.812 ( 21.479 -5.612 0.000) 22.200 13.692 ( 15.013 7.916 0.000) 16.972 14.160 ( 7.367 1.429 0.000) 7.504 14.961 ( 7.644 -3.235 0.000) 8.300 15.024 ( 13.474 -16.463 0.000) 21.274 15.180 ( 10.383 5.130 0.000) 11.582 15.803 ( 16.504 4.458 0.000) 17.095 16.103 ( 14.277 3.103 0.000) 14.611 16.656 ( 14.523 -3.995 0.000) 15.062 16.924 ( 13.426 5.158 0.000) 14.382 18.235 ( -4.830 -19.987 0.000) 20.562 18.327 ( -3.401 -5.106 0.000) 6.135 18.434 ( -17.233 -13.772 0.000) 22.061 19.206 ( 0.148 3.799 0.000) 3.802 21.359 ( -26.423 -2.916 0.000) 26.583 22.110 ( -7.492 0.269 0.000) 7.497 22.226 ( -39.745 2.350 0.000) 39.814 22.497 ( -41.782 -7.452 0.000) 42.441 22.713 ( -26.214 5.516 0.000) 26.788 23.535 ( -15.435 -7.456 0.000) 17.141 ======================= Grid point 23 (17/147) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -22.708 14.547 0.000) 26.968 1.563 ( -13.844 26.800 0.000) 30.164 2.440 ( -40.096 24.545 0.000) 47.012 2.805 ( -6.259 2.488 0.000) 6.736 2.842 ( -4.427 -0.367 0.000) 4.443 3.011 ( -9.898 10.106 0.000) 14.145 3.105 ( -5.269 -1.381 0.000) 5.447 3.705 ( 0.154 -0.257 0.000) 0.299 3.916 ( -4.395 -4.659 0.000) 6.405 4.242 ( -5.504 -5.256 0.000) 7.611 4.605 ( -15.861 -4.801 0.000) 16.572 4.808 ( -19.298 -6.868 0.000) 20.484 4.987 ( -4.385 -7.794 0.000) 8.943 5.114 ( -20.242 2.804 0.000) 20.435 5.463 ( -2.663 8.992 0.000) 9.378 5.813 ( -14.217 6.701 0.000) 15.717 5.999 ( -6.940 -3.324 0.000) 7.695 6.061 ( -13.053 -15.654 0.000) 20.382 6.682 ( 2.177 4.265 0.000) 4.788 7.094 ( 0.226 -8.714 0.000) 8.717 7.177 ( -13.293 3.581 0.000) 13.767 7.734 ( -10.970 -5.476 0.000) 12.261 9.316 ( 11.510 -2.985 0.000) 11.891 9.383 ( 17.384 -4.294 0.000) 17.906 9.578 ( -9.114 7.000 0.000) 11.492 10.840 ( -5.448 -0.376 0.000) 5.461 12.045 ( 19.143 21.577 0.000) 28.845 12.609 ( 16.481 32.579 0.000) 36.510 13.314 ( 24.242 -9.946 0.000) 26.203 13.995 ( 22.937 8.487 0.000) 24.457 14.297 ( 6.973 -1.694 0.000) 7.176 15.069 ( 3.936 2.033 0.000) 4.430 15.256 ( -1.676 1.411 0.000) 2.191 15.361 ( 10.818 -11.801 0.000) 16.009 16.009 ( 8.267 -1.584 0.000) 8.418 16.432 ( 19.810 2.741 0.000) 19.999 16.935 ( 10.551 -3.950 0.000) 11.267 17.081 ( 6.546 4.715 0.000) 8.067 18.244 ( -11.437 -11.689 0.000) 16.354 18.280 ( -9.763 -12.759 0.000) 16.066 18.374 ( 3.074 -20.944 0.000) 21.169 19.171 ( 2.794 10.047 0.000) 10.428 20.834 ( -31.790 -9.615 0.000) 33.213 21.409 ( -42.981 2.600 0.000) 43.060 21.774 ( -36.780 -7.937 0.000) 37.627 21.832 ( -26.858 -6.784 0.000) 27.701 22.285 ( -10.001 9.223 0.000) 13.605 23.324 ( -11.817 -7.518 0.000) 14.006 ======================= Grid point 24 (18/147) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -22.671 19.391 0.000) 29.833 1.014 ( -29.280 17.444 0.000) 34.083 1.504 ( -26.988 43.714 0.000) 51.374 2.704 ( -2.351 2.409 0.000) 3.365 2.801 ( -0.506 0.241 0.000) 0.560 2.806 ( -4.422 8.730 0.000) 9.786 3.064 ( -0.677 -2.603 0.000) 2.690 3.713 ( 0.162 -0.833 0.000) 0.848 3.828 ( -6.940 -2.185 0.000) 7.276 4.179 ( -3.829 -3.183 0.000) 4.979 4.402 ( -7.947 -5.514 0.000) 9.672 4.560 ( -13.578 -11.170 0.000) 17.582 4.766 ( -11.052 4.723 0.000) 12.019 4.961 ( -3.256 -5.689 0.000) 6.555 5.362 ( 0.257 12.316 0.000) 12.319 5.516 ( -10.314 5.730 0.000) 11.799 5.932 ( -3.094 -3.728 0.000) 4.845 6.019 ( -5.487 -19.573 0.000) 20.327 6.680 ( 2.299 8.500 0.000) 8.806 6.943 ( -8.021 3.371 0.000) 8.701 7.181 ( 1.785 -8.485 0.000) 8.671 7.570 ( -9.771 -3.991 0.000) 10.554 9.360 ( -7.793 5.106 0.000) 9.317 9.546 ( 9.063 -3.093 0.000) 9.577 9.701 ( 11.567 -3.324 0.000) 12.035 10.734 ( -3.080 4.311 0.000) 5.299 12.237 ( 12.217 14.072 0.000) 18.635 12.743 ( 27.487 37.253 0.000) 46.296 13.830 ( 19.119 -8.729 0.000) 21.017 14.423 ( 25.391 5.050 0.000) 25.888 14.438 ( 3.773 -5.098 0.000) 6.343 15.019 ( -26.972 -12.792 0.000) 29.851 15.127 ( 0.042 -0.173 0.000) 0.178 15.621 ( 9.325 -7.858 0.000) 12.194 16.161 ( 4.913 -4.058 0.000) 6.372 16.761 ( 13.556 -2.050 0.000) 13.710 17.059 ( -4.236 -1.306 0.000) 4.433 17.110 ( 2.122 1.727 0.000) 2.736 18.089 ( -17.547 -11.331 0.000) 20.887 18.219 ( 9.915 8.537 0.000) 13.084 18.613 ( 5.177 -18.099 0.000) 18.825 19.279 ( 18.682 9.479 0.000) 20.949 20.362 ( -25.380 -17.548 0.000) 30.855 20.569 ( -41.283 3.731 0.000) 41.452 21.205 ( -49.731 -19.670 0.000) 53.480 21.297 ( -18.051 -7.980 0.000) 19.736 22.122 ( -2.000 10.161 0.000) 10.356 23.203 ( -5.775 -5.327 0.000) 7.856 ======================= Grid point 25 (19/147) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( 0.000 19.212 0.000) 19.212 0.422 ( 0.000 28.352 0.000) 28.352 0.880 ( 0.000 59.404 0.000) 59.404 2.670 ( 0.000 1.572 0.000) 1.572 2.707 ( 0.000 6.523 0.000) 6.523 2.795 ( 0.000 0.587 0.000) 0.587 3.089 ( -0.000 -2.883 0.000) 2.883 3.721 ( -0.000 -0.675 0.000) 0.675 3.751 ( -0.000 -0.585 0.000) 0.585 4.158 ( -0.000 -1.936 0.000) 1.936 4.377 ( -0.000 -2.032 0.000) 2.032 4.470 ( -0.000 -8.220 0.000) 8.220 4.664 ( -0.000 -1.562 0.000) 1.562 4.961 ( -0.000 -3.729 0.000) 3.729 5.296 ( 0.000 10.709 0.000) 10.709 5.376 ( 0.000 3.768 0.000) 3.768 5.928 ( -0.000 -2.841 0.000) 2.841 6.116 ( -0.000 -19.545 0.000) 19.545 6.627 ( 0.000 12.596 0.000) 12.596 6.844 ( 0.000 1.518 0.000) 1.518 7.262 ( -0.000 -6.266 0.000) 6.266 7.429 ( 0.000 1.435 0.000) 1.435 9.246 ( 0.000 3.537 0.000) 3.537 9.666 ( -0.000 -2.919 0.000) 2.919 9.840 ( -0.000 -1.784 0.000) 1.784 10.671 ( 0.000 4.351 0.000) 4.351 12.272 ( 0.000 8.783 0.000) 8.783 13.531 ( 0.000 7.428 0.000) 7.428 13.904 ( -0.000 -0.098 0.000) 0.098 14.067 ( -0.000 -4.471 0.000) 4.471 14.571 ( 0.000 0.056 0.000) 0.056 14.709 ( 0.000 0.897 0.000) 0.897 15.147 ( 0.000 0.010 0.000) 0.010 15.808 ( -0.000 -6.888 0.000) 6.888 16.239 ( -0.000 -3.323 0.000) 3.323 16.918 ( -0.000 -0.077 0.000) 0.077 16.928 ( -0.000 -5.571 0.000) 5.571 17.125 ( 0.000 1.796 0.000) 1.796 17.955 ( -0.000 -5.704 0.000) 5.704 18.654 ( -0.000 -2.346 0.000) 2.346 18.710 ( -0.000 -0.064 0.000) 0.064 19.672 ( 0.000 0.058 0.000) 0.058 19.887 ( 0.000 8.463 0.000) 8.463 20.035 ( -0.000 -9.800 0.000) 9.800 20.362 ( -0.000 -0.012 0.000) 0.012 21.185 ( -0.000 -6.213 0.000) 6.213 22.031 ( 0.000 8.997 0.000) 8.997 23.170 ( -0.000 -1.683 0.000) 1.683 ======================= Grid point 28 (20/147) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 25.333 -0.000 0.000) 25.333 2.130 ( 19.092 -0.000 0.000) 19.092 3.114 ( 7.691 -0.000 0.000) 7.691 3.218 ( 11.634 -0.000 0.000) 11.634 3.303 ( 13.282 -0.000 0.000) 13.282 3.441 ( 11.251 -0.000 0.000) 11.251 3.640 ( 25.787 -0.000 0.000) 25.787 3.662 ( -0.639 0.000 0.000) 0.639 4.012 ( -1.410 0.000 0.000) 1.410 4.593 ( 6.043 -0.000 0.000) 6.043 5.018 ( 6.012 -0.000 0.000) 6.012 5.309 ( 3.177 -0.000 0.000) 3.177 5.428 ( 6.729 -0.000 0.000) 6.729 5.971 ( 24.066 -0.000 0.000) 24.066 6.017 ( 1.243 -0.000 0.000) 1.243 6.033 ( 21.231 -0.000 0.000) 21.231 6.447 ( 3.400 -0.000 0.000) 3.400 6.485 ( 15.250 -0.000 0.000) 15.250 7.070 ( 15.849 -0.000 0.000) 15.849 7.130 ( 0.185 -0.000 0.000) 0.185 7.767 ( 18.075 -0.000 0.000) 18.075 8.226 ( -1.017 0.000 0.000) 1.017 8.955 ( -7.314 0.000 0.000) 7.314 8.955 ( -1.845 0.000 0.000) 1.845 9.651 ( 4.237 -0.000 0.000) 4.237 10.864 ( -11.115 0.000 0.000) 11.115 11.610 ( 24.621 -0.000 0.000) 24.621 11.861 ( 5.509 -0.000 0.000) 5.509 12.686 ( -16.635 0.000 0.000) 16.635 13.281 ( -6.660 0.000 0.000) 6.660 14.069 ( -4.364 0.000 0.000) 4.364 14.666 ( -13.738 0.000 0.000) 13.738 15.042 ( 0.628 -0.000 0.000) 0.628 15.131 ( -14.240 0.000 0.000) 14.240 15.257 ( -26.777 0.000 0.000) 26.777 15.972 ( -6.798 0.000 0.000) 6.798 16.431 ( -15.762 0.000 0.000) 15.762 16.522 ( -17.458 0.000 0.000) 17.458 18.387 ( -3.736 0.000 0.000) 3.736 18.624 ( -0.975 0.000 0.000) 0.975 18.911 ( 8.353 -0.000 0.000) 8.353 19.168 ( 3.449 -0.000 0.000) 3.449 21.846 ( 14.422 -0.000 0.000) 14.422 22.251 ( 6.014 -0.000 0.000) 6.014 22.863 ( 32.456 -0.000 0.000) 32.456 23.081 ( 26.091 -0.000 0.000) 26.091 23.361 ( 31.468 -0.000 0.000) 31.468 23.886 ( 9.685 -0.000 0.000) 9.685 ======================= Grid point 29 (21/147) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 21.458 -1.439 0.000) 21.507 2.455 ( 14.348 -0.805 0.000) 14.371 3.246 ( 5.687 -0.459 0.000) 5.705 3.360 ( 3.778 2.650 0.000) 4.614 3.551 ( 9.482 -3.826 0.000) 10.224 3.589 ( 3.765 -0.025 0.000) 3.765 3.687 ( 3.644 -1.771 0.000) 4.051 3.991 ( 2.040 -0.336 0.000) 2.068 4.076 ( 15.875 -3.251 0.000) 16.204 4.676 ( 3.373 2.540 0.000) 4.222 5.128 ( 4.773 -2.082 0.000) 5.207 5.332 ( 0.847 4.150 0.000) 4.236 5.533 ( 4.071 0.060 0.000) 4.071 6.035 ( -1.125 -6.567 0.000) 6.662 6.354 ( 13.454 5.123 0.000) 14.396 6.370 ( 17.114 1.325 0.000) 17.165 6.501 ( 1.904 -0.155 0.000) 1.910 6.765 ( 12.768 -0.328 0.000) 12.772 7.147 ( 0.756 -1.359 0.000) 1.555 7.336 ( 12.681 3.825 0.000) 13.245 8.068 ( 12.287 -0.262 0.000) 12.290 8.109 ( -7.321 3.081 0.000) 7.943 8.821 ( -8.001 -3.191 0.000) 8.614 9.023 ( 7.149 2.079 0.000) 7.446 9.790 ( 9.311 -2.818 0.000) 9.728 10.776 ( 0.720 0.197 0.000) 0.746 12.079 ( 21.398 -5.517 0.000) 22.097 12.111 ( 17.692 -6.624 0.000) 18.892 12.399 ( -12.384 3.384 0.000) 12.838 13.222 ( -0.032 -1.673 0.000) 1.674 14.034 ( 0.203 0.646 0.000) 0.677 14.417 ( -12.771 -1.777 0.000) 12.894 14.699 ( -28.415 2.690 0.000) 28.542 14.807 ( -17.647 4.685 0.000) 18.258 15.054 ( -0.235 -0.851 0.000) 0.883 15.881 ( -2.471 0.879 0.000) 2.622 16.163 ( -11.827 0.924 0.000) 11.863 16.185 ( -16.177 -1.388 0.000) 16.236 18.346 ( -0.908 -0.281 0.000) 0.950 18.605 ( -0.632 1.755 0.000) 1.865 19.023 ( 3.857 0.922 0.000) 3.966 19.211 ( 1.283 -0.087 0.000) 1.286 22.065 ( 8.872 0.539 0.000) 8.888 22.356 ( 5.346 1.686 0.000) 5.605 23.398 ( 22.574 -0.810 0.000) 22.588 23.533 ( 19.689 -2.062 0.000) 19.796 23.825 ( 17.087 1.198 0.000) 17.129 24.035 ( 5.527 -0.165 0.000) 5.530 ======================= Grid point 30 (22/147) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 14.194 3.032 0.000) 14.514 2.686 ( 9.296 0.190 0.000) 9.298 3.336 ( 3.077 -0.943 0.000) 3.218 3.342 ( -3.141 1.166 0.000) 3.351 3.593 ( -2.368 0.035 0.000) 2.368 3.685 ( 4.260 0.640 0.000) 4.308 3.821 ( 4.919 -6.902 0.000) 8.475 4.031 ( 1.686 -0.900 0.000) 1.912 4.357 ( 8.511 -7.334 0.000) 11.235 4.684 ( 0.319 4.976 0.000) 4.986 5.230 ( 3.018 -5.212 0.000) 6.023 5.287 ( -1.475 5.697 0.000) 5.885 5.580 ( 0.807 -0.113 0.000) 0.814 6.078 ( -1.507 -11.558 0.000) 11.656 6.444 ( 2.902 14.630 0.000) 14.916 6.521 ( 0.110 -0.290 0.000) 0.310 6.586 ( 6.591 2.664 0.000) 7.110 6.945 ( 4.580 -1.652 0.000) 4.869 7.169 ( -1.380 -6.508 0.000) 6.653 7.476 ( 5.627 7.295 0.000) 9.213 7.957 ( -4.550 6.485 0.000) 7.922 8.223 ( 3.261 -1.034 0.000) 3.421 8.700 ( -8.880 -8.508 0.000) 12.298 9.137 ( 6.234 3.844 0.000) 7.324 10.028 ( 11.876 -3.791 0.000) 12.466 10.813 ( 1.679 0.996 0.000) 1.952 12.135 ( -12.555 2.094 0.000) 12.728 12.517 ( 18.089 -9.060 0.000) 20.231 12.598 ( 24.868 -10.843 0.000) 27.129 13.302 ( 7.521 0.787 0.000) 7.562 13.902 ( -22.565 -2.412 0.000) 22.694 14.194 ( -5.470 4.317 0.000) 6.968 14.353 ( 0.357 3.121 0.000) 3.141 14.402 ( -19.060 7.746 0.000) 20.574 15.056 ( 0.389 -0.015 0.000) 0.390 15.860 ( 1.116 1.731 0.000) 2.060 15.927 ( -8.657 -0.880 0.000) 8.701 16.037 ( -1.963 0.347 0.000) 1.994 18.347 ( 0.436 -0.708 0.000) 0.832 18.561 ( -3.213 1.331 0.000) 3.477 19.047 ( -1.064 0.202 0.000) 1.083 19.226 ( 0.362 0.166 0.000) 0.398 22.181 ( 3.572 0.474 0.000) 3.604 22.423 ( 3.478 3.462 0.000) 4.907 23.724 ( 10.073 -1.659 0.000) 10.209 23.846 ( 10.445 -3.196 0.000) 10.923 23.998 ( 2.183 1.723 0.000) 2.781 24.086 ( -0.872 -0.501 0.000) 1.006 ======================= Grid point 31 (23/147) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 5.991 8.697 0.000) 10.561 2.794 ( 2.929 3.672 0.000) 4.697 3.256 ( -5.213 -1.516 0.000) 5.429 3.370 ( -0.699 -1.058 0.000) 1.268 3.533 ( -3.431 -0.575 0.000) 3.479 3.729 ( 1.171 1.357 0.000) 1.792 3.932 ( 0.865 -7.478 0.000) 7.528 4.043 ( -1.501 -1.058 0.000) 1.836 4.503 ( 0.492 -8.264 0.000) 8.279 4.609 ( -3.659 7.163 0.000) 8.043 5.201 ( -3.584 4.078 0.000) 5.429 5.316 ( 0.376 -9.083 0.000) 9.090 5.566 ( -2.470 -0.495 0.000) 2.519 6.135 ( -2.854 -14.083 0.000) 14.370 6.250 ( -8.358 21.520 0.000) 23.086 6.519 ( -0.381 -0.576 0.000) 0.691 6.578 ( -4.929 3.592 0.000) 6.099 6.949 ( -5.866 -2.695 0.000) 6.455 7.189 ( -4.100 -11.589 0.000) 12.292 7.432 ( -3.494 10.120 0.000) 10.706 7.841 ( -1.590 8.110 0.000) 8.264 8.212 ( -5.400 -2.260 0.000) 5.854 8.615 ( -7.639 -11.778 0.000) 14.039 9.189 ( 2.184 4.608 0.000) 5.099 10.241 ( 6.971 -0.269 0.000) 6.976 10.796 ( -1.878 1.852 0.000) 2.637 11.896 ( -11.298 -3.338 0.000) 11.781 12.919 ( 16.594 -8.635 0.000) 18.706 13.124 ( 15.525 -8.772 0.000) 17.831 13.435 ( 6.060 7.765 0.000) 9.850 13.449 ( -16.545 -4.011 0.000) 17.024 14.025 ( -12.161 4.189 0.000) 12.862 14.176 ( 6.483 4.563 0.000) 7.928 14.495 ( 14.361 5.292 0.000) 15.305 15.085 ( 3.342 0.516 0.000) 3.382 15.883 ( 2.820 -1.851 0.000) 3.373 15.894 ( 4.470 3.704 0.000) 5.805 16.105 ( 9.900 1.653 0.000) 10.037 18.364 ( 0.575 -0.578 0.000) 0.815 18.452 ( -8.146 -1.012 0.000) 8.209 18.976 ( -7.011 -1.628 0.000) 7.197 19.226 ( -0.122 0.261 0.000) 0.288 22.191 ( -2.077 0.933 0.000) 2.277 22.432 ( 0.520 4.883 0.000) 4.910 23.792 ( -5.010 -2.592 0.000) 5.641 23.895 ( -11.158 1.763 0.000) 11.296 23.968 ( -0.917 -3.424 0.000) 3.544 23.997 ( -8.495 -0.707 0.000) 8.525 ======================= Grid point 32 (24/147) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -0.477 12.778 0.000) 12.787 2.728 ( -5.133 8.288 0.000) 9.749 3.180 ( -4.988 -3.655 0.000) 6.184 3.311 ( -5.803 -0.037 0.000) 5.804 3.471 ( -4.705 -2.085 0.000) 5.146 3.717 ( -1.287 0.792 0.000) 1.511 3.963 ( -2.700 -5.202 0.000) 5.860 3.991 ( -4.397 -0.835 0.000) 4.475 4.436 ( -8.432 7.028 0.000) 10.977 4.484 ( -7.484 -3.376 0.000) 8.210 5.097 ( -5.124 0.921 0.000) 5.207 5.369 ( -3.309 -11.156 0.000) 11.637 5.493 ( -5.947 -0.505 0.000) 5.968 5.866 ( -13.499 19.725 0.000) 23.902 6.158 ( -6.393 -14.747 0.000) 16.073 6.359 ( -14.456 3.644 0.000) 14.909 6.526 ( 0.466 -1.735 0.000) 1.796 6.769 ( -14.372 -2.436 0.000) 14.577 7.144 ( -9.792 -10.924 0.000) 14.670 7.204 ( -11.244 11.988 0.000) 16.436 7.804 ( 2.303 3.028 0.000) 3.805 8.062 ( -11.748 -2.421 0.000) 11.995 8.584 ( -4.015 -10.993 0.000) 11.703 9.153 ( -2.038 4.009 0.000) 4.498 10.262 ( -1.416 7.457 0.000) 7.590 10.743 ( -2.437 0.065 0.000) 2.438 11.823 ( -0.264 -9.826 0.000) 9.830 13.010 ( -7.692 9.129 0.000) 11.938 13.142 ( -1.613 13.684 0.000) 13.779 13.399 ( 6.855 3.575 0.000) 7.731 13.672 ( 13.755 -14.706 0.000) 20.136 14.020 ( 7.920 -9.233 0.000) 12.164 14.360 ( 14.102 3.256 0.000) 14.473 14.773 ( 17.210 4.102 0.000) 17.692 15.207 ( 11.688 2.668 0.000) 11.989 15.973 ( 7.881 7.295 0.000) 10.739 16.036 ( 10.447 -2.796 0.000) 10.814 16.373 ( 18.683 3.173 0.000) 18.950 18.265 ( -13.780 -6.113 0.000) 15.075 18.370 ( -0.416 -0.176 0.000) 0.452 18.799 ( -13.769 -4.721 0.000) 14.556 19.221 ( -0.109 0.133 0.000) 0.172 22.079 ( -8.748 2.190 0.000) 9.018 22.374 ( -2.393 5.393 0.000) 5.900 23.531 ( -22.837 1.127 0.000) 22.865 23.590 ( -20.991 -3.408 0.000) 21.266 23.732 ( -18.005 0.867 0.000) 18.025 23.899 ( -10.472 -5.463 0.000) 11.811 ======================= Grid point 33 (25/147) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -11.291 10.972 0.000) 15.743 2.545 ( -5.337 15.579 0.000) 16.467 3.098 ( -6.149 -2.191 0.000) 6.528 3.160 ( -9.342 0.450 0.000) 9.353 3.364 ( -8.244 -2.474 0.000) 8.608 3.671 ( -3.581 0.576 0.000) 3.627 3.872 ( -7.674 4.640 0.000) 8.968 3.899 ( -6.169 -1.461 0.000) 6.340 4.242 ( -7.901 -2.523 0.000) 8.294 4.245 ( -15.930 7.795 0.000) 17.735 4.996 ( -5.887 -2.350 0.000) 6.339 5.232 ( -15.622 6.765 0.000) 17.024 5.342 ( -12.105 -9.703 0.000) 15.514 5.596 ( -3.896 4.685 0.000) 6.093 6.007 ( -18.575 2.599 0.000) 18.756 6.094 ( -11.416 -14.341 0.000) 18.330 6.464 ( -17.799 -1.168 0.000) 17.838 6.554 ( -0.968 -3.866 0.000) 3.985 6.859 ( -13.170 13.654 0.000) 18.970 7.005 ( -11.527 -10.693 0.000) 15.723 7.811 ( -15.404 -1.328 0.000) 15.461 7.844 ( 0.066 -2.808 0.000) 2.809 8.654 ( 4.778 -8.513 0.000) 9.762 9.090 ( -0.926 2.139 0.000) 2.330 10.129 ( -4.064 11.780 0.000) 12.461 10.726 ( 0.294 -2.770 0.000) 2.786 11.999 ( 8.103 -11.462 0.000) 14.037 12.880 ( -1.906 25.477 0.000) 25.548 12.896 ( 5.109 15.620 0.000) 16.434 13.590 ( 11.662 3.918 0.000) 12.302 14.003 ( 13.159 -3.630 0.000) 13.650 14.349 ( 14.602 -16.612 0.000) 22.117 14.616 ( 12.324 -3.927 0.000) 12.934 15.039 ( 12.159 1.932 0.000) 12.311 15.518 ( 22.612 5.201 0.000) 23.202 16.079 ( 10.297 11.827 0.000) 15.682 16.296 ( 13.705 -3.514 0.000) 14.149 16.719 ( 19.128 4.483 0.000) 19.646 18.042 ( -16.203 -14.561 0.000) 21.785 18.343 ( -2.795 -0.502 0.000) 2.840 18.525 ( -19.894 -9.649 0.000) 22.110 19.224 ( 0.603 0.090 0.000) 0.610 21.809 ( -17.680 3.298 0.000) 17.985 22.272 ( -4.152 4.569 0.000) 6.174 22.976 ( -33.278 1.561 0.000) 33.314 23.089 ( -34.447 -5.702 0.000) 34.916 23.301 ( -25.294 1.886 0.000) 25.364 23.678 ( -16.620 -7.614 0.000) 18.281 ======================= Grid point 34 (26/147) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -15.754 13.480 0.000) 20.735 2.272 ( -10.929 16.858 0.000) 20.090 2.972 ( -9.176 0.237 0.000) 9.180 2.978 ( -6.685 0.652 0.000) 6.717 3.209 ( -8.936 -1.935 0.000) 9.143 3.482 ( -12.436 9.591 0.000) 15.705 3.624 ( -23.149 18.148 0.000) 29.414 3.725 ( -2.544 1.708 0.000) 3.064 3.913 ( -7.457 0.605 0.000) 7.482 4.175 ( -4.770 -8.570 0.000) 9.808 4.863 ( -18.658 0.194 0.000) 18.659 4.913 ( -5.597 -5.583 0.000) 7.906 5.089 ( -19.938 -5.947 0.000) 20.806 5.497 ( -8.466 3.752 0.000) 9.260 5.671 ( -11.445 1.326 0.000) 11.521 5.944 ( -14.918 -14.904 0.000) 21.088 6.154 ( -14.033 -0.690 0.000) 14.050 6.364 ( -17.625 6.019 0.000) 18.624 6.693 ( 2.635 4.258 0.000) 5.008 6.905 ( -7.589 -13.588 0.000) 15.563 7.510 ( -15.878 0.351 0.000) 15.882 7.806 ( -6.301 -3.557 0.000) 7.236 8.903 ( 14.127 -7.669 0.000) 16.075 9.128 ( 6.335 0.181 0.000) 6.338 9.942 ( -6.654 11.690 0.000) 13.451 10.784 ( 1.348 -5.540 0.000) 5.702 12.209 ( 10.836 5.417 0.000) 12.115 12.850 ( 14.802 13.111 0.000) 19.774 12.948 ( 14.204 22.822 0.000) 26.881 13.804 ( 16.078 7.116 0.000) 17.583 14.206 ( 8.578 4.526 0.000) 9.698 14.771 ( 15.567 -17.058 0.000) 23.094 14.895 ( 12.052 -5.513 0.000) 13.253 15.216 ( 6.932 0.341 0.000) 6.941 15.876 ( 14.254 5.282 0.000) 15.201 16.213 ( 15.169 11.608 0.000) 19.101 16.593 ( 13.773 -4.399 0.000) 14.458 17.005 ( 14.107 5.665 0.000) 15.202 17.923 ( -8.628 -21.868 0.000) 23.508 18.214 ( -20.596 -15.531 0.000) 25.796 18.265 ( -7.001 -3.319 0.000) 7.748 19.243 ( 1.843 1.204 0.000) 2.202 21.347 ( -28.513 1.377 0.000) 28.547 22.133 ( -9.123 2.695 0.000) 9.513 22.255 ( -40.256 1.086 0.000) 40.271 22.387 ( -42.270 -6.854 0.000) 42.822 22.778 ( -25.383 3.073 0.000) 25.568 23.413 ( -16.361 -8.815 0.000) 18.584 ======================= Grid point 35 (27/147) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -18.697 17.034 0.000) 25.293 1.855 ( -21.757 14.104 0.000) 25.928 2.836 ( -4.565 -0.376 0.000) 4.581 2.847 ( -5.105 3.060 0.000) 5.951 2.912 ( -23.317 35.804 0.000) 42.727 3.091 ( -6.169 0.642 0.000) 6.202 3.175 ( -9.657 11.838 0.000) 15.277 3.696 ( -1.026 -1.045 0.000) 1.464 3.834 ( -5.078 -6.227 0.000) 8.035 4.150 ( -4.278 -7.120 0.000) 8.306 4.515 ( -19.752 -6.331 0.000) 20.742 4.728 ( -19.919 -4.564 0.000) 20.435 4.868 ( -4.261 -7.878 0.000) 8.956 5.173 ( -17.277 4.918 0.000) 17.964 5.577 ( 0.281 6.171 0.000) 6.177 5.777 ( -13.639 -16.878 0.000) 21.700 5.955 ( -8.115 -2.397 0.000) 8.461 5.969 ( -16.473 8.625 0.000) 18.595 6.734 ( 3.385 2.747 0.000) 4.359 6.915 ( -2.897 -15.493 0.000) 15.762 7.220 ( -12.950 2.000 0.000) 13.104 7.681 ( -8.047 -1.828 0.000) 8.252 9.237 ( 12.665 -7.062 0.000) 14.501 9.340 ( 15.280 -1.791 0.000) 15.384 9.700 ( -9.945 9.457 0.000) 13.724 10.817 ( -1.362 -2.718 0.000) 3.040 12.381 ( 17.435 21.772 0.000) 27.893 13.075 ( 18.600 29.408 0.000) 34.796 13.187 ( 21.173 -5.995 0.000) 22.005 14.122 ( 22.723 8.490 0.000) 24.257 14.304 ( 5.669 2.920 0.000) 6.377 15.093 ( 5.477 0.447 0.000) 5.495 15.172 ( 14.127 -13.185 0.000) 19.324 15.232 ( -9.406 -3.662 0.000) 10.093 15.975 ( 2.189 -2.997 0.000) 3.711 16.497 ( 16.903 5.582 0.000) 17.801 16.867 ( 10.571 -4.989 0.000) 11.689 17.162 ( 6.376 6.309 0.000) 8.970 17.980 ( -6.557 -22.998 0.000) 23.915 18.121 ( -12.660 -8.926 0.000) 15.490 18.135 ( 8.141 -11.174 0.000) 13.825 19.279 ( 4.550 4.586 0.000) 6.460 20.723 ( -36.681 -4.992 0.000) 37.019 21.446 ( -42.373 2.172 0.000) 42.428 21.648 ( -37.990 -8.753 0.000) 38.986 21.768 ( -30.600 -2.201 0.000) 30.679 22.402 ( -8.933 6.135 0.000) 10.837 23.212 ( -10.299 -7.420 0.000) 12.693 ======================= Grid point 36 (28/147) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -36.430 10.601 0.000) 37.941 1.205 ( -16.422 22.176 0.000) 27.594 2.246 ( -10.031 52.680 0.000) 53.626 2.750 ( -2.260 3.727 0.000) 4.359 2.803 ( 0.348 0.079 0.000) 0.357 2.959 ( -4.012 11.690 0.000) 12.359 3.027 ( -2.002 -2.127 0.000) 2.921 3.693 ( -0.520 -1.962 0.000) 2.030 3.782 ( -4.755 -4.267 0.000) 6.389 4.119 ( -3.232 -4.951 0.000) 5.913 4.253 ( -12.796 -13.052 0.000) 18.278 4.441 ( -13.168 -5.529 0.000) 14.281 4.857 ( -9.767 7.094 0.000) 12.071 4.860 ( -2.640 -7.631 0.000) 8.074 5.533 ( 1.352 10.555 0.000) 10.641 5.632 ( -9.606 9.732 0.000) 13.674 5.716 ( -7.935 -21.185 0.000) 22.622 5.869 ( -3.752 -4.598 0.000) 5.934 6.773 ( 3.367 4.345 0.000) 5.497 6.995 ( -8.356 3.223 0.000) 8.956 7.008 ( 0.396 -14.954 0.000) 14.960 7.546 ( -6.384 0.194 0.000) 6.387 9.456 ( -7.849 7.779 0.000) 11.051 9.481 ( 8.005 -5.610 0.000) 9.775 9.651 ( 12.469 -3.365 0.000) 12.915 10.787 ( -1.362 2.413 0.000) 2.771 12.501 ( 10.489 20.934 0.000) 23.414 13.240 ( 23.842 30.315 0.000) 38.567 13.678 ( 19.839 -11.494 0.000) 22.928 14.383 ( -0.266 -1.998 0.000) 2.016 14.510 ( 21.885 6.362 0.000) 22.791 14.837 ( -32.964 -11.219 0.000) 34.821 15.148 ( 0.778 2.284 0.000) 2.413 15.492 ( 10.635 -8.835 0.000) 13.826 16.077 ( 3.120 -7.432 0.000) 8.060 16.693 ( 3.579 -7.284 0.000) 8.116 17.028 ( -0.255 -2.950 0.000) 2.961 17.139 ( -3.016 2.300 0.000) 3.793 17.939 ( -11.304 -8.463 0.000) 14.121 18.223 ( 20.364 -10.967 0.000) 23.129 18.475 ( 18.819 3.214 0.000) 19.092 19.399 ( 14.059 6.241 0.000) 15.382 20.106 ( -31.648 -15.218 0.000) 35.117 20.628 ( -39.302 3.775 0.000) 39.483 21.042 ( -46.564 -5.279 0.000) 46.863 21.159 ( -19.066 -10.151 0.000) 21.600 22.264 ( -1.898 8.207 0.000) 8.423 23.132 ( -2.973 -4.434 0.000) 5.339 ======================= Grid point 37 (29/147) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 0.000 18.093 0.000) 18.093 0.832 ( 0.000 27.182 0.000) 27.182 1.746 ( 0.000 57.944 0.000) 57.944 2.705 ( 0.000 3.086 0.000) 3.086 2.808 ( 0.000 1.080 0.000) 1.080 2.838 ( 0.000 10.808 0.000) 10.808 3.036 ( -0.000 -3.913 0.000) 3.913 3.703 ( -0.000 -1.842 0.000) 1.842 3.738 ( -0.000 -1.037 0.000) 1.037 4.116 ( -0.000 -3.725 0.000) 3.725 4.260 ( -0.000 -17.754 0.000) 17.754 4.334 ( -0.000 -3.804 0.000) 3.804 4.715 ( 0.000 6.591 0.000) 6.591 4.884 ( -0.000 -6.453 0.000) 6.453 5.464 ( 0.000 8.288 0.000) 8.288 5.468 ( 0.000 11.793 0.000) 11.793 5.807 ( -0.000 -22.118 0.000) 22.118 5.870 ( -0.000 -4.851 0.000) 4.851 6.779 ( 0.000 7.797 0.000) 7.797 6.875 ( 0.000 2.520 0.000) 2.520 7.123 ( -0.000 -12.579 0.000) 12.579 7.458 ( 0.000 2.374 0.000) 2.374 9.322 ( 0.000 6.570 0.000) 6.570 9.604 ( -0.000 -5.316 0.000) 5.316 9.805 ( -0.000 -2.882 0.000) 2.882 10.744 ( 0.000 4.790 0.000) 4.790 12.464 ( 0.000 16.929 0.000) 16.929 13.687 ( 0.000 13.467 0.000) 13.467 13.902 ( -0.000 -0.175 0.000) 0.175 13.965 ( -0.000 -9.413 0.000) 9.413 14.576 ( 0.000 0.631 0.000) 0.631 14.735 ( 0.000 2.728 0.000) 2.728 15.147 ( 0.000 0.017 0.000) 0.017 15.684 ( -0.000 -9.038 0.000) 9.038 16.164 ( -0.000 -6.840 0.000) 6.840 16.799 ( -0.000 -12.202 0.000) 12.202 16.917 ( -0.000 -0.136 0.000) 0.136 17.142 ( -0.000 -0.057 0.000) 0.057 17.869 ( -0.000 -4.833 0.000) 4.833 18.621 ( -0.000 -1.457 0.000) 1.457 18.709 ( -0.000 -0.113 0.000) 0.113 19.673 ( 0.000 0.102 0.000) 0.102 19.869 ( -0.000 -11.485 0.000) 11.485 20.032 ( 0.000 9.980 0.000) 9.980 20.362 ( -0.000 -0.022 0.000) 0.022 21.059 ( -0.000 -10.275 0.000) 10.275 22.180 ( 0.000 9.908 0.000) 9.908 23.136 ( -0.000 -2.757 0.000) 2.757 ======================= Grid point 42 (30/147) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 16.384 -0.000 0.000) 16.384 2.688 ( 10.144 -0.000 0.000) 10.144 3.329 ( 3.056 -0.000 0.000) 3.056 3.352 ( -4.201 0.000 0.000) 4.201 3.591 ( -2.606 0.000 0.000) 2.606 3.701 ( 6.618 -0.000 0.000) 6.618 3.758 ( 3.592 -0.000 0.000) 3.592 4.022 ( 1.299 -0.000 0.000) 1.299 4.302 ( 8.568 -0.000 0.000) 8.568 4.721 ( 0.390 -0.000 0.000) 0.390 5.192 ( 2.636 -0.000 0.000) 2.636 5.339 ( -1.814 0.000 0.000) 1.814 5.579 ( 0.729 -0.000 0.000) 0.729 5.982 ( -1.693 0.000 0.000) 1.693 6.518 ( 0.082 -0.000 0.000) 0.082 6.564 ( 5.776 -0.000 0.000) 5.776 6.603 ( 6.206 -0.000 0.000) 6.206 6.935 ( 4.730 -0.000 0.000) 4.730 7.112 ( -4.395 0.000 0.000) 4.395 7.532 ( 5.845 -0.000 0.000) 5.845 8.012 ( -3.563 0.000 0.000) 3.563 8.214 ( 2.811 -0.000 0.000) 2.811 8.628 ( -10.272 0.000 0.000) 10.272 9.166 ( 6.090 -0.000 0.000) 6.090 9.999 ( 12.769 -0.000 0.000) 12.769 10.821 ( 2.119 -0.000 0.000) 2.119 12.150 ( -14.380 0.000 0.000) 14.380 12.449 ( 18.714 -0.000 0.000) 18.714 12.515 ( 25.321 -0.000 0.000) 25.321 13.308 ( 8.996 -0.000 0.000) 8.996 13.883 ( -21.721 0.000 0.000) 21.721 14.227 ( -5.650 0.000 0.000) 5.650 14.376 ( 0.640 -0.000 0.000) 0.640 14.462 ( -19.771 0.000 0.000) 19.771 15.057 ( 0.626 -0.000 0.000) 0.626 15.873 ( 1.402 -0.000 0.000) 1.402 15.920 ( -8.838 0.000 0.000) 8.838 16.040 ( -1.631 0.000 0.000) 1.631 18.342 ( 0.467 -0.000 0.000) 0.467 18.571 ( -3.943 0.000 0.000) 3.943 19.048 ( -1.645 0.000 0.000) 1.645 19.227 ( 0.425 -0.000 0.000) 0.425 22.185 ( 3.601 -0.000 0.000) 3.601 22.451 ( 3.669 -0.000 0.000) 3.669 23.711 ( 10.002 -0.000 0.000) 10.002 23.820 ( 10.586 -0.000 0.000) 10.586 24.011 ( 1.985 -0.000 0.000) 1.985 24.081 ( -0.886 0.000 0.000) 0.886 ======================= Grid point 43 (31/147) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 5.731 1.723 0.000) 5.984 2.844 ( 8.744 4.490 0.000) 9.829 3.239 ( -7.252 -0.740 0.000) 7.290 3.357 ( -0.519 -0.505 0.000) 0.724 3.523 ( -4.138 -0.607 0.000) 4.182 3.762 ( 1.285 3.329 0.000) 3.569 3.830 ( 1.269 -5.936 0.000) 6.070 4.022 ( -1.980 -1.283 0.000) 2.360 4.412 ( 1.748 -3.319 0.000) 3.751 4.687 ( -3.165 2.837 0.000) 4.251 5.228 ( 0.019 -2.984 0.000) 2.984 5.264 ( -4.552 3.315 0.000) 5.631 5.560 ( -2.669 -0.196 0.000) 2.676 5.965 ( -3.227 -7.201 0.000) 7.891 6.513 ( -0.568 -0.232 0.000) 0.613 6.520 ( -6.185 13.474 0.000) 14.826 6.614 ( -4.867 0.049 0.000) 4.868 6.926 ( -6.032 0.851 0.000) 6.091 7.019 ( -7.218 -10.276 0.000) 12.558 7.546 ( -2.856 4.428 0.000) 5.270 7.952 ( -1.489 5.365 0.000) 5.568 8.182 ( -6.143 -1.327 0.000) 6.284 8.466 ( -8.341 -6.853 0.000) 10.795 9.236 ( 1.588 1.710 0.000) 2.333 10.233 ( 10.078 -0.453 0.000) 10.088 10.819 ( -1.971 0.957 0.000) 2.191 11.862 ( -14.342 -1.224 0.000) 14.395 12.824 ( 19.199 -3.541 0.000) 19.523 13.009 ( 22.598 -4.735 0.000) 23.089 13.423 ( -21.262 -0.547 0.000) 21.269 13.506 ( 9.907 2.209 0.000) 10.151 14.084 ( -16.768 2.645 0.000) 16.975 14.227 ( 6.772 1.956 0.000) 7.049 14.544 ( 13.420 1.522 0.000) 13.506 15.093 ( 4.027 0.417 0.000) 4.049 15.863 ( 2.416 -0.758 0.000) 2.532 15.936 ( 5.846 1.655 0.000) 6.076 16.122 ( 10.483 0.616 0.000) 10.501 18.357 ( 0.772 -0.293 0.000) 0.826 18.442 ( -9.849 -0.309 0.000) 9.854 18.958 ( -8.132 -0.670 0.000) 8.160 19.229 ( -0.147 0.123 0.000) 0.191 22.203 ( -1.584 0.515 0.000) 1.665 22.488 ( 0.857 2.216 0.000) 2.376 23.765 ( -5.176 -0.998 0.000) 5.271 23.913 ( -11.537 0.662 0.000) 11.556 23.925 ( -0.591 -1.776 0.000) 1.872 23.991 ( -8.882 -0.255 0.000) 8.886 ======================= Grid point 44 (32/147) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( -1.592 8.024 0.000) 8.181 2.883 ( 1.211 10.074 0.000) 10.146 3.117 ( -6.407 -4.721 0.000) 7.959 3.305 ( -5.447 -0.532 0.000) 5.473 3.445 ( -5.163 -1.485 0.000) 5.373 3.728 ( -2.764 0.774 0.000) 2.870 3.875 ( -0.990 -5.526 0.000) 5.614 3.967 ( -4.929 -2.194 0.000) 5.395 4.418 ( -4.093 -4.107 0.000) 5.798 4.545 ( -8.360 6.238 0.000) 10.430 5.130 ( -6.549 3.089 0.000) 7.241 5.236 ( -2.896 -6.229 0.000) 6.870 5.490 ( -4.638 -0.175 0.000) 4.642 5.945 ( -6.896 -12.428 0.000) 14.213 6.169 ( -15.731 19.619 0.000) 25.146 6.412 ( -14.576 2.845 0.000) 14.851 6.509 ( -0.013 -0.699 0.000) 0.699 6.732 ( -13.994 -2.069 0.000) 14.146 6.950 ( -10.769 -14.122 0.000) 17.760 7.365 ( -10.499 8.746 0.000) 13.664 7.879 ( -0.891 6.012 0.000) 6.077 8.020 ( -11.959 -2.838 0.000) 12.291 8.425 ( -2.279 -9.754 0.000) 10.017 9.201 ( -3.243 2.313 0.000) 3.984 10.346 ( 2.545 3.807 0.000) 4.579 10.751 ( -3.858 0.806 0.000) 3.941 11.705 ( -2.915 -5.852 0.000) 6.538 13.109 ( -6.159 4.615 0.000) 7.696 13.214 ( 17.346 -0.945 0.000) 17.372 13.481 ( 18.362 -10.182 0.000) 20.996 13.509 ( -5.049 8.527 0.000) 9.910 13.934 ( 3.306 -2.902 0.000) 4.399 14.414 ( 12.449 3.202 0.000) 12.854 14.810 ( 14.492 1.160 0.000) 14.538 15.243 ( 13.509 1.977 0.000) 13.653 16.000 ( 10.123 -1.821 0.000) 10.285 16.074 ( 11.328 5.640 0.000) 12.654 16.410 ( 19.230 1.804 0.000) 19.314 18.192 ( -17.737 -3.598 0.000) 18.099 18.366 ( -0.289 -0.274 0.000) 0.398 18.742 ( -15.837 -2.892 0.000) 16.099 19.223 ( -0.289 0.098 0.000) 0.305 22.110 ( -7.570 1.760 0.000) 7.772 22.449 ( -2.345 4.240 0.000) 4.845 23.518 ( -21.834 -1.910 0.000) 21.917 23.574 ( -22.896 0.511 0.000) 22.901 23.737 ( -17.783 -0.010 0.000) 17.783 23.825 ( -11.738 -4.060 0.000) 12.420 ======================= Grid point 45 (33/147) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -9.593 11.367 0.000) 14.874 2.756 ( -5.512 12.599 0.000) 13.752 3.056 ( -4.471 -3.753 0.000) 5.837 3.164 ( -9.073 0.087 0.000) 9.073 3.330 ( -8.298 -2.059 0.000) 8.550 3.661 ( -4.223 -1.637 0.000) 4.529 3.871 ( -3.184 -3.258 0.000) 4.556 3.873 ( -6.284 -2.031 0.000) 6.604 4.286 ( -12.425 6.726 0.000) 14.129 4.301 ( -9.909 0.674 0.000) 9.932 4.982 ( -7.215 0.461 0.000) 7.230 5.185 ( -9.292 -8.908 0.000) 12.872 5.346 ( -11.481 6.314 0.000) 13.102 5.743 ( -10.660 14.017 0.000) 17.610 5.866 ( -12.301 -15.239 0.000) 19.584 6.050 ( -19.790 2.976 0.000) 20.013 6.442 ( -16.857 -1.605 0.000) 16.933 6.521 ( 0.111 -1.074 0.000) 1.079 6.807 ( -14.673 -15.474 0.000) 21.325 7.047 ( -13.710 11.218 0.000) 17.715 7.779 ( -15.041 -2.829 0.000) 15.305 7.837 ( -1.394 1.318 0.000) 1.918 8.529 ( 6.617 -7.972 0.000) 10.360 9.118 ( -2.463 1.620 0.000) 2.948 10.294 ( -2.033 10.150 0.000) 10.351 10.685 ( -2.892 -2.793 0.000) 4.020 11.841 ( 9.979 -9.315 0.000) 13.651 13.072 ( 6.987 8.499 0.000) 11.002 13.219 ( -1.183 19.422 0.000) 19.458 13.622 ( 14.545 0.295 0.000) 14.548 13.920 ( 20.060 -6.747 0.000) 21.164 14.148 ( 12.895 -10.070 0.000) 16.361 14.605 ( 9.732 1.577 0.000) 9.859 15.051 ( 10.779 0.126 0.000) 10.779 15.586 ( 23.066 3.811 0.000) 23.378 16.248 ( 13.282 -2.830 0.000) 13.580 16.272 ( 15.558 13.132 0.000) 20.359 16.777 ( 19.732 3.229 0.000) 19.995 17.839 ( -23.533 -12.350 0.000) 26.577 18.337 ( -3.373 -0.356 0.000) 3.392 18.398 ( -23.481 -7.226 0.000) 24.568 19.222 ( 0.338 -0.265 0.000) 0.429 21.865 ( -16.638 3.871 0.000) 17.082 22.345 ( -4.761 4.822 0.000) 6.776 22.973 ( -35.536 -2.300 0.000) 35.611 23.037 ( -33.316 -0.849 0.000) 33.327 23.316 ( -25.463 0.331 0.000) 25.465 23.567 ( -18.101 -6.928 0.000) 19.381 ======================= Grid point 46 (34/147) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -13.738 13.262 0.000) 19.095 2.482 ( -14.153 11.755 0.000) 18.398 2.980 ( -9.033 0.876 0.000) 9.075 2.982 ( -4.575 -0.116 0.000) 4.577 3.175 ( -8.816 -2.657 0.000) 9.208 3.574 ( -6.519 2.095 0.000) 6.847 3.751 ( -7.782 0.707 0.000) 7.814 3.767 ( -6.732 3.448 0.000) 7.564 4.022 ( -13.844 11.057 0.000) 17.718 4.071 ( -6.842 -4.183 0.000) 8.019 4.853 ( -6.895 -2.537 0.000) 7.347 4.907 ( -23.545 2.719 0.000) 23.702 5.010 ( -15.604 -0.333 0.000) 15.608 5.589 ( -6.625 8.191 0.000) 10.535 5.673 ( -12.481 -1.198 0.000) 12.539 5.701 ( -16.727 -16.826 0.000) 23.725 6.147 ( -13.734 -0.343 0.000) 13.738 6.452 ( -9.304 5.374 0.000) 10.744 6.666 ( -11.833 -18.383 0.000) 21.862 6.772 ( -4.400 5.958 0.000) 7.407 7.500 ( -15.341 -1.584 0.000) 15.423 7.778 ( -4.785 -0.670 0.000) 4.831 8.792 ( 14.204 -7.122 0.000) 15.889 9.131 ( 5.277 0.256 0.000) 5.283 10.121 ( -7.342 12.366 0.000) 14.382 10.699 ( 0.500 -6.191 0.000) 6.211 12.177 ( 18.307 -6.331 0.000) 19.371 13.129 ( 7.448 20.556 0.000) 21.864 13.219 ( 16.061 13.919 0.000) 21.253 13.897 ( 17.505 5.292 0.000) 18.287 14.270 ( 12.928 3.162 0.000) 13.309 14.543 ( 18.187 -13.138 0.000) 22.436 14.821 ( 13.054 -3.450 0.000) 13.502 15.214 ( 5.580 -0.157 0.000) 5.582 15.953 ( 12.954 4.922 0.000) 13.857 16.425 ( 12.401 16.450 0.000) 20.601 16.531 ( 13.166 -3.915 0.000) 13.735 17.085 ( 15.095 4.991 0.000) 15.899 17.600 ( -10.724 -21.762 0.000) 24.261 17.995 ( -23.625 -13.614 0.000) 27.267 18.226 ( -9.397 -1.952 0.000) 9.597 19.246 ( 1.940 -0.620 0.000) 2.036 21.392 ( -29.779 4.169 0.000) 30.070 22.182 ( -10.789 3.655 0.000) 11.391 22.235 ( -42.297 -3.940 0.000) 42.480 22.325 ( -41.048 -1.083 0.000) 41.062 22.802 ( -25.550 0.320 0.000) 25.552 23.286 ( -15.694 -7.966 0.000) 17.600 ======================= Grid point 47 (35/147) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -15.674 16.513 0.000) 22.767 2.019 ( -26.584 9.008 0.000) 28.069 2.836 ( -4.697 0.511 0.000) 4.725 2.892 ( -3.553 2.875 0.000) 4.571 3.057 ( -4.958 -1.527 0.000) 5.188 3.352 ( -8.511 11.805 0.000) 14.553 3.464 ( -10.540 30.731 0.000) 32.488 3.675 ( -2.676 -1.680 0.000) 3.160 3.754 ( -8.089 -2.298 0.000) 8.409 4.036 ( -3.247 -7.939 0.000) 8.577 4.445 ( -23.482 -2.714 0.000) 23.639 4.675 ( -18.994 -1.729 0.000) 19.073 4.766 ( -5.077 -5.741 0.000) 7.664 5.250 ( -15.916 5.197 0.000) 16.743 5.503 ( -16.685 -19.042 0.000) 25.318 5.641 ( 1.949 2.596 0.000) 3.246 5.936 ( -8.512 -0.015 0.000) 8.512 6.132 ( -13.731 12.376 0.000) 18.485 6.644 ( -5.640 -20.933 0.000) 21.680 6.759 ( 2.412 0.454 0.000) 2.454 7.234 ( -12.539 -0.016 0.000) 12.539 7.671 ( -6.037 0.145 0.000) 6.039 9.128 ( 13.789 -7.268 0.000) 15.587 9.319 ( 13.450 -1.198 0.000) 13.504 9.850 ( -11.069 10.601 0.000) 15.327 10.763 ( 1.282 -4.504 0.000) 4.683 12.597 ( 22.506 5.349 0.000) 23.133 13.195 ( 11.684 8.418 0.000) 14.400 13.449 ( 20.264 20.759 0.000) 29.010 14.236 ( 21.897 6.581 0.000) 22.864 14.383 ( 4.847 7.407 0.000) 8.852 14.998 ( 19.610 -9.469 0.000) 21.776 15.044 ( -2.140 -6.534 0.000) 6.875 15.214 ( -3.764 2.026 0.000) 4.275 15.914 ( -7.482 -5.511 0.000) 9.293 16.585 ( 7.461 6.174 0.000) 9.685 16.793 ( 10.320 -4.928 0.000) 11.436 17.263 ( 7.042 7.244 0.000) 10.103 17.640 ( -2.412 -22.104 0.000) 22.235 18.003 ( 20.222 -6.919 0.000) 21.372 18.009 ( -15.283 -6.446 0.000) 16.587 19.311 ( 4.961 0.117 0.000) 4.963 20.689 ( -40.446 0.109 0.000) 40.446 21.466 ( -40.596 0.095 0.000) 40.596 21.531 ( -40.165 -6.290 0.000) 40.655 21.757 ( -32.891 0.309 0.000) 32.893 22.459 ( -8.963 1.564 0.000) 9.099 23.113 ( -7.415 -5.752 0.000) 9.384 ======================= Grid point 48 (36/147) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -33.861 9.875 0.000) 35.272 1.528 ( -12.616 21.172 0.000) 24.646 2.804 ( 1.241 0.255 0.000) 1.267 2.811 ( -1.850 4.475 0.000) 4.842 2.977 ( -2.312 21.785 0.000) 21.908 3.036 ( -4.427 26.871 0.000) 27.233 3.143 ( -3.401 13.217 0.000) 13.648 3.655 ( -1.342 -2.945 0.000) 3.236 3.696 ( -2.271 -7.483 0.000) 7.821 4.035 ( -2.437 -6.331 0.000) 6.784 4.076 ( -18.444 -9.773 0.000) 20.873 4.370 ( -13.493 -4.208 0.000) 14.134 4.746 ( -2.335 -7.553 0.000) 7.906 4.964 ( -8.607 7.089 0.000) 11.150 5.390 ( -9.965 -22.425 0.000) 24.539 5.661 ( 2.860 5.786 0.000) 6.454 5.810 ( -8.871 13.710 0.000) 16.330 5.813 ( -5.056 -1.933 0.000) 5.413 6.743 ( -0.773 -20.903 0.000) 20.917 6.811 ( 3.149 0.740 0.000) 3.235 7.030 ( -8.080 1.482 0.000) 8.215 7.561 ( -4.468 1.529 0.000) 4.722 9.390 ( 7.957 -6.425 0.000) 10.227 9.583 ( -8.083 9.285 0.000) 12.310 9.604 ( 12.257 -3.040 0.000) 12.628 10.799 ( 0.457 -0.720 0.000) 0.853 12.817 ( 9.872 20.149 0.000) 22.437 13.509 ( 17.331 -10.418 0.000) 20.221 13.646 ( 17.582 24.956 0.000) 30.527 14.376 ( -6.918 0.713 0.000) 6.955 14.597 ( 18.796 4.919 0.000) 19.429 14.693 ( -23.250 -8.119 0.000) 24.627 15.192 ( -1.241 3.690 0.000) 3.893 15.388 ( 14.397 -4.419 0.000) 15.060 15.944 ( 1.522 -10.323 0.000) 10.435 16.544 ( -9.010 -12.808 0.000) 15.660 16.973 ( 3.279 -4.388 0.000) 5.478 17.179 ( -10.511 3.044 0.000) 10.943 17.844 ( -4.590 -4.721 0.000) 6.585 18.046 ( 28.889 -10.301 0.000) 30.670 18.573 ( 32.129 7.342 0.000) 32.957 19.457 ( 11.787 1.615 0.000) 11.897 19.933 ( -36.877 -8.403 0.000) 37.822 20.666 ( -38.893 0.949 0.000) 38.905 20.999 ( -44.307 -1.417 0.000) 44.330 21.019 ( -19.308 -8.097 0.000) 20.937 22.349 ( -2.387 3.082 0.000) 3.898 23.075 ( -0.786 -3.190 0.000) 3.285 ======================= Grid point 49 (37/147) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 0.000 16.065 0.000) 16.065 1.218 ( 0.000 25.023 0.000) 25.023 2.581 ( 0.000 55.111 0.000) 55.111 2.760 ( 0.000 4.384 0.000) 4.384 2.826 ( 0.000 1.372 0.000) 1.372 2.984 ( -0.000 -2.717 0.000) 2.717 3.016 ( 0.000 13.072 0.000) 13.072 3.666 ( -0.000 -3.119 0.000) 3.119 3.721 ( -0.000 -1.203 0.000) 1.203 3.985 ( -0.000 -18.977 0.000) 18.977 4.050 ( -0.000 -5.192 0.000) 5.192 4.268 ( -0.000 -5.025 0.000) 5.025 4.779 ( -0.000 -7.529 0.000) 7.529 4.826 ( 0.000 7.944 0.000) 7.944 5.468 ( -0.000 -23.835 0.000) 23.835 5.621 ( 0.000 12.805 0.000) 12.805 5.633 ( 0.000 10.344 0.000) 10.344 5.791 ( -0.000 -5.585 0.000) 5.585 6.853 ( 0.000 2.194 0.000) 2.194 6.891 ( -0.000 -18.866 0.000) 18.866 6.915 ( 0.000 2.802 0.000) 2.802 7.496 ( 0.000 2.628 0.000) 2.628 9.435 ( 0.000 8.612 0.000) 8.612 9.516 ( -0.000 -6.334 0.000) 6.334 9.758 ( -0.000 -3.399 0.000) 3.399 10.796 ( 0.000 1.981 0.000) 1.981 12.751 ( 0.000 21.041 0.000) 21.041 13.797 ( -0.000 -12.870 0.000) 12.870 13.899 ( -0.000 -0.211 0.000) 0.211 13.917 ( 0.000 17.322 0.000) 17.322 14.594 ( 0.000 1.943 0.000) 1.943 14.784 ( 0.000 3.381 0.000) 3.381 15.147 ( 0.000 0.020 0.000) 0.020 15.572 ( -0.000 -5.128 0.000) 5.128 16.039 ( -0.000 -9.886 0.000) 9.886 16.570 ( -0.000 -18.413 0.000) 18.413 16.914 ( -0.000 -0.164 0.000) 0.164 17.114 ( -0.000 -3.637 0.000) 3.637 17.830 ( -0.000 -0.459 0.000) 0.459 18.630 ( 0.000 3.074 0.000) 3.074 18.707 ( -0.000 -0.136 0.000) 0.136 19.675 ( 0.000 0.122 0.000) 0.122 19.715 ( -0.000 -9.257 0.000) 9.257 20.147 ( 0.000 4.675 0.000) 4.675 20.362 ( -0.000 -0.027 0.000) 0.027 20.904 ( -0.000 -9.890 0.000) 9.890 22.296 ( 0.000 5.419 0.000) 5.419 23.095 ( -0.000 -2.606 0.000) 2.606 ======================= Grid point 56 (38/147) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 2.942 -0.000 0.000) 2.942 2.965 ( 1.653 -0.000 0.000) 1.653 3.065 ( -10.099 0.000 0.000) 10.099 3.301 ( -5.237 0.000 0.000) 5.237 3.432 ( -5.322 0.000 0.000) 5.322 3.737 ( -4.688 0.000 0.000) 4.688 3.828 ( 0.698 -0.000 0.000) 0.698 3.945 ( -5.041 0.000 0.000) 5.041 4.386 ( -3.005 0.000 0.000) 3.005 4.594 ( -7.949 0.000 0.000) 7.949 5.161 ( -7.312 0.000 0.000) 7.312 5.190 ( -2.993 0.000 0.000) 2.993 5.488 ( -4.188 0.000 0.000) 4.188 5.843 ( -6.944 0.000 0.000) 6.944 6.369 ( -16.617 0.000 0.000) 16.617 6.411 ( -14.339 0.000 0.000) 14.339 6.504 ( -0.077 0.000 0.000) 0.077 6.728 ( -14.149 0.000 0.000) 14.149 6.802 ( -10.772 0.000 0.000) 10.772 7.434 ( -10.302 0.000 0.000) 10.302 7.936 ( -2.791 0.000 0.000) 2.791 7.995 ( -12.130 0.000 0.000) 12.130 8.340 ( -0.788 0.000 0.000) 0.788 9.219 ( -3.675 0.000 0.000) 3.675 10.374 ( 4.321 -0.000 0.000) 4.321 10.758 ( -4.509 0.000 0.000) 4.509 11.660 ( -4.029 0.000 0.000) 4.029 13.145 ( -6.600 0.000 0.000) 6.600 13.199 ( 20.776 -0.000 0.000) 20.776 13.400 ( 20.745 -0.000 0.000) 20.745 13.577 ( -5.682 0.000 0.000) 5.682 13.916 ( 1.366 -0.000 0.000) 1.366 14.439 ( 12.088 -0.000 0.000) 12.088 14.817 ( 13.626 -0.000 0.000) 13.626 15.258 ( 14.028 -0.000 0.000) 14.028 15.986 ( 10.003 -0.000 0.000) 10.003 16.119 ( 12.824 -0.000 0.000) 12.824 16.424 ( 19.427 -0.000 0.000) 19.427 18.164 ( -19.354 0.000 0.000) 19.354 18.364 ( -0.219 0.000 0.000) 0.219 18.720 ( -16.582 0.000 0.000) 16.582 19.224 ( -0.382 0.000 0.000) 0.382 22.124 ( -7.101 0.000 0.000) 7.101 22.483 ( -2.325 0.000 0.000) 2.325 23.502 ( -21.876 0.000 0.000) 21.876 23.580 ( -23.182 0.000 0.000) 23.182 23.736 ( -17.680 0.000 0.000) 17.680 23.792 ( -12.263 0.000 0.000) 12.263 ======================= Grid point 58 (39/147) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( -10.396 8.237 0.000) 13.264 2.895 ( -7.032 5.344 0.000) 8.832 2.987 ( -1.538 -5.061 0.000) 5.289 3.165 ( -8.320 0.170 0.000) 8.322 3.305 ( -8.635 -1.123 0.000) 8.707 3.634 ( -5.617 -1.389 0.000) 5.786 3.829 ( -1.472 -1.693 0.000) 2.244 3.845 ( -5.706 -1.329 0.000) 5.859 4.297 ( -6.667 -0.527 0.000) 6.688 4.374 ( -13.281 3.735 0.000) 13.796 5.000 ( -8.365 1.309 0.000) 8.467 5.091 ( -9.231 -3.341 0.000) 9.817 5.408 ( -4.644 2.017 0.000) 5.063 5.688 ( -12.185 -7.209 0.000) 14.158 5.954 ( -18.505 11.249 0.000) 21.656 6.083 ( -19.138 1.000 0.000) 19.164 6.429 ( -16.041 0.500 0.000) 16.049 6.513 ( 0.875 -0.187 0.000) 0.895 6.587 ( -16.187 -11.909 0.000) 20.096 7.170 ( -14.700 4.685 0.000) 15.429 7.741 ( -14.690 -1.774 0.000) 14.796 7.862 ( -3.731 1.370 0.000) 3.975 8.438 ( 8.884 -3.611 0.000) 9.589 9.135 ( -3.315 0.620 0.000) 3.372 10.410 ( 1.640 4.802 0.000) 5.074 10.648 ( -7.228 -1.825 0.000) 7.455 11.742 ( 10.620 -3.663 0.000) 11.234 13.154 ( 7.732 2.701 0.000) 8.190 13.429 ( -1.802 8.353 0.000) 8.546 13.605 ( 18.601 -1.967 0.000) 18.704 13.839 ( 23.519 -3.262 0.000) 23.744 14.055 ( 10.966 -2.820 0.000) 11.323 14.632 ( 8.837 1.323 0.000) 8.935 15.050 ( 10.465 -0.119 0.000) 10.466 15.625 ( 23.318 1.409 0.000) 23.361 16.218 ( 13.073 -1.114 0.000) 13.121 16.425 ( 20.699 6.128 0.000) 21.587 16.811 ( 20.114 1.181 0.000) 20.148 17.701 ( -30.094 -5.392 0.000) 30.573 18.323 ( -25.535 -2.692 0.000) 25.677 18.333 ( -3.551 -0.147 0.000) 3.554 19.219 ( -0.026 -0.152 0.000) 0.154 21.909 ( -15.666 1.733 0.000) 15.761 22.400 ( -5.440 2.131 0.000) 5.842 22.940 ( -36.517 -1.422 0.000) 36.545 23.038 ( -32.972 0.243 0.000) 32.972 23.317 ( -25.724 -0.068 0.000) 25.724 23.491 ( -18.747 -2.942 0.000) 18.976 ======================= Grid point 59 (40/147) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -13.390 9.547 0.000) 16.445 2.617 ( -17.464 6.464 0.000) 18.622 2.974 ( -2.088 -0.916 0.000) 2.280 2.999 ( -7.944 1.709 0.000) 8.126 3.132 ( -9.744 -2.970 0.000) 10.187 3.564 ( -3.112 -2.189 0.000) 3.805 3.740 ( -6.500 -1.069 0.000) 6.588 3.786 ( -4.833 -0.827 0.000) 4.904 4.076 ( -12.592 3.524 0.000) 13.076 4.135 ( -8.610 4.174 0.000) 9.568 4.836 ( -7.960 0.085 0.000) 7.960 4.856 ( -19.572 -4.799 0.000) 20.151 5.165 ( -14.465 14.802 0.000) 20.696 5.478 ( -17.059 -12.276 0.000) 21.017 5.633 ( -15.293 -3.947 0.000) 15.795 5.730 ( -7.841 10.561 0.000) 13.153 6.142 ( -13.005 -0.364 0.000) 13.010 6.386 ( -15.245 -18.401 0.000) 23.896 6.515 ( -1.496 3.028 0.000) 3.378 6.852 ( -12.409 4.431 0.000) 13.176 7.471 ( -14.574 -1.956 0.000) 14.705 7.777 ( -4.674 0.298 0.000) 4.683 8.704 ( 14.891 -4.412 0.000) 15.531 9.135 ( 4.439 0.195 0.000) 4.444 10.298 ( -8.246 11.359 0.000) 14.036 10.599 ( -0.003 -7.361 0.000) 7.361 12.084 ( 20.861 -5.137 0.000) 21.484 13.365 ( 16.805 6.179 0.000) 17.905 13.380 ( 4.048 12.261 0.000) 12.912 13.954 ( 18.492 2.335 0.000) 18.639 14.285 ( 18.508 -0.788 0.000) 18.525 14.400 ( 21.290 -6.122 0.000) 22.153 14.806 ( 11.526 0.853 0.000) 11.557 15.215 ( 6.519 0.286 0.000) 6.525 16.013 ( 11.864 3.066 0.000) 12.254 16.483 ( 12.799 -2.386 0.000) 13.019 16.684 ( 8.679 18.380 0.000) 20.326 17.146 ( 16.127 3.002 0.000) 16.404 17.286 ( -11.694 -20.714 0.000) 23.787 17.831 ( -25.767 -8.090 0.000) 27.008 18.205 ( -10.912 -0.964 0.000) 10.954 19.233 ( 1.329 -0.916 0.000) 1.614 21.454 ( -30.452 3.641 0.000) 30.669 22.176 ( -42.998 -3.198 0.000) 43.117 22.230 ( -12.266 2.516 0.000) 12.521 22.325 ( -40.830 0.276 0.000) 40.831 22.795 ( -26.598 -0.970 0.000) 26.616 23.191 ( -13.901 -4.658 0.000) 14.660 ======================= Grid point 60 (41/147) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -28.506 5.863 0.000) 29.102 2.169 ( -14.108 12.731 0.000) 19.003 2.855 ( -4.759 2.136 0.000) 5.216 2.930 ( -1.805 2.169 0.000) 2.822 3.021 ( -3.950 -3.287 0.000) 5.139 3.502 ( -3.858 7.412 0.000) 8.356 3.609 ( -8.280 -2.725 0.000) 8.717 3.654 ( -5.693 -0.736 0.000) 5.740 3.927 ( -4.707 15.616 0.000) 16.310 3.932 ( -3.847 -5.375 0.000) 6.609 4.424 ( -25.734 -1.442 0.000) 25.774 4.704 ( -6.346 -2.509 0.000) 6.824 4.746 ( -17.185 13.988 0.000) 22.158 5.236 ( -18.424 -16.483 0.000) 24.722 5.309 ( -15.393 2.022 0.000) 15.525 5.666 ( 0.686 1.670 0.000) 1.806 5.949 ( -6.991 1.333 0.000) 7.117 6.311 ( -8.491 -23.733 0.000) 25.206 6.321 ( -10.582 12.992 0.000) 16.756 6.739 ( -0.538 -3.413 0.000) 3.455 7.226 ( -11.727 -0.868 0.000) 11.759 7.678 ( -5.119 0.562 0.000) 5.150 9.033 ( 14.560 -5.305 0.000) 15.496 9.304 ( 12.306 -0.797 0.000) 12.332 10.002 ( -12.745 9.514 0.000) 15.904 10.690 ( 3.306 -5.025 0.000) 6.015 12.583 ( 26.109 -4.278 0.000) 26.457 13.373 ( 4.493 12.349 0.000) 13.141 13.680 ( 21.925 10.765 0.000) 24.425 14.302 ( 19.368 2.165 0.000) 19.489 14.496 ( 6.792 6.577 0.000) 9.455 14.911 ( 26.907 -2.339 0.000) 27.009 14.965 ( -7.235 -2.448 0.000) 7.638 15.264 ( 1.366 4.031 0.000) 4.257 15.811 ( -18.377 -8.143 0.000) 20.100 16.675 ( -8.265 5.926 0.000) 10.169 16.728 ( 10.045 -3.701 0.000) 10.706 17.346 ( 7.071 -17.241 0.000) 18.634 17.370 ( 9.483 6.878 0.000) 11.715 17.925 ( -18.894 -5.111 0.000) 19.573 17.928 ( 31.164 -3.394 0.000) 31.348 19.295 ( 4.456 -1.893 0.000) 4.842 20.712 ( -43.129 2.354 0.000) 43.194 21.427 ( -35.622 -3.884 0.000) 35.833 21.492 ( -45.175 -0.419 0.000) 45.177 21.767 ( -34.808 0.914 0.000) 34.820 22.455 ( -9.533 -1.605 0.000) 9.668 23.048 ( -4.304 -3.072 0.000) 5.288 ======================= Grid point 61 (42/147) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -31.016 7.983 0.000) 32.027 1.814 ( -10.471 17.176 0.000) 20.116 2.813 ( 1.582 1.075 0.000) 1.913 2.878 ( -1.024 4.379 0.000) 4.497 2.998 ( -1.331 0.093 0.000) 1.334 3.340 ( -2.797 12.955 0.000) 13.253 3.507 ( -3.235 -3.042 0.000) 4.440 3.614 ( -1.429 -2.215 0.000) 2.636 3.732 ( 1.750 31.171 0.000) 31.220 3.937 ( -1.449 -6.753 0.000) 6.907 3.976 ( -21.084 -4.060 0.000) 21.471 4.343 ( -16.044 2.978 0.000) 16.318 4.646 ( -2.668 -5.674 0.000) 6.270 5.057 ( -7.766 5.327 0.000) 9.417 5.063 ( -12.667 -21.426 0.000) 24.890 5.678 ( 0.333 -2.025 0.000) 2.052 5.841 ( -2.539 4.427 0.000) 5.104 6.029 ( -7.520 15.642 0.000) 17.355 6.397 ( -2.277 -25.745 0.000) 25.845 6.788 ( 1.786 -4.078 0.000) 4.452 7.044 ( -7.121 0.665 0.000) 7.152 7.584 ( -3.555 1.485 0.000) 3.853 9.301 ( 8.550 -5.382 0.000) 10.103 9.563 ( 11.452 -2.447 0.000) 11.711 9.720 ( -8.580 8.936 0.000) 12.388 10.772 ( 1.933 -2.688 0.000) 3.311 13.027 ( 15.262 5.944 0.000) 16.379 13.420 ( 8.441 0.452 0.000) 8.453 13.972 ( 14.163 18.951 0.000) 23.659 14.385 ( -20.815 -0.379 0.000) 20.818 14.615 ( -4.875 -1.745 0.000) 5.178 14.642 ( 16.323 1.090 0.000) 16.359 15.257 ( -3.238 5.034 0.000) 5.985 15.375 ( 19.263 2.517 0.000) 19.427 15.783 ( 1.235 -11.122 0.000) 11.190 16.329 ( -20.601 -15.571 0.000) 25.823 16.907 ( 4.878 -4.313 0.000) 6.511 17.228 ( -18.438 3.507 0.000) 18.768 17.791 ( 2.890 -2.753 0.000) 3.991 17.937 ( 38.333 -4.738 0.000) 38.625 18.669 ( 40.200 5.486 0.000) 40.573 19.453 ( 11.341 -1.759 0.000) 11.476 19.850 ( -43.095 -3.294 0.000) 43.220 20.654 ( -40.935 -2.143 0.000) 40.991 20.933 ( -18.144 -3.736 0.000) 18.525 20.987 ( -43.854 -0.341 0.000) 43.855 22.359 ( -2.941 -1.159 0.000) 3.161 23.041 ( 0.785 -1.484 0.000) 1.679 ======================= Grid point 62 (43/147) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.000 12.920 0.000) 12.920 1.561 ( 0.000 21.150 0.000) 21.150 2.831 ( 0.000 5.089 0.000) 5.089 2.847 ( 0.000 1.353 0.000) 1.353 2.961 ( -0.000 -0.016 0.000) 0.016 3.217 ( 0.000 13.906 0.000) 13.906 3.351 ( 0.000 45.765 0.000) 45.765 3.617 ( -0.000 -2.966 0.000) 2.966 3.705 ( -0.000 -0.974 0.000) 0.974 3.728 ( -0.000 -12.486 0.000) 12.486 3.966 ( -0.000 -5.966 0.000) 5.966 4.190 ( -0.000 -5.335 0.000) 5.335 4.671 ( -0.000 -6.800 0.000) 6.800 4.937 ( 0.000 6.924 0.000) 6.924 5.110 ( -0.000 -24.513 0.000) 24.513 5.712 ( -0.000 -5.028 0.000) 5.028 5.769 ( 0.000 8.025 0.000) 8.025 5.835 ( 0.000 15.881 0.000) 15.881 6.569 ( -0.000 -24.688 0.000) 24.688 6.844 ( -0.000 -3.311 0.000) 3.311 6.954 ( 0.000 2.442 0.000) 2.442 7.533 ( 0.000 2.283 0.000) 2.283 9.425 ( -0.000 -5.719 0.000) 5.719 9.568 ( 0.000 9.114 0.000) 9.114 9.707 ( -0.000 -3.362 0.000) 3.362 10.802 ( -0.000 -0.963 0.000) 0.963 13.047 ( 0.000 17.680 0.000) 17.680 13.607 ( -0.000 -11.855 0.000) 11.855 13.896 ( -0.000 -0.200 0.000) 0.200 14.185 ( 0.000 18.664 0.000) 18.664 14.635 ( 0.000 3.544 0.000) 3.544 14.821 ( 0.000 1.421 0.000) 1.421 15.148 ( 0.000 0.019 0.000) 0.019 15.550 ( 0.000 2.157 0.000) 2.157 15.881 ( -0.000 -11.183 0.000) 11.183 16.273 ( -0.000 -21.144 0.000) 21.144 16.912 ( -0.000 -0.153 0.000) 0.153 17.047 ( -0.000 -5.006 0.000) 5.006 17.845 ( 0.000 2.036 0.000) 2.036 18.705 ( -0.000 -0.128 0.000) 0.128 18.711 ( 0.000 7.495 0.000) 7.495 19.594 ( -0.000 -7.344 0.000) 7.344 19.676 ( 0.000 0.114 0.000) 0.114 20.155 ( -0.000 -3.460 0.000) 3.460 20.361 ( -0.000 -0.025 0.000) 0.025 20.791 ( -0.000 -5.054 0.000) 5.054 22.337 ( 0.000 0.280 0.000) 0.280 23.064 ( -0.000 -1.451 0.000) 1.451 ======================= Grid point 71 (44/147) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -14.059 0.000 0.000) 14.059 2.666 ( -18.868 0.000 0.000) 18.868 2.964 ( -0.367 0.000 0.000) 0.367 3.018 ( -6.578 0.000 0.000) 6.578 3.104 ( -11.100 0.000 0.000) 11.100 3.542 ( -2.454 0.000 0.000) 2.454 3.731 ( -6.393 0.000 0.000) 6.393 3.775 ( -3.942 0.000 0.000) 3.942 4.112 ( -14.327 0.000 0.000) 14.327 4.163 ( -6.781 0.000 0.000) 6.781 4.817 ( -18.435 0.000 0.000) 18.435 4.841 ( -8.408 0.000 0.000) 8.408 5.305 ( -7.809 0.000 0.000) 7.809 5.379 ( -17.089 0.000 0.000) 17.089 5.586 ( -21.438 0.000 0.000) 21.438 5.845 ( -6.625 0.000 0.000) 6.625 6.132 ( -14.884 0.000 0.000) 14.884 6.214 ( -16.106 0.000 0.000) 16.106 6.538 ( 1.524 -0.000 0.000) 1.524 6.887 ( -15.798 0.000 0.000) 15.798 7.454 ( -14.061 0.000 0.000) 14.061 7.780 ( -4.864 0.000 0.000) 4.864 8.670 ( 15.320 -0.000 0.000) 15.320 9.136 ( 4.116 -0.000 0.000) 4.116 10.422 ( -14.233 0.000 0.000) 14.233 10.506 ( 5.384 -0.000 0.000) 5.384 12.044 ( 21.564 -0.000 0.000) 21.564 13.409 ( 16.944 -0.000 0.000) 16.944 13.472 ( 2.772 -0.000 0.000) 2.772 13.969 ( 18.597 -0.000 0.000) 18.597 14.274 ( 20.521 -0.000 0.000) 20.521 14.357 ( 23.019 -0.000 0.000) 23.019 14.818 ( 11.150 -0.000 0.000) 11.150 15.218 ( 7.237 -0.000 0.000) 7.237 16.037 ( 11.380 -0.000 0.000) 11.380 16.465 ( 12.679 -0.000 0.000) 12.679 16.918 ( 23.412 -0.000 0.000) 23.412 17.035 ( -28.368 0.000 0.000) 28.368 17.169 ( 16.596 -0.000 0.000) 16.596 17.769 ( -26.578 0.000 0.000) 26.578 18.198 ( -11.467 0.000 0.000) 11.467 19.225 ( 0.978 -0.000 0.000) 0.978 21.483 ( -30.673 0.000 0.000) 30.673 22.152 ( -43.035 0.000 0.000) 43.035 22.249 ( -12.889 0.000 0.000) 12.889 22.327 ( -40.943 0.000 0.000) 40.943 22.785 ( -27.253 0.000 0.000) 27.253 23.156 ( -12.873 0.000 0.000) 12.873 ======================= Grid point 73 (45/147) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -29.262 2.115 0.000) 29.338 2.305 ( -13.819 5.003 0.000) 14.697 2.898 ( -5.300 3.490 0.000) 6.346 2.953 ( -0.503 0.856 0.000) 0.992 2.965 ( -2.736 -4.056 0.000) 4.893 3.554 ( 3.236 0.663 0.000) 3.303 3.573 ( -10.631 -1.381 0.000) 10.720 3.655 ( -8.477 0.218 0.000) 8.480 3.894 ( -6.893 -0.268 0.000) 6.898 4.054 ( -2.827 3.252 0.000) 4.309 4.396 ( -24.816 -1.464 0.000) 24.859 4.689 ( -7.124 0.048 0.000) 7.124 5.041 ( -12.691 21.359 0.000) 24.845 5.047 ( -19.778 -7.618 0.000) 21.194 5.273 ( -13.439 -8.350 0.000) 15.822 5.725 ( -3.745 7.133 0.000) 8.056 5.953 ( -5.314 -6.581 0.000) 8.458 5.992 ( -11.482 -11.664 0.000) 16.367 6.503 ( -5.847 11.239 0.000) 12.669 6.656 ( -5.715 -7.738 0.000) 9.620 7.215 ( -10.798 -0.416 0.000) 10.806 7.684 ( -4.807 0.255 0.000) 4.813 8.979 ( 15.050 -1.942 0.000) 15.175 9.296 ( 11.695 -0.284 0.000) 11.698 10.111 ( -14.873 4.347 0.000) 15.496 10.629 ( 5.353 -2.654 0.000) 5.975 12.527 ( 26.526 -2.303 0.000) 26.626 13.504 ( 2.160 4.729 0.000) 5.199 13.779 ( 22.566 3.140 0.000) 22.783 14.312 ( 17.476 -0.139 0.000) 17.477 14.549 ( 8.792 1.058 0.000) 8.855 14.907 ( 31.696 0.601 0.000) 31.702 14.975 ( -5.776 2.029 0.000) 6.122 15.319 ( 3.694 2.741 0.000) 4.600 15.700 ( -27.893 -5.350 0.000) 28.402 16.689 ( 9.884 -1.401 0.000) 9.983 16.751 ( -30.614 3.650 0.000) 30.831 17.153 ( 25.581 -7.797 0.000) 26.743 17.450 ( 13.719 3.339 0.000) 14.119 17.865 ( -23.686 -2.507 0.000) 23.819 17.898 ( 36.925 -0.950 0.000) 36.937 19.270 ( 3.848 -1.061 0.000) 3.992 20.742 ( -44.677 1.290 0.000) 44.695 21.387 ( -34.831 -1.364 0.000) 34.858 21.488 ( -45.834 -0.159 0.000) 45.834 21.778 ( -36.004 0.421 0.000) 36.007 22.430 ( -9.758 -1.189 0.000) 9.830 23.020 ( -2.451 -0.868 0.000) 2.601 ======================= Grid point 74 (46/147) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -29.208 4.522 0.000) 29.556 2.018 ( -9.520 9.922 0.000) 13.751 2.835 ( 1.038 1.671 0.000) 1.968 2.933 ( -0.112 2.916 0.000) 2.918 2.999 ( 2.512 -0.010 0.000) 2.512 3.393 ( -8.608 -7.102 0.000) 11.160 3.482 ( -5.214 4.179 0.000) 6.682 3.625 ( 3.608 5.150 0.000) 6.288 3.847 ( -1.004 -5.016 0.000) 5.115 3.938 ( -19.908 -0.873 0.000) 19.927 4.031 ( 1.902 5.290 0.000) 5.622 4.585 ( -3.882 -2.405 0.000) 4.567 4.588 ( -14.072 28.381 0.000) 31.678 4.779 ( -15.618 -15.992 0.000) 22.353 5.111 ( -6.396 1.504 0.000) 6.571 5.649 ( -2.024 -1.164 0.000) 2.334 5.896 ( -1.438 1.377 0.000) 1.991 6.008 ( -3.579 -24.530 0.000) 24.790 6.257 ( -6.482 14.764 0.000) 16.124 6.692 ( 0.206 -8.595 0.000) 8.598 7.053 ( -5.981 0.486 0.000) 6.000 7.602 ( -3.127 0.853 0.000) 3.241 9.237 ( 9.195 -3.026 0.000) 9.680 9.534 ( 10.682 -1.400 0.000) 10.773 9.833 ( -9.262 5.850 0.000) 10.955 10.731 ( 3.035 -2.459 0.000) 3.907 13.018 ( 19.641 -3.564 0.000) 19.962 13.495 ( 1.617 6.186 0.000) 6.394 14.190 ( 15.375 10.336 0.000) 18.526 14.358 ( -29.326 -2.632 0.000) 29.444 14.641 ( 15.696 -0.685 0.000) 15.711 14.642 ( 3.870 4.185 0.000) 5.700 15.329 ( -3.905 4.040 0.000) 5.619 15.434 ( 22.120 4.222 0.000) 22.519 15.640 ( 3.540 -7.137 0.000) 7.967 16.114 ( -30.069 -12.361 0.000) 32.511 16.854 ( 5.417 -2.679 0.000) 6.044 17.276 ( -26.016 2.687 0.000) 26.154 17.758 ( 10.241 -1.680 0.000) 10.378 17.894 ( 43.717 -1.522 0.000) 43.744 18.731 ( 45.564 2.843 0.000) 45.653 19.420 ( 11.576 -2.221 0.000) 11.788 19.823 ( -48.443 -0.711 0.000) 48.448 20.622 ( -43.110 -1.750 0.000) 43.145 20.898 ( -16.993 -1.405 0.000) 17.051 20.985 ( -43.957 -0.061 0.000) 43.957 22.332 ( -3.095 -1.959 0.000) 3.663 23.028 ( 1.570 -0.425 0.000) 1.627 ======================= Grid point 75 (47/147) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.000 8.512 0.000) 8.512 1.828 ( 0.000 14.665 0.000) 14.665 2.864 ( 0.000 0.982 0.000) 0.982 2.904 ( 0.000 4.505 0.000) 4.505 2.985 ( 0.000 3.470 0.000) 3.470 3.394 ( 0.000 7.795 0.000) 7.795 3.429 ( -0.000 -14.128 0.000) 14.128 3.613 ( 0.000 4.600 0.000) 4.600 3.694 ( -0.000 -0.461 0.000) 0.461 3.881 ( -0.000 -5.250 0.000) 5.250 4.116 ( 0.000 43.581 0.000) 43.581 4.117 ( -0.000 -4.305 0.000) 4.305 4.586 ( -0.000 -4.613 0.000) 4.613 4.757 ( -0.000 -22.730 0.000) 22.730 5.024 ( 0.000 4.627 0.000) 4.627 5.648 ( -0.000 -3.441 0.000) 3.441 5.865 ( 0.000 4.689 0.000) 4.689 6.076 ( 0.000 16.359 0.000) 16.359 6.174 ( -0.000 -28.089 0.000) 28.089 6.759 ( -0.000 -7.930 0.000) 7.930 6.985 ( 0.000 1.633 0.000) 1.633 7.561 ( 0.000 1.524 0.000) 1.524 9.353 ( -0.000 -3.868 0.000) 3.868 9.662 ( -0.000 -2.554 0.000) 2.554 9.693 ( 0.000 7.373 0.000) 7.373 10.776 ( -0.000 -2.167 0.000) 2.167 13.216 ( 0.000 3.344 0.000) 3.344 13.500 ( -0.000 -0.732 0.000) 0.732 13.893 ( -0.000 -0.142 0.000) 0.142 14.451 ( 0.000 16.795 0.000) 16.795 14.692 ( 0.000 3.884 0.000) 3.884 14.827 ( -0.000 -0.242 0.000) 0.242 15.148 ( 0.000 0.014 0.000) 0.014 15.617 ( 0.000 5.785 0.000) 5.785 15.727 ( -0.000 -8.932 0.000) 8.932 15.970 ( -0.000 -19.255 0.000) 19.255 16.910 ( -0.000 -0.108 0.000) 0.108 16.978 ( -0.000 -3.984 0.000) 3.984 17.878 ( 0.000 2.096 0.000) 2.096 18.704 ( -0.000 -0.091 0.000) 0.091 18.834 ( 0.000 8.527 0.000) 8.527 19.495 ( -0.000 -6.052 0.000) 6.052 19.678 ( 0.000 0.080 0.000) 0.080 20.073 ( -0.000 -6.351 0.000) 6.351 20.361 ( -0.000 -0.018 0.000) 0.018 20.747 ( -0.000 -1.493 0.000) 1.493 22.319 ( -0.000 -2.081 0.000) 2.081 23.051 ( -0.000 -0.475 0.000) 0.475 ======================= Grid point 86 (48/147) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -28.609 0.000 0.000) 28.609 2.093 ( -9.301 0.000 0.000) 9.301 2.850 ( 0.201 -0.000 0.000) 0.201 2.956 ( 0.299 -0.000 0.000) 0.299 2.998 ( 5.904 -0.000 0.000) 5.904 3.337 ( -11.838 0.000 0.000) 11.838 3.499 ( -6.597 0.000 0.000) 6.597 3.690 ( 9.137 -0.000 0.000) 9.137 3.804 ( -2.652 0.000 0.000) 2.652 3.933 ( -21.190 0.000 0.000) 21.190 4.051 ( 0.721 -0.000 0.000) 0.721 4.577 ( -4.350 0.000 0.000) 4.350 4.641 ( -18.029 0.000 0.000) 18.029 4.891 ( -12.262 0.000 0.000) 12.262 5.096 ( -2.147 0.000 0.000) 2.147 5.661 ( -5.170 0.000 0.000) 5.170 5.734 ( -5.064 0.000 0.000) 5.064 5.929 ( 0.235 -0.000 0.000) 0.235 6.408 ( -7.241 0.000 0.000) 7.241 6.587 ( 0.750 -0.000 0.000) 0.750 7.057 ( -5.560 0.000 0.000) 5.560 7.608 ( -2.998 0.000 0.000) 2.998 9.215 ( 9.465 -0.000 0.000) 9.465 9.523 ( 10.370 -0.000 0.000) 10.370 9.878 ( -9.642 0.000 0.000) 9.642 10.711 ( 3.516 -0.000 0.000) 3.516 12.986 ( 19.776 -0.000 0.000) 19.776 13.545 ( 0.648 -0.000 0.000) 0.648 14.274 ( 27.585 -0.000 0.000) 27.585 14.328 ( -39.976 0.000 0.000) 39.976 14.634 ( 15.816 -0.000 0.000) 15.816 14.684 ( 2.555 -0.000 0.000) 2.555 15.358 ( -3.531 0.000 0.000) 3.531 15.470 ( 22.858 -0.000 0.000) 22.858 15.591 ( 6.768 -0.000 0.000) 6.768 16.012 ( -35.739 0.000 0.000) 35.739 16.833 ( 5.539 -0.000 0.000) 5.539 17.297 ( -29.737 0.000 0.000) 29.737 17.745 ( 13.877 -0.000 0.000) 13.877 17.883 ( 45.342 -0.000 0.000) 45.342 18.752 ( 47.487 -0.000 0.000) 47.487 19.401 ( 11.710 -0.000 0.000) 11.710 19.819 ( -50.533 0.000 0.000) 50.533 20.608 ( -44.002 0.000 0.000) 44.002 20.887 ( -16.502 0.000 0.000) 16.502 20.985 ( -44.043 0.000 0.000) 44.043 22.316 ( -3.071 0.000 0.000) 3.071 23.025 ( 1.778 -0.000 0.000) 1.778 ======================= Grid point 88 (49/147) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.000 2.991 0.000) 2.991 1.979 ( 0.000 5.337 0.000) 5.337 2.875 ( 0.000 0.355 0.000) 0.355 2.954 ( 0.000 1.907 0.000) 1.907 3.060 ( 0.000 6.006 0.000) 6.006 3.241 ( -0.000 -10.043 0.000) 10.043 3.433 ( -0.000 -0.066 0.000) 0.066 3.691 ( -0.000 -0.077 0.000) 0.077 3.745 ( 0.000 8.667 0.000) 8.667 3.823 ( -0.000 -2.210 0.000) 2.210 4.071 ( -0.000 -1.707 0.000) 1.707 4.478 ( -0.000 -12.532 0.000) 12.532 4.539 ( -0.000 -1.615 0.000) 1.615 4.663 ( 0.000 25.697 0.000) 25.697 5.071 ( 0.000 1.704 0.000) 1.704 5.613 ( -0.000 -1.218 0.000) 1.218 5.766 ( -0.000 -19.181 0.000) 19.181 5.932 ( 0.000 0.541 0.000) 0.541 6.292 ( 0.000 11.064 0.000) 11.064 6.629 ( -0.000 -8.092 0.000) 8.092 7.001 ( 0.000 0.571 0.000) 0.571 7.576 ( 0.000 0.533 0.000) 0.533 9.314 ( -0.000 -1.353 0.000) 1.353 9.636 ( -0.000 -0.965 0.000) 0.965 9.772 ( 0.000 2.933 0.000) 2.933 10.750 ( -0.000 -1.117 0.000) 1.117 13.198 ( -0.000 -2.190 0.000) 2.190 13.540 ( 0.000 2.782 0.000) 2.782 13.892 ( -0.000 -0.052 0.000) 0.052 14.655 ( 0.000 9.831 0.000) 9.831 14.727 ( -0.000 -0.223 0.000) 0.223 14.822 ( -0.000 -0.258 0.000) 0.258 15.148 ( 0.000 0.005 0.000) 0.005 15.649 ( -0.000 -0.523 0.000) 0.523 15.687 ( 0.000 2.883 0.000) 2.883 15.733 ( -0.000 -11.802 0.000) 11.802 16.909 ( -0.000 -0.039 0.000) 0.039 16.937 ( -0.000 -1.520 0.000) 1.520 17.901 ( 0.000 0.840 0.000) 0.840 18.703 ( -0.000 -0.033 0.000) 0.033 18.936 ( 0.000 4.242 0.000) 4.242 19.424 ( -0.000 -2.971 0.000) 2.971 19.679 ( 0.000 0.029 0.000) 0.029 20.000 ( -0.000 -2.838 0.000) 2.838 20.361 ( -0.000 -0.007 0.000) 0.007 20.735 ( -0.000 -0.339 0.000) 0.339 22.292 ( -0.000 -1.145 0.000) 1.145 23.047 ( -0.000 -0.085 0.000) 0.085 ======================= Grid point 175 (50/147) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 0.000 0.000 31.364) 31.364 0.655 ( 0.000 0.000 33.572) 33.572 1.130 ( 0.000 0.000 57.832) 57.832 2.312 ( 0.000 0.000 -22.924) 22.924 2.323 ( 0.000 0.000 -26.496) 26.496 3.068 ( 0.000 0.000 15.652) 15.652 3.456 ( 0.000 0.000 23.659) 23.659 3.701 ( 0.000 0.000 -5.478) 5.478 3.745 ( 0.000 0.000 -2.658) 2.658 4.110 ( 0.000 0.000 -27.510) 27.510 4.200 ( 0.000 0.000 2.712) 2.712 4.376 ( 0.000 0.000 -1.646) 1.646 4.652 ( 0.000 0.000 -5.892) 5.892 4.978 ( 0.000 0.000 -14.807) 14.807 5.062 ( 0.000 0.000 7.417) 7.417 5.629 ( 0.000 0.000 20.298) 20.298 5.815 ( 0.000 0.000 -12.391) 12.391 6.357 ( 0.000 0.000 -4.135) 4.135 6.585 ( 0.000 0.000 11.948) 11.948 6.932 ( 0.000 0.000 8.865) 8.865 7.252 ( 0.000 0.000 -5.847) 5.847 7.383 ( 0.000 0.000 -3.680) 3.680 9.683 ( 0.000 0.000 1.130) 1.130 9.824 ( 0.000 0.000 -2.689) 2.689 10.736 ( 0.000 0.000 10.058) 10.058 11.774 ( 0.000 0.000 -21.748) 21.748 12.550 ( 0.000 0.000 17.780) 17.780 13.372 ( 0.000 0.000 -9.264) 9.264 13.989 ( 0.000 0.000 8.712) 8.712 14.615 ( 0.000 0.000 3.865) 3.865 14.714 ( 0.000 0.000 0.832) 0.832 14.960 ( 0.000 0.000 -17.170) 17.170 15.389 ( 0.000 0.000 6.652) 6.652 15.893 ( 0.000 0.000 3.154) 3.154 16.072 ( 0.000 0.000 -11.351) 11.351 16.220 ( 0.000 0.000 -4.701) 4.701 17.103 ( 0.000 0.000 12.346) 12.346 17.133 ( 0.000 0.000 19.993) 19.993 17.910 ( 0.000 0.000 -9.243) 9.243 18.515 ( 0.000 0.000 -18.192) 18.192 18.982 ( 0.000 0.000 2.752) 2.752 19.090 ( 0.000 0.000 -0.201) 0.201 19.796 ( 0.000 0.000 10.819) 10.819 20.322 ( 0.000 0.000 -4.213) 4.213 20.935 ( 0.000 0.000 2.483) 2.483 21.188 ( 0.000 0.000 -4.100) 4.100 21.675 ( 0.000 0.000 4.255) 4.255 21.933 ( 0.000 0.000 -2.471) 2.471 ======================= Grid point 176 (51/147) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 9.650 -23.734 22.501) 34.099 0.901 ( 21.776 -4.776 20.698) 30.420 1.623 ( 38.504 -6.278 41.175) 56.722 2.321 ( 1.504 -0.949 -22.676) 22.746 2.356 ( 2.899 -4.061 -25.514) 25.998 3.102 ( 3.498 -0.218 16.480) 16.849 3.418 ( -0.570 2.682 20.482) 20.665 3.763 ( 1.721 1.320 1.997) 2.949 3.824 ( 8.550 -1.158 -0.712) 8.657 4.218 ( 10.467 -1.616 -27.037) 29.037 4.244 ( 4.914 0.888 2.296) 5.496 4.503 ( 13.020 0.837 -5.462) 14.144 4.667 ( 5.693 8.174 -7.625) 12.545 5.007 ( 0.650 -4.283 -14.089) 14.739 5.111 ( 5.672 0.200 6.688) 8.772 5.728 ( 8.625 -2.259 18.139) 20.212 5.846 ( 4.013 1.415 -10.809) 11.617 6.344 ( 3.473 9.024 1.248) 9.749 6.597 ( -1.417 -6.952 8.653) 11.190 7.003 ( 6.952 -0.822 8.630) 11.113 7.206 ( -3.019 2.355 -5.523) 6.720 7.503 ( 10.682 0.758 -7.663) 13.168 9.580 ( -9.569 1.310 1.183) 9.730 9.716 ( -10.205 2.068 -2.379) 10.681 10.772 ( 2.833 -2.432 9.322) 10.042 10.887 ( -69.591 32.960 91.000) 119.207 11.812 ( -14.146 -18.675 -13.828) 27.204 12.472 ( -20.137 -18.062 13.417) 30.195 13.819 ( -14.414 4.653 -7.925) 17.095 14.286 ( -31.277 -3.252 -9.643) 32.891 14.585 ( -6.973 1.603 6.317) 9.545 14.946 ( -5.279 -0.312 -10.907) 12.121 15.305 ( 0.975 8.864 6.764) 11.193 15.849 ( -2.239 5.223 10.280) 11.746 16.093 ( -6.994 -1.611 -10.226) 12.494 16.563 ( -3.294 -2.832 -14.016) 14.674 17.139 ( -1.062 3.040 5.634) 6.489 17.178 ( -2.717 -2.453 7.546) 8.387 18.171 ( 8.719 -0.169 2.874) 9.182 18.183 ( 20.412 4.487 -3.171) 21.139 18.884 ( -5.196 8.708 2.683) 10.490 19.091 ( -18.107 -4.751 -5.487) 19.508 20.540 ( 36.203 3.567 1.140) 36.397 20.568 ( 30.959 0.007 1.815) 31.013 21.350 ( 19.073 4.289 -2.644) 19.727 21.592 ( 32.597 36.325 -6.152) 49.192 21.975 ( 3.399 -9.008 -2.427) 9.929 22.451 ( 43.425 -29.451 -46.741) 70.270 ======================= Grid point 177 (52/147) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 14.246 -27.122 13.477) 33.469 1.414 ( 24.832 -6.926 11.662) 28.295 2.397 ( 14.932 -2.826 -10.721) 18.598 2.454 ( 21.600 -7.448 -1.483) 22.896 2.535 ( 20.652 -6.438 -6.823) 22.683 3.209 ( 7.370 -0.868 17.967) 19.439 3.434 ( 4.453 3.205 18.289) 19.095 3.760 ( -0.855 0.508 5.014) 5.111 3.972 ( 5.592 0.835 1.333) 5.809 4.338 ( 6.983 3.886 2.890) 8.498 4.510 ( 15.756 -2.508 -17.783) 23.891 4.770 ( 13.472 8.022 -14.026) 21.038 4.850 ( 20.428 0.220 -12.613) 24.010 5.052 ( 2.228 -1.005 -10.750) 11.024 5.284 ( 12.050 -0.874 4.621) 12.935 5.891 ( 6.467 1.333 -5.041) 8.308 6.015 ( 14.172 -1.566 11.616) 18.391 6.384 ( 8.138 10.185 7.872) 15.229 6.639 ( 0.783 -6.770 3.716) 7.763 7.129 ( -2.445 2.999 -5.082) 6.387 7.204 ( 12.876 -1.492 7.470) 14.960 7.726 ( 13.520 3.613 -8.189) 16.215 9.340 ( -12.988 1.611 0.635) 13.103 9.428 ( -16.554 3.635 -1.496) 17.014 10.117 ( -12.295 4.971 52.380) 54.033 10.897 ( 8.421 -0.905 6.548) 10.706 11.679 ( -14.479 -14.037 -9.657) 22.360 12.176 ( -22.348 -20.996 -2.035) 30.731 13.405 ( -20.911 8.080 -3.512) 22.692 13.818 ( -21.698 -8.146 -7.023) 24.218 14.395 ( -10.184 2.107 4.683) 11.406 14.823 ( -6.987 -1.573 -14.815) 16.455 15.235 ( -7.044 -3.814 4.691) 9.283 15.723 ( -6.108 7.769 13.009) 16.337 15.921 ( -12.071 -2.636 -7.351) 14.377 16.364 ( -13.731 1.984 -4.618) 14.622 17.004 ( -10.286 2.524 2.019) 10.782 17.060 ( -9.405 -2.261 2.412) 9.969 18.379 ( 13.976 6.740 0.844) 15.539 18.474 ( 9.924 15.361 -1.865) 18.383 18.683 ( -6.901 11.265 2.853) 13.515 18.945 ( -0.483 -11.701 -3.999) 12.375 21.044 ( 28.960 7.408 6.824) 30.661 21.381 ( 41.951 -1.467 0.190) 41.977 21.839 ( 33.447 5.565 -2.580) 34.004 21.922 ( 18.966 10.018 -3.644) 21.757 22.205 ( 17.356 -9.215 5.437) 20.389 23.134 ( 22.818 -1.657 -25.410) 34.192 ======================= Grid point 178 (53/147) ======================= q-point: ( 0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 15.613 -21.648 8.980) 28.162 1.912 ( 21.114 -7.428 9.385) 24.270 2.623 ( 12.113 -2.550 -18.063) 21.898 2.755 ( 12.650 -6.484 -19.885) 24.444 3.274 ( 34.082 -9.678 16.538) 39.099 3.398 ( 10.415 -3.540 17.835) 20.954 3.521 ( 6.627 4.054 14.069) 16.071 3.739 ( -0.779 -0.364 4.019) 4.110 4.030 ( 1.936 0.866 4.659) 5.119 4.436 ( 7.252 7.515 2.851) 10.826 4.808 ( 12.566 -2.959 -8.325) 15.361 4.981 ( 11.170 2.727 -14.658) 18.630 5.112 ( 5.753 0.803 -11.743) 13.101 5.278 ( 21.721 0.680 -17.704) 28.030 5.574 ( 18.306 3.489 3.795) 19.018 6.013 ( 8.499 3.759 -7.748) 12.099 6.326 ( 15.053 -4.018 13.660) 20.720 6.496 ( 8.584 3.976 11.337) 14.766 6.740 ( 7.779 0.825 2.470) 8.203 7.084 ( 0.043 2.068 -4.334) 4.802 7.501 ( 16.305 -1.179 5.217) 17.159 7.939 ( 11.588 6.475 -6.301) 14.694 9.077 ( -14.605 3.573 -0.628) 15.048 9.110 ( -10.058 1.332 -1.187) 10.215 10.006 ( -2.064 -3.449 31.693) 31.947 10.996 ( -0.785 6.933 3.395) 7.760 11.591 ( -0.744 -21.508 -1.489) 21.572 12.030 ( -9.951 -23.127 -13.027) 28.347 12.959 ( -19.670 5.976 3.410) 20.839 13.545 ( -13.418 -7.604 -4.463) 16.055 14.198 ( -8.535 1.179 3.247) 9.208 14.705 ( -6.048 1.021 -18.271) 19.273 15.074 ( -13.561 -5.607 3.261) 15.032 15.508 ( -9.268 9.061 12.375) 17.921 15.663 ( -18.064 -3.342 -5.018) 19.044 16.080 ( -12.453 3.172 -2.882) 13.170 16.738 ( -14.783 2.121 2.798) 15.195 16.862 ( -13.539 -2.883 0.044) 13.843 18.419 ( 0.826 9.016 0.907) 9.099 18.501 ( -0.563 12.309 -0.008) 12.322 18.632 ( 12.437 6.819 3.383) 14.582 19.068 ( 3.710 -4.650 -6.609) 8.892 21.498 ( 22.874 5.220 7.193) 24.540 22.035 ( 14.366 1.548 -6.977) 16.046 22.244 ( 32.661 -1.143 3.560) 32.875 22.496 ( 34.281 0.527 -5.272) 34.688 22.765 ( 32.841 -1.460 9.283) 34.159 23.506 ( 17.956 2.857 -11.562) 21.547 ======================= Grid point 179 (54/147) ======================= q-point: ( 0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 13.978 -13.854 6.657) 20.776 2.321 ( 16.042 -6.344 8.575) 19.264 2.879 ( 11.790 -2.824 -14.470) 18.878 3.040 ( 12.484 -3.567 -14.975) 19.820 3.555 ( 2.016 2.539 12.155) 12.580 3.671 ( 11.123 -5.501 8.960) 15.306 3.721 ( 1.971 1.269 2.551) 3.465 3.949 ( 23.774 -13.170 10.739) 29.223 4.065 ( 2.263 -0.981 8.951) 9.284 4.501 ( 6.416 10.193 3.424) 12.521 5.024 ( 7.426 -2.332 -3.439) 8.510 5.120 ( 5.902 -1.259 -7.052) 9.282 5.267 ( 8.961 -1.025 -13.088) 15.895 5.644 ( 16.566 1.573 -20.345) 26.284 5.875 ( 16.936 11.244 0.262) 20.331 6.147 ( 7.721 3.772 -8.166) 11.855 6.601 ( 7.142 -8.350 9.258) 14.368 6.677 ( 14.094 1.321 15.399) 20.917 6.922 ( 13.666 7.087 3.755) 15.845 7.112 ( 3.874 -0.044 -2.564) 4.646 7.815 ( 15.033 -0.233 1.728) 15.134 8.023 ( 1.738 8.158 -3.240) 8.948 8.862 ( -3.045 4.744 -0.037) 5.637 8.978 ( -3.949 -1.472 -3.332) 5.373 10.047 ( 1.960 -8.027 22.945) 24.387 10.854 ( -5.327 2.453 3.825) 7.002 11.940 ( 16.689 -16.287 -3.917) 23.646 12.101 ( 0.489 -18.843 -13.624) 23.258 12.599 ( -13.349 1.018 9.416) 16.368 13.393 ( -8.350 -6.686 -4.151) 11.474 14.060 ( -4.792 1.325 2.587) 5.605 14.548 ( -7.703 8.152 -16.799) 20.198 14.798 ( -17.433 -0.860 1.470) 17.516 15.240 ( -21.022 3.263 11.159) 24.023 15.282 ( -14.244 0.158 -3.066) 14.571 15.879 ( -7.040 0.952 -4.826) 8.588 16.433 ( -15.033 1.638 3.777) 15.586 16.583 ( -17.635 -3.438 -0.387) 17.971 18.386 ( 0.159 2.460 1.911) 3.119 18.448 ( 3.644 10.257 0.197) 10.887 18.814 ( 10.977 6.165 1.911) 12.734 19.139 ( 1.884 -1.229 -5.829) 6.248 21.843 ( 15.948 1.979 5.224) 16.898 22.182 ( 6.036 1.032 -3.149) 6.886 22.919 ( 31.993 -2.407 1.408) 32.115 23.113 ( 28.620 -2.269 -4.877) 29.121 23.368 ( 28.591 2.228 6.941) 29.505 23.796 ( 14.347 2.778 -5.107) 15.480 ======================= Grid point 180 (55/147) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 9.791 -7.197 5.605) 13.382 2.613 ( 10.305 -3.841 7.333) 13.218 3.094 ( 8.263 -2.494 -9.745) 13.018 3.267 ( 9.125 -1.147 -11.145) 14.450 3.531 ( -1.750 2.221 5.553) 6.231 3.710 ( -0.821 1.886 0.758) 2.193 3.924 ( 8.264 -7.921 5.691) 12.784 4.124 ( 2.648 -1.613 8.817) 9.346 4.423 ( 15.031 -10.514 7.948) 19.991 4.538 ( 5.057 8.507 6.009) 11.578 5.115 ( 2.822 1.097 -3.481) 4.614 5.294 ( 7.824 -7.636 -3.004) 11.338 5.427 ( 5.898 -3.484 -8.743) 11.107 5.865 ( 8.316 6.182 -13.643) 17.132 6.027 ( 9.679 13.544 -8.213) 18.562 6.231 ( 2.959 2.003 -11.169) 11.727 6.782 ( 7.182 -4.634 14.234) 16.603 6.943 ( 11.820 -1.871 11.945) 16.909 7.128 ( 11.836 5.522 2.886) 13.376 7.221 ( 6.104 -1.511 -0.734) 6.331 7.911 ( -5.446 7.394 0.004) 9.184 8.055 ( 9.470 0.269 -3.124) 9.976 8.864 ( 5.619 6.382 0.430) 8.514 8.969 ( -0.046 -4.381 -2.899) 5.253 10.195 ( 6.359 -9.106 19.052) 22.053 10.812 ( 1.047 0.181 4.391) 4.518 12.100 ( -2.458 6.506 -5.436) 8.827 12.422 ( 13.437 -17.657 -11.177) 24.845 12.605 ( 9.972 -17.419 7.303) 21.359 13.320 ( -3.343 -5.072 -2.632) 6.620 13.995 ( 0.183 5.221 1.039) 5.326 14.252 ( -14.581 14.340 -8.958) 22.327 14.436 ( -19.189 4.854 -1.556) 19.855 14.754 ( -24.156 -3.542 3.917) 24.727 15.112 ( -5.620 0.227 3.364) 6.554 15.773 ( -4.282 -0.428 -7.366) 8.531 16.160 ( -11.743 1.435 3.681) 12.390 16.269 ( -16.293 -3.146 0.308) 16.597 18.383 ( 0.332 0.125 1.953) 1.985 18.468 ( 4.178 6.176 -0.146) 7.458 18.954 ( 7.289 3.715 1.160) 8.263 19.171 ( 1.107 -0.072 -4.332) 4.471 22.080 ( 9.566 0.184 3.453) 10.172 22.274 ( 4.137 0.583 -1.409) 4.409 23.464 ( 22.462 -2.688 0.709) 22.634 23.600 ( 19.869 -2.145 -3.763) 20.336 23.790 ( 16.895 2.388 4.322) 17.602 24.001 ( 8.389 1.957 -1.970) 8.837 ======================= Grid point 181 (56/147) ======================= q-point: ( 0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 3.594 -2.223 5.423) 6.875 2.766 ( 3.594 -1.166 5.647) 6.795 3.225 ( 3.511 -1.360 -4.967) 6.233 3.398 ( 3.899 0.232 -10.356) 11.068 3.478 ( -2.069 0.675 3.940) 4.501 3.676 ( -1.057 0.778 -1.209) 1.784 4.078 ( 2.804 -3.880 3.921) 6.188 4.169 ( 1.028 -0.331 7.017) 7.099 4.553 ( 2.276 4.082 8.177) 9.418 4.679 ( 4.729 -4.621 6.272) 9.113 5.143 ( 0.931 0.535 -2.466) 2.689 5.450 ( 2.869 -2.129 -9.846) 10.474 5.580 ( 4.493 -11.238 0.955) 12.140 5.849 ( 0.205 14.430 -1.877) 14.553 6.110 ( 4.313 1.954 -18.224) 18.829 6.237 ( -0.473 1.184 -14.022) 14.080 6.914 ( 3.431 -1.258 17.706) 18.080 7.122 ( 4.676 -1.636 9.907) 11.077 7.262 ( 4.641 2.858 2.702) 6.083 7.337 ( 3.578 -2.341 -2.049) 4.742 7.766 ( -3.720 3.972 1.937) 5.776 8.171 ( 2.947 0.149 -7.483) 8.044 8.927 ( 3.867 3.858 1.465) 5.655 9.002 ( -0.173 -3.192 -0.848) 3.308 10.376 ( 4.983 -4.876 18.516) 19.785 10.831 ( 0.302 0.624 5.118) 5.165 12.007 ( -0.963 4.243 -1.627) 4.645 12.732 ( 6.478 -8.714 -21.939) 24.479 12.994 ( 12.076 -13.705 4.158) 18.733 13.390 ( 8.453 -4.148 6.168) 11.256 13.820 ( -17.951 8.845 -3.814) 20.372 13.894 ( -7.636 16.215 -6.947) 19.222 14.110 ( -5.694 -3.370 3.203) 7.351 14.457 ( -8.975 -1.768 5.971) 10.924 15.047 ( -1.648 -0.559 0.751) 1.895 15.711 ( -2.287 -0.281 -9.290) 9.572 15.987 ( -4.692 0.625 3.386) 5.820 16.061 ( -6.200 -1.259 0.968) 6.400 18.390 ( 0.178 -0.155 1.969) 1.983 18.498 ( 1.707 1.979 -0.491) 2.659 19.032 ( 2.562 1.194 0.738) 2.922 19.186 ( 0.416 0.080 -3.354) 3.381 22.203 ( 3.212 -0.144 2.527) 4.089 22.327 ( 1.535 0.197 -0.639) 1.675 23.801 ( 9.966 -2.596 -0.032) 10.298 23.872 ( 6.537 0.833 -2.594) 7.082 23.993 ( 6.352 -0.263 2.463) 6.817 24.075 ( 0.543 1.639 -0.254) 1.745 ======================= Grid point 189 (57/147) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 19.075 -0.000 17.886) 26.149 1.362 ( 25.723 -0.000 12.635) 28.658 2.374 ( 29.560 -0.000 8.525) 30.764 2.403 ( 7.861 -0.000 -20.808) 22.244 2.487 ( 21.367 -0.000 -8.372) 22.949 3.203 ( 7.064 -0.000 18.596) 19.892 3.460 ( 4.160 -0.000 19.356) 19.798 3.762 ( -1.354 0.000 5.946) 6.098 3.978 ( 6.005 -0.000 -0.105) 6.006 4.368 ( 7.598 -0.000 4.247) 8.704 4.488 ( 15.981 -0.000 -20.627) 26.093 4.844 ( 21.197 -0.000 -13.344) 25.047 4.854 ( 10.002 -0.000 -12.626) 16.108 5.027 ( 3.388 -0.000 -15.055) 15.431 5.282 ( 12.824 -0.000 9.580) 16.008 5.896 ( 7.853 -0.000 1.356) 7.970 6.008 ( 13.166 -0.000 5.992) 14.465 6.516 ( 10.160 -0.000 -1.793) 10.317 6.532 ( -1.498 0.000 11.627) 11.723 7.149 ( -3.272 0.000 -5.221) 6.161 7.193 ( 13.055 -0.000 8.362) 15.503 7.756 ( 14.284 -0.000 -9.542) 17.178 9.353 ( -13.370 0.000 1.036) 13.410 9.456 ( -16.803 0.000 -1.531) 16.873 10.164 ( -18.346 0.000 58.136) 60.962 10.889 ( 10.684 -0.000 6.917) 12.728 11.566 ( -12.011 0.000 -11.704) 16.771 12.010 ( -22.013 0.000 0.577) 22.021 13.480 ( -21.965 0.000 -4.110) 22.346 13.745 ( -21.177 0.000 -7.919) 22.609 14.415 ( -10.313 0.000 3.418) 10.865 14.809 ( -6.865 0.000 -14.963) 16.463 15.200 ( -9.397 0.000 5.544) 10.911 15.788 ( -5.943 0.000 16.976) 17.987 15.894 ( -12.605 0.000 -11.867) 17.312 16.382 ( -12.762 0.000 -3.750) 13.302 17.026 ( -11.204 0.000 2.010) 11.383 17.040 ( -8.813 0.000 3.065) 9.331 18.427 ( 15.943 -0.000 1.176) 15.986 18.658 ( 13.002 -0.000 -6.335) 14.463 18.743 ( -14.096 0.000 1.307) 14.156 18.819 ( 0.711 -0.000 1.120) 1.327 21.104 ( 28.169 -0.000 6.242) 28.852 21.370 ( 42.211 -0.000 0.490) 42.214 21.889 ( 32.723 -0.000 -1.252) 32.747 22.017 ( 5.585 -0.000 -2.707) 6.206 22.119 ( 25.047 -0.000 4.225) 25.401 23.114 ( 27.474 -0.000 -30.844) 41.306 ======================= Grid point 190 (58/147) ======================= q-point: ( 0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 22.232 -10.318 12.144) 27.353 1.839 ( 22.489 -2.508 9.896) 24.698 2.607 ( 12.802 0.261 -18.027) 22.112 2.673 ( 13.944 -3.863 -23.255) 27.389 3.180 ( 34.556 -3.117 16.808) 38.553 3.366 ( 9.225 -1.010 19.465) 21.564 3.567 ( 7.022 1.859 16.040) 17.609 3.729 ( -1.958 -0.668 4.873) 5.294 4.041 ( 1.343 0.525 2.526) 2.908 4.517 ( 8.593 3.072 5.652) 10.734 4.767 ( 11.579 -1.829 -12.082) 16.835 5.023 ( 8.177 1.985 -14.856) 17.073 5.110 ( 6.376 -0.480 -17.926) 19.033 5.288 ( 22.219 0.384 -16.910) 27.925 5.612 ( 21.131 1.421 8.228) 22.721 6.049 ( 9.046 1.165 -2.303) 9.408 6.287 ( 13.502 -1.239 11.627) 17.861 6.529 ( 3.353 0.840 11.691) 12.192 6.755 ( 13.821 0.810 -1.054) 13.884 7.098 ( -1.553 0.301 -4.771) 5.026 7.489 ( 16.950 -0.416 6.978) 18.335 8.013 ( 12.369 2.831 -7.924) 14.960 9.110 ( -11.651 0.970 -0.369) 11.697 9.127 ( -14.599 0.768 -0.685) 14.635 9.974 ( -4.994 -0.948 34.693) 35.063 11.121 ( 3.315 10.216 3.207) 11.209 11.317 ( -3.925 -15.397 1.351) 15.947 11.769 ( -6.590 -10.206 -12.492) 17.425 13.040 ( -20.833 3.736 0.241) 21.167 13.456 ( -11.964 -3.731 -3.938) 13.136 14.219 ( -8.916 1.097 2.372) 9.291 14.710 ( -3.810 -0.054 -19.729) 20.094 14.999 ( -12.781 -3.245 5.153) 14.158 15.602 ( -14.178 2.429 -1.771) 14.493 15.635 ( -13.020 0.186 9.080) 15.874 16.121 ( -12.768 1.737 -2.354) 13.099 16.759 ( -15.445 0.724 2.065) 15.599 16.833 ( -13.387 -0.998 0.940) 13.457 18.511 ( -6.326 3.490 2.251) 7.568 18.634 ( -2.950 4.881 -1.218) 5.832 18.705 ( 12.325 2.663 1.310) 12.677 19.008 ( 7.901 -2.699 -5.648) 10.081 21.565 ( 20.898 2.933 6.905) 22.204 22.053 ( 16.567 0.663 -6.011) 17.636 22.234 ( 29.035 -0.333 3.900) 29.298 22.491 ( 30.542 -0.541 -4.969) 30.949 22.755 ( 36.901 -0.101 8.147) 37.790 23.531 ( 17.932 0.692 -13.606) 22.520 ======================= Grid point 191 (59/147) ======================= q-point: ( 0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 20.793 -9.397 8.880) 24.484 2.249 ( 17.821 -3.373 8.741) 20.134 2.857 ( 12.550 -0.127 -15.139) 19.665 2.984 ( 14.422 -3.809 -19.375) 24.452 3.550 ( 6.547 -2.426 18.534) 19.806 3.649 ( 4.444 2.032 5.567) 7.407 3.724 ( 1.593 -0.982 5.771) 6.067 3.794 ( 24.153 -7.161 10.994) 27.487 4.056 ( 1.304 -0.222 6.918) 7.043 4.634 ( 7.244 7.197 6.642) 12.182 4.965 ( 7.416 -4.169 -6.147) 10.496 5.129 ( 4.447 1.620 -12.368) 13.243 5.253 ( 7.474 -1.177 -16.048) 17.742 5.662 ( 16.231 0.583 -20.878) 26.451 6.003 ( 20.518 6.120 4.184) 21.817 6.212 ( 9.091 4.282 1.069) 10.106 6.488 ( 5.884 -6.226 8.492) 12.062 6.693 ( 13.203 0.694 14.273) 19.456 7.009 ( 13.087 4.077 -1.688) 13.811 7.104 ( 3.077 -0.611 -2.536) 4.034 7.813 ( 15.677 0.021 3.633) 16.092 8.127 ( 1.408 5.398 -4.612) 7.238 8.918 ( -2.568 2.692 -0.840) 3.814 8.956 ( -6.186 -1.384 -1.722) 6.568 9.952 ( 0.698 -4.640 24.309) 24.758 10.889 ( -9.023 2.033 3.281) 9.814 11.715 ( 21.676 -11.894 -0.632) 24.733 11.850 ( 5.028 -13.614 -11.439) 18.479 12.658 ( -15.462 4.697 4.452) 16.762 13.307 ( -7.123 -4.601 -3.244) 9.079 14.081 ( -4.148 1.366 2.564) 5.064 14.636 ( -3.417 3.824 -20.288) 20.926 14.755 ( -15.347 -3.518 4.481) 16.370 15.223 ( -24.802 -1.905 -5.365) 25.446 15.368 ( -11.999 6.478 13.878) 19.456 15.903 ( -8.142 1.731 -4.983) 9.701 16.452 ( -15.371 0.876 2.836) 15.654 16.544 ( -17.332 -1.755 0.370) 17.425 18.411 ( -2.597 1.104 2.976) 4.101 18.569 ( 0.192 5.723 -0.920) 5.800 18.887 ( 8.997 3.529 0.711) 9.690 19.122 ( 3.324 -0.987 -5.344) 6.370 21.880 ( 14.462 2.460 5.230) 15.574 22.208 ( 6.541 1.947 -2.857) 7.399 22.889 ( 31.896 -1.552 1.429) 31.965 23.069 ( 27.466 -2.935 -3.765) 27.878 23.400 ( 29.411 1.779 5.575) 29.987 23.821 ( 13.122 0.815 -5.625) 14.300 ======================= Grid point 192 (60/147) ======================= q-point: ( 0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 15.826 -3.750 6.828) 17.639 2.565 ( 12.665 -2.660 8.036) 15.233 3.067 ( 8.683 -0.874 -11.422) 14.374 3.249 ( 10.691 -1.408 -14.799) 18.311 3.558 ( -2.616 1.353 7.766) 8.305 3.731 ( -1.154 0.932 2.112) 2.581 3.810 ( 7.697 -6.751 7.050) 12.431 4.100 ( 3.181 -1.558 7.393) 8.198 4.254 ( 15.616 -10.302 9.501) 20.983 4.685 ( 4.640 9.771 7.371) 13.089 5.115 ( 4.461 -2.383 -4.330) 6.658 5.198 ( 3.891 -2.894 -6.492) 8.104 5.391 ( 5.079 -2.494 -13.231) 14.391 5.894 ( 8.303 -0.726 -20.913) 22.513 6.240 ( 9.830 9.901 -1.585) 14.042 6.300 ( 5.262 10.569 1.930) 11.963 6.678 ( 7.911 -8.518 10.005) 15.337 6.938 ( 11.514 0.445 13.318) 17.611 7.140 ( 4.015 -3.356 -4.129) 6.666 7.258 ( 10.909 5.676 1.868) 12.438 8.015 ( -6.221 6.294 -1.211) 8.932 8.056 ( 8.998 0.001 -1.932) 9.203 8.892 ( -3.085 -4.242 -0.120) 5.247 8.955 ( 6.779 4.255 -1.221) 8.096 10.074 ( 7.337 -6.925 19.678) 22.114 10.813 ( 0.735 -0.075 3.261) 3.344 12.109 ( 9.185 -7.163 -11.730) 16.530 12.200 ( 16.959 -10.899 -6.199) 21.091 12.430 ( -1.791 -4.353 10.537) 11.541 13.251 ( -1.665 -3.992 -3.242) 5.406 14.044 ( 1.208 1.977 2.585) 3.471 14.417 ( -16.334 6.443 -4.956) 18.245 14.509 ( -11.735 5.566 -5.061) 13.939 14.727 ( -24.209 -0.818 -1.390) 24.263 15.128 ( -8.498 2.064 6.934) 11.160 15.778 ( -4.438 0.728 -7.995) 9.173 16.179 ( -11.897 1.183 2.860) 12.293 16.231 ( -15.190 -1.964 1.176) 15.361 18.382 ( -0.502 -0.265 2.812) 2.869 18.547 ( 0.956 4.277 -1.022) 4.500 19.001 ( 5.154 2.483 0.543) 5.747 19.170 ( 1.498 -0.128 -4.117) 4.382 22.092 ( 9.050 1.166 3.736) 9.860 22.303 ( 5.101 2.795 -1.548) 6.019 23.428 ( 22.395 -2.160 0.799) 22.513 23.554 ( 19.930 -3.562 -2.799) 20.439 23.827 ( 16.410 2.256 3.162) 16.863 24.016 ( 7.360 0.292 -1.995) 7.631 ======================= Grid point 193 (61/147) ======================= q-point: ( 0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 8.736 1.774 5.507) 10.478 2.760 ( 6.307 0.165 6.648) 9.165 3.200 ( 4.081 -1.693 -6.904) 8.196 3.403 ( 4.774 0.380 -11.951) 12.875 3.488 ( -3.297 0.715 5.500) 6.452 3.688 ( -1.918 0.779 -0.677) 2.178 3.981 ( 3.897 -7.934 4.901) 10.107 4.159 ( 1.616 -0.906 7.325) 7.556 4.553 ( 6.797 -11.099 6.242) 14.435 4.668 ( 1.222 9.957 8.236) 12.979 5.155 ( 0.504 1.010 -4.310) 4.456 5.339 ( 4.084 -10.497 -2.282) 11.493 5.476 ( 1.541 -3.325 -9.601) 10.277 6.000 ( 2.624 1.682 -17.526) 17.801 6.251 ( 0.073 14.441 -1.578) 14.527 6.264 ( 0.280 7.097 -6.662) 9.738 6.857 ( 3.844 -6.155 13.887) 15.669 7.098 ( 4.599 -0.783 10.836) 11.798 7.248 ( 2.555 -7.068 -2.633) 7.963 7.362 ( 4.285 7.103 1.931) 8.518 7.849 ( -5.241 6.435 0.407) 8.309 8.162 ( 1.763 -1.328 -7.329) 7.654 8.874 ( -3.919 -6.900 3.143) 8.535 9.048 ( 5.617 5.247 -1.316) 7.799 10.298 ( 9.558 -5.362 18.684) 21.661 10.844 ( 1.061 0.969 4.446) 4.672 12.067 ( -6.410 3.753 -2.525) 7.845 12.574 ( 14.441 -11.641 -17.276) 25.348 12.769 ( 17.370 -15.234 4.725) 23.582 13.326 ( 7.213 -3.899 0.189) 8.202 13.923 ( -22.602 3.680 -0.796) 22.914 14.086 ( -16.828 4.813 -2.944) 17.749 14.151 ( 1.691 12.770 0.603) 12.896 14.465 ( -4.770 2.595 4.443) 7.016 15.029 ( -2.094 -1.636 0.585) 2.721 15.711 ( -2.000 0.200 -10.062) 10.261 15.994 ( -5.530 0.364 3.306) 6.453 16.053 ( -3.734 0.219 1.405) 3.996 18.384 ( 0.123 -0.601 2.366) 2.444 18.527 ( -1.051 1.827 -0.883) 2.285 19.046 ( 0.607 0.636 0.581) 1.054 19.187 ( 0.371 0.085 -3.363) 3.385 22.206 ( 3.410 0.535 2.903) 4.510 22.357 ( 2.784 3.401 -0.931) 4.493 23.761 ( 10.044 -2.622 0.374) 10.387 23.860 ( 8.790 -2.273 -2.967) 9.552 24.000 ( 3.745 1.163 2.591) 4.700 24.087 ( -0.080 0.126 -0.388) 0.415 ======================= Grid point 194 (62/147) ======================= q-point: (-0.54 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 1.311 6.253 4.882) 8.041 2.798 ( -1.045 3.138 5.041) 6.029 3.232 ( -2.143 -0.459 -3.427) 4.068 3.399 ( -3.594 0.412 -7.405) 8.242 3.469 ( 0.765 -0.469 1.442) 1.698 3.667 ( -0.016 -0.375 -2.110) 2.143 4.064 ( -0.697 -5.396 3.886) 6.686 4.168 ( -1.004 -0.305 6.449) 6.534 4.580 ( -3.709 6.948 8.728) 11.756 4.668 ( -1.779 -5.723 5.798) 8.339 5.139 ( -1.562 0.046 -2.442) 2.899 5.440 ( -1.364 -4.048 -9.061) 10.018 5.531 ( -0.518 -12.209 -0.636) 12.237 5.898 ( -6.649 15.263 -4.064) 17.137 6.156 ( -3.859 8.190 -15.269) 17.751 6.196 ( -2.370 -3.635 -11.651) 12.433 6.894 ( -3.797 -3.960 16.577) 17.461 7.112 ( -4.270 -1.828 10.361) 11.355 7.286 ( -4.234 0.376 -0.751) 4.317 7.325 ( -3.292 0.321 0.370) 3.328 7.756 ( 0.178 2.681 1.400) 3.030 8.155 ( -3.756 -2.136 -8.048) 9.135 8.826 ( -6.710 -8.094 3.905) 11.215 9.075 ( 1.128 5.062 -2.896) 5.940 10.432 ( 1.323 2.527 18.854) 19.069 10.831 ( -0.804 0.668 5.275) 5.377 11.947 ( -4.872 -3.850 -0.546) 6.234 12.814 ( 4.081 2.445 -23.286) 23.767 13.103 ( 4.151 -0.870 3.511) 5.507 13.451 ( -10.384 4.690 7.534) 13.660 13.621 ( 8.319 -14.863 0.863) 17.055 13.784 ( -4.046 0.307 -11.251) 11.961 14.199 ( 8.182 8.520 3.440) 12.304 14.508 ( 12.136 4.519 5.590) 14.105 15.043 ( 1.891 -1.063 -0.047) 2.170 15.719 ( 3.155 0.653 -9.739) 10.258 15.982 ( 4.219 0.154 4.108) 5.891 16.086 ( 8.151 2.038 0.625) 8.425 18.388 ( -0.255 -0.422 1.652) 1.724 18.471 ( -4.803 -1.648 -0.253) 5.084 19.011 ( -4.578 -1.566 1.027) 4.946 19.185 ( -0.498 -0.028 -3.549) 3.584 22.210 ( -2.599 0.810 2.791) 3.899 22.354 ( -0.401 3.601 -0.873) 3.727 23.823 ( -7.126 -0.757 -0.458) 7.181 23.856 ( -8.022 0.057 -1.440) 8.151 23.998 ( -7.312 0.114 1.250) 7.419 24.040 ( -2.059 -2.834 0.320) 3.518 ======================= Grid point 195 (63/147) ======================= q-point: (-0.46 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -4.908 10.325 4.257) 12.199 2.681 ( -7.511 5.541 5.774) 10.975 3.131 ( -7.306 2.079 -6.373) 9.916 3.285 ( -7.832 1.316 -7.716) 11.073 3.496 ( 0.449 -2.516 3.512) 4.344 3.679 ( -0.132 -2.107 -1.015) 2.343 4.008 ( -6.903 2.034 4.490) 8.482 4.139 ( -2.105 -0.147 7.165) 7.469 4.437 ( -7.859 -0.219 7.011) 10.534 4.559 ( -10.666 3.592 7.885) 13.742 5.097 ( -3.194 -1.105 -1.587) 3.734 5.360 ( -7.843 1.488 -9.857) 12.684 5.518 ( -7.994 3.698 0.274) 8.812 5.698 ( -6.090 -7.731 -0.876) 9.880 5.965 ( -11.183 3.221 -18.525) 21.877 6.183 ( -4.147 -5.204 -17.073) 18.324 6.792 ( -8.740 -3.057 15.960) 18.451 6.973 ( -10.187 -0.307 11.730) 15.539 7.093 ( -12.333 3.747 3.634) 13.392 7.224 ( -8.105 -2.183 -2.016) 8.632 7.818 ( 4.059 -4.439 0.661) 6.051 8.043 ( -9.460 -1.497 -4.249) 10.478 8.759 ( -5.473 -7.847 2.338) 9.848 9.029 ( -1.761 3.726 -5.072) 6.535 10.333 ( -4.632 9.379 18.394) 21.160 10.808 ( -1.461 -0.365 5.317) 5.526 11.977 ( 2.627 -9.234 -0.237) 9.603 12.674 ( -7.909 15.634 -14.656) 22.842 12.885 ( -10.213 19.232 3.647) 22.079 13.387 ( 4.769 3.482 -1.014) 5.991 13.870 ( 5.520 -11.734 -1.727) 13.082 14.024 ( 14.504 -15.659 -7.512) 22.628 14.405 ( 17.105 1.995 1.477) 17.284 14.823 ( 23.170 4.975 5.776) 24.392 15.112 ( 5.181 -0.024 -0.520) 5.207 15.796 ( 5.570 2.503 -8.076) 10.124 16.142 ( 11.622 -0.696 5.209) 12.755 16.320 ( 17.369 3.676 -0.209) 17.755 18.369 ( -7.544 -5.787 0.543) 9.523 18.378 ( -2.438 -1.862 0.629) 3.131 18.895 ( -9.568 -4.155 2.272) 10.676 19.171 ( -0.837 -0.025 -4.592) 4.667 22.089 ( -9.208 1.460 3.540) 9.973 22.293 ( -3.334 3.015 -1.536) 4.750 23.503 ( -22.559 2.397 0.394) 22.690 23.606 ( -20.158 -1.317 -3.199) 20.453 23.765 ( -17.308 -0.968 4.016) 17.794 23.957 ( -9.840 -4.021 -1.692) 10.764 ======================= Grid point 196 (64/147) ======================= q-point: (-0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -9.672 13.699 3.971) 17.233 2.436 ( -12.177 9.415 7.675) 17.200 2.933 ( -10.733 4.025 -11.306) 16.100 3.088 ( -10.666 3.029 -10.354) 15.170 3.503 ( -2.729 -4.090 8.618) 9.922 3.682 ( -1.797 -3.144 0.739) 3.696 3.779 ( -12.513 7.247 6.589) 15.891 4.083 ( -3.066 1.363 10.326) 10.857 4.154 ( -20.967 13.026 9.099) 26.307 4.357 ( -7.123 -7.915 3.463) 11.198 5.024 ( -6.414 -1.251 -2.758) 7.093 5.147 ( -10.423 1.211 -3.283) 10.995 5.306 ( -10.366 4.293 -8.479) 14.063 5.614 ( -12.909 -4.749 -9.589) 16.767 5.712 ( -13.831 -6.508 -11.264) 18.988 6.089 ( -9.310 -5.007 -15.907) 19.099 6.617 ( -12.902 -5.145 13.725) 19.528 6.751 ( -11.451 9.640 8.180) 17.058 6.828 ( -11.246 -4.760 9.512) 15.479 7.089 ( -7.220 -3.649 -2.295) 8.409 7.815 ( -14.194 -0.398 -0.002) 14.199 7.906 ( -1.536 -7.003 -1.843) 7.402 8.780 ( 3.575 -6.374 1.047) 7.383 8.997 ( 1.467 1.161 -5.123) 5.454 10.181 ( -3.110 9.895 20.916) 23.347 10.819 ( 2.393 -2.366 4.480) 5.603 12.074 ( -1.902 -0.377 -5.615) 5.941 12.398 ( -1.299 22.084 -12.082) 25.206 12.702 ( 7.231 14.885 8.948) 18.813 13.491 ( 9.247 6.034 -4.780) 12.032 14.040 ( 7.566 -1.760 1.582) 7.928 14.398 ( 12.746 -11.936 -11.777) 21.062 14.759 ( 17.462 -4.956 1.178) 18.189 15.189 ( 10.436 -1.972 15.466) 18.762 15.329 ( 23.225 4.486 -10.173) 25.749 15.896 ( 7.540 3.703 -5.675) 10.138 16.407 ( 14.481 -1.623 5.396) 15.539 16.643 ( 18.087 4.530 -1.001) 18.673 18.263 ( -9.693 -13.354 0.872) 16.524 18.348 ( -3.405 -4.085 -0.640) 5.357 18.717 ( -12.778 -6.582 4.729) 15.132 19.154 ( -0.721 0.720 -6.171) 6.255 21.833 ( -16.730 0.802 5.332) 17.578 22.188 ( -5.721 1.896 -3.462) 6.950 22.955 ( -32.204 2.406 1.207) 32.316 23.119 ( -31.097 -1.562 -4.110) 31.407 23.344 ( -26.756 -0.811 6.474) 27.540 23.736 ( -16.122 -5.352 -4.383) 17.543 ======================= Grid point 197 (65/147) ======================= q-point: (-0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -15.268 13.894 4.985) 21.237 2.085 ( -13.596 17.745 9.189) 24.170 2.679 ( -11.598 4.766 -16.102) 20.409 2.849 ( -10.195 6.049 -14.542) 18.762 3.445 ( -14.260 2.008 10.029) 17.548 3.448 ( -16.992 5.566 15.941) 23.954 3.489 ( -16.597 7.572 13.501) 22.695 3.743 ( -2.863 1.426 2.663) 4.162 4.021 ( -3.094 -0.193 8.242) 8.806 4.306 ( -5.885 -9.659 0.434) 11.319 4.820 ( -14.757 -1.791 -4.869) 15.642 4.974 ( -12.396 1.572 -11.358) 16.886 5.079 ( -8.276 -3.147 -4.206) 9.803 5.278 ( -20.865 0.837 -18.066) 27.612 5.519 ( -11.941 -3.449 -3.499) 12.912 5.941 ( -9.258 -6.008 -12.775) 16.882 6.381 ( -14.886 -1.780 15.763) 21.754 6.426 ( -15.454 -0.169 9.160) 17.965 6.741 ( -1.385 1.072 5.753) 6.013 7.024 ( -3.279 -6.386 -3.475) 7.975 7.519 ( -15.500 1.149 3.200) 15.868 7.843 ( -9.543 -5.999 -4.359) 12.085 9.006 ( 14.302 -5.946 -0.143) 15.490 9.090 ( 8.148 -1.281 -2.770) 8.701 10.077 ( -1.446 6.236 27.281) 28.022 10.909 ( 1.864 -5.171 3.766) 6.663 11.921 ( 1.977 21.267 -4.713) 21.873 12.381 ( 13.117 22.213 -16.215) 30.470 12.914 ( 18.429 2.130 9.048) 20.640 13.663 ( 14.652 7.882 -4.796) 17.315 14.198 ( 8.954 1.338 3.813) 9.823 14.673 ( 10.087 -3.455 -14.784) 18.228 15.106 ( 14.048 -3.194 1.910) 14.533 15.382 ( 7.848 -6.337 12.656) 16.184 15.725 ( 18.296 4.917 -6.101) 19.903 16.059 ( 12.670 1.537 -4.218) 13.442 16.699 ( 13.684 -3.028 3.890) 14.545 16.916 ( 13.500 4.302 -1.261) 14.225 18.219 ( -6.842 -18.039 -0.407) 19.297 18.314 ( -6.454 -12.873 -1.391) 14.467 18.527 ( -11.054 -6.648 8.362) 15.373 19.128 ( -0.698 3.172 -7.701) 8.358 21.436 ( -25.252 -2.596 7.626) 26.506 22.019 ( -14.070 -0.233 -7.866) 16.122 22.267 ( -35.521 1.833 3.018) 35.696 22.465 ( -38.066 -3.551 -2.864) 38.338 22.797 ( -27.814 2.490 7.884) 29.017 23.443 ( -18.148 -5.700 -9.011) 21.049 ======================= Grid point 198 (66/147) ======================= q-point: (-0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -21.938 11.609 8.269) 26.161 1.674 ( -11.535 27.327 10.636) 31.511 2.452 ( -8.103 4.469 -19.398) 21.492 2.617 ( -10.710 12.030 -13.007) 20.703 2.689 ( -31.375 17.230 16.262) 39.315 3.234 ( -8.462 2.748 15.859) 18.184 3.375 ( -4.836 -4.547 15.851) 17.185 3.738 ( -0.598 -2.583 1.962) 3.298 3.957 ( -4.706 -1.075 5.423) 7.261 4.258 ( -5.547 -6.878 0.726) 8.866 4.529 ( -16.265 -2.034 -8.185) 18.322 4.673 ( -15.648 -2.878 -16.974) 23.265 4.849 ( -21.917 0.441 -14.517) 26.293 5.023 ( -2.824 -4.560 -0.455) 5.383 5.316 ( -8.812 3.010 -7.545) 11.985 5.841 ( -5.695 -5.434 -11.256) 13.735 6.067 ( -14.095 5.305 16.061) 22.018 6.228 ( -10.656 -10.647 11.943) 19.223 6.723 ( 1.166 4.526 3.125) 5.622 7.050 ( 0.123 -8.019 -4.461) 9.177 7.233 ( -12.527 2.137 5.643) 13.904 7.670 ( -11.122 -3.335 -5.786) 12.973 9.306 ( 11.813 -3.247 -0.330) 12.255 9.358 ( 16.338 -5.358 -1.630) 17.271 10.061 ( 3.464 -1.852 41.998) 42.181 10.906 ( -3.477 -0.067 6.377) 7.264 11.945 ( 14.488 21.019 -8.587) 26.934 12.549 ( 23.300 26.555 -9.496) 36.582 13.292 ( 18.927 -5.712 1.220) 19.808 13.953 ( 22.274 9.602 -5.656) 24.906 14.375 ( 10.120 0.023 6.914) 12.256 14.847 ( 7.717 1.506 -13.926) 15.992 15.273 ( 0.830 -0.004 3.296) 3.399 15.582 ( 5.846 -10.609 11.487) 16.694 15.955 ( 10.049 1.729 -3.646) 10.829 16.343 ( 15.467 -0.100 -7.213) 17.066 16.953 ( 9.272 -4.287 1.566) 10.335 17.103 ( 9.515 3.508 0.790) 10.171 18.217 ( -7.669 -14.522 -1.504) 16.491 18.254 ( -12.275 -15.346 -0.634) 19.661 18.490 ( 1.925 -12.742 8.837) 15.625 19.090 ( 2.014 7.457 -7.979) 11.105 20.920 ( -31.800 -8.187 8.373) 33.888 21.409 ( -41.115 2.130 -0.704) 41.176 21.731 ( -32.706 -8.402 -3.730) 33.973 21.803 ( -31.351 -5.272 -2.883) 31.922 22.345 ( -12.865 8.865 6.084) 16.766 23.138 ( -16.539 -1.499 -16.942) 23.724 ======================= Grid point 199 (67/147) ======================= q-point: (-0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -21.176 11.354 16.069) 28.906 1.249 ( -11.016 28.211 17.002) 34.732 1.852 ( -28.287 27.365 33.821) 51.892 2.349 ( -1.756 2.733 -22.079) 22.317 2.467 ( -2.605 10.395 -22.338) 24.775 3.109 ( -3.551 0.815 15.862) 16.275 3.353 ( -1.001 -5.438 17.714) 18.557 3.730 ( -2.752 -3.015 -1.894) 4.500 3.844 ( -6.463 1.092 4.118) 7.741 4.203 ( -3.858 -3.617 0.412) 5.304 4.265 ( -9.944 2.220 -18.824) 21.405 4.476 ( -11.154 -3.468 -13.800) 18.080 4.512 ( -10.438 -8.892 -3.941) 14.268 5.017 ( -1.206 -3.861 1.950) 4.491 5.154 ( -4.540 5.549 -12.080) 14.048 5.781 ( -5.092 1.991 4.969) 7.388 5.814 ( -6.569 -0.214 1.928) 6.849 6.172 ( -4.196 -12.813 9.824) 16.682 6.709 ( 1.638 7.016 3.007) 7.807 7.025 ( -7.106 2.112 7.754) 10.728 7.132 ( 1.748 -7.931 -5.032) 9.554 7.492 ( -8.299 -0.338 -5.723) 10.086 9.543 ( 9.004 -3.662 0.801) 9.753 9.661 ( 10.167 -5.078 -2.193) 11.574 10.399 ( 26.760 -26.489 71.660) 80.950 10.831 ( -1.564 4.881 9.786) 11.047 12.075 ( 13.926 17.268 -10.660) 24.612 12.857 ( 30.635 28.322 4.867) 42.004 13.706 ( 16.507 -9.322 -7.262) 20.300 14.366 ( 26.950 6.944 -7.121) 28.727 14.552 ( 5.227 -2.090 9.107) 10.707 14.953 ( 3.264 0.591 -10.763) 11.262 15.124 ( -21.598 -12.963 8.329) 26.531 15.727 ( 0.875 -10.326 4.908) 11.467 16.109 ( 6.239 -0.156 -3.451) 7.132 16.595 ( 9.710 -0.115 -11.999) 15.436 17.090 ( 1.683 -3.385 2.542) 4.555 17.218 ( 3.054 3.108 8.018) 9.126 18.023 ( -20.484 -12.984 -4.728) 24.709 18.223 ( 7.183 3.219 -0.966) 7.930 18.694 ( 5.766 -14.051 7.157) 16.790 19.183 ( 14.267 6.124 -8.718) 17.806 20.406 ( -28.948 -12.698 4.262) 31.897 20.600 ( -38.321 3.462 2.307) 38.546 21.159 ( -46.984 -18.068 -4.050) 50.502 21.259 ( -19.211 -7.943 -3.797) 21.132 22.135 ( -3.104 11.806 1.557) 12.306 22.803 ( -14.281 15.357 -29.204) 35.954 ======================= Grid point 200 (68/147) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 0.000 7.527 30.673) 31.583 0.910 ( 0.000 27.026 25.184) 36.941 1.320 ( 0.000 28.607 45.543) 53.783 2.324 ( 0.000 1.696 -22.712) 22.775 2.378 ( 0.000 7.536 -24.258) 25.402 3.072 ( 0.000 0.512 15.490) 15.499 3.400 ( -0.000 -6.458 19.891) 20.913 3.697 ( -0.000 -0.509 -5.420) 5.444 3.760 ( 0.000 1.215 0.735) 1.420 4.143 ( 0.000 4.044 -26.938) 27.240 4.186 ( -0.000 -1.981 2.682) 3.334 4.361 ( -0.000 -2.063 -1.663) 2.650 4.530 ( -0.000 -13.177 -6.360) 14.632 5.035 ( -0.000 -3.519 7.564) 8.342 5.059 ( 0.000 7.815 -17.005) 18.715 5.667 ( 0.000 4.915 20.083) 20.676 5.795 ( -0.000 -2.694 -12.340) 12.630 6.236 ( -0.000 -12.783 4.632) 13.597 6.671 ( 0.000 8.183 5.116) 9.651 6.942 ( 0.000 1.325 8.776) 8.876 7.207 ( -0.000 -5.986 -5.566) 8.174 7.394 ( 0.000 1.393 -3.712) 3.965 9.661 ( -0.000 -2.948 0.967) 3.103 9.795 ( -0.000 -3.856 -2.699) 4.706 10.774 ( 0.000 4.356 10.453) 11.324 11.277 ( -0.000 -66.119 52.419) 84.377 12.246 ( -0.000 -6.467 10.310) 12.170 13.463 ( 0.000 7.553 -12.804) 14.865 13.988 ( -0.000 -0.089 8.719) 8.719 14.353 ( -0.000 -29.710 21.933) 36.929 14.715 ( 0.000 0.051 2.848) 2.849 14.829 ( -0.000 -9.717 20.329) 22.532 14.959 ( -0.000 -0.007 -17.181) 17.181 15.800 ( -0.000 -10.402 -2.594) 10.721 16.173 ( 0.000 0.887 -5.550) 5.620 16.636 ( 0.000 16.954 -22.095) 27.850 17.130 ( 0.000 2.966 7.328) 7.906 17.132 ( -0.000 -0.065 20.000) 20.000 17.851 ( -0.000 -6.756 -9.453) 11.620 18.515 ( -0.000 -0.051 -18.186) 18.186 18.807 ( -0.000 -8.352 10.413) 13.348 19.365 ( 0.000 15.817 -18.484) 24.328 19.796 ( 0.000 0.040 10.809) 10.809 20.322 ( -0.000 -0.009 -4.210) 4.210 20.552 ( -0.000 -21.313 19.871) 29.140 21.133 ( -0.000 -6.802 -5.147) 8.530 22.020 ( 0.000 11.228 -0.934) 11.267 22.387 ( 0.000 46.692 -32.346) 56.801 ======================= Grid point 203 (69/147) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 24.124 -0.000 9.783) 26.032 2.224 ( 18.353 -0.000 8.694) 20.308 2.863 ( 12.613 -0.000 -13.691) 18.615 2.948 ( 15.528 -0.000 -22.437) 27.286 3.529 ( 7.360 -0.000 19.298) 20.654 3.686 ( -1.423 0.000 2.472) 2.852 3.693 ( 7.461 -0.000 10.905) 13.213 3.746 ( 22.204 -0.000 10.488) 24.556 4.055 ( 0.833 -0.000 6.039) 6.096 4.692 ( 7.808 -0.000 9.548) 12.334 4.930 ( 7.064 -0.000 -8.606) 11.134 5.145 ( 4.659 -0.000 -14.229) 14.972 5.241 ( 6.506 -0.000 -17.995) 19.135 5.664 ( 15.444 -0.000 -20.099) 25.347 6.052 ( 22.543 -0.000 6.476) 23.455 6.246 ( 10.420 -0.000 5.212) 11.651 6.438 ( 4.278 -0.000 6.494) 7.777 6.698 ( 13.283 -0.000 13.716) 19.093 7.037 ( 10.423 -0.000 -4.323) 11.283 7.100 ( 5.151 -0.000 -2.248) 5.620 7.813 ( 15.952 -0.000 4.494) 16.573 8.169 ( 1.174 -0.000 -5.221) 5.352 8.940 ( -2.462 0.000 -1.073) 2.685 8.942 ( -7.055 0.000 -1.098) 7.140 9.917 ( 0.122 -0.000 24.792) 24.792 10.906 ( -11.274 0.000 3.039) 11.677 11.624 ( 24.057 -0.000 0.618) 24.065 11.743 ( 6.758 -0.000 -10.648) 12.612 12.697 ( -16.034 0.000 2.490) 16.226 13.271 ( -6.422 0.000 -2.598) 6.928 14.093 ( -4.159 0.000 2.324) 4.764 14.663 ( -1.773 0.000 -20.812) 20.888 14.726 ( -14.299 0.000 4.951) 15.132 15.208 ( -24.485 0.000 -5.097) 25.010 15.420 ( -12.848 0.000 13.984) 18.990 15.917 ( -8.761 0.000 -5.206) 10.191 16.458 ( -15.440 0.000 2.517) 15.644 16.531 ( -17.244 0.000 0.703) 17.258 18.419 ( -3.580 0.000 3.149) 4.768 18.611 ( -1.133 0.000 -1.405) 1.805 18.914 ( 8.229 -0.000 0.408) 8.239 19.114 ( 4.004 -0.000 -5.084) 6.471 21.900 ( 13.620 -0.000 5.259) 14.600 22.225 ( 6.825 -0.000 -2.734) 7.352 22.877 ( 31.876 -0.000 1.391) 31.906 23.045 ( 27.237 -0.000 -3.224) 27.428 23.414 ( 29.553 -0.000 4.940) 29.963 23.826 ( 12.708 -0.000 -5.815) 13.975 ======================= Grid point 204 (70/147) ======================= q-point: ( 0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 20.605 -1.033 7.759) 22.042 2.536 ( 13.714 -1.138 7.662) 15.750 3.067 ( 8.562 0.386 -10.782) 13.774 3.228 ( 12.264 -1.050 -18.449) 22.178 3.570 ( -2.613 0.285 10.354) 10.682 3.737 ( 0.111 -0.169 3.755) 3.761 3.742 ( 5.051 -2.085 6.409) 8.422 4.079 ( 5.074 -1.101 4.194) 6.674 4.151 ( 13.142 -3.369 12.123) 18.194 4.797 ( 4.813 4.565 11.435) 13.220 5.061 ( 5.508 -2.845 -5.743) 8.451 5.206 ( 2.301 1.770 -11.660) 12.016 5.350 ( 3.996 -2.437 -16.471) 17.123 5.871 ( 6.373 -1.420 -17.677) 18.844 6.363 ( 8.056 8.356 5.745) 12.951 6.440 ( 12.673 3.577 5.764) 14.375 6.557 ( 7.145 -6.103 4.468) 10.405 6.945 ( 11.279 0.344 13.387) 17.508 7.093 ( 0.932 -2.125 -5.554) 6.019 7.322 ( 11.731 2.413 -1.372) 12.055 8.056 ( 8.549 0.048 -1.114) 8.622 8.084 ( -6.662 2.563 -2.238) 7.481 8.838 ( -4.846 -2.261 1.804) 5.644 9.003 ( 7.100 1.798 -1.913) 7.570 10.001 ( 7.782 -2.658 20.062) 21.682 10.811 ( 0.525 -0.093 2.416) 2.474 11.993 ( 16.320 -5.024 -9.841) 19.709 12.084 ( 20.497 -4.518 -2.593) 21.149 12.427 ( -10.942 1.115 6.207) 12.629 13.210 ( -0.290 -1.500 -3.060) 3.420 14.062 ( 0.456 0.616 2.913) 3.013 14.449 ( -14.720 0.110 3.153) 15.055 14.602 ( -5.991 5.269 -13.169) 15.397 14.705 ( -24.718 -2.148 -3.198) 25.016 15.161 ( -11.980 1.663 8.507) 14.787 15.787 ( -4.950 0.370 -8.773) 10.080 16.194 ( -11.801 0.823 2.502) 12.091 16.210 ( -14.603 -0.989 1.892) 14.758 18.378 ( -0.979 -0.161 3.200) 3.351 18.590 ( -0.717 1.520 -1.653) 2.358 19.026 ( 3.893 0.860 0.304) 3.999 19.168 ( 1.779 -0.065 -3.983) 4.363 22.107 ( 8.465 0.676 4.053) 9.410 22.339 ( 5.606 1.595 -1.756) 6.088 23.405 ( 22.375 -0.840 0.747) 22.403 23.511 ( 20.132 -1.745 -2.088) 20.315 23.851 ( 16.081 0.871 2.388) 16.281 24.016 ( 6.872 -0.134 -1.921) 7.137 ======================= Grid point 205 (71/147) ======================= q-point: ( 0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 13.110 3.440 5.667) 14.691 2.761 ( 8.789 -0.374 6.925) 11.195 3.183 ( 3.608 -0.487 -7.806) 8.613 3.406 ( 5.551 0.012 -13.561) 14.653 3.497 ( -3.991 0.451 6.655) 7.773 3.698 ( -2.136 0.585 -0.597) 2.294 3.873 ( 3.825 -5.939 6.232) 9.420 4.146 ( 2.013 -0.697 7.016) 7.332 4.399 ( 7.008 -8.380 6.460) 12.691 4.809 ( 1.304 8.106 11.058) 13.772 5.162 ( 1.878 -1.475 -5.076) 5.610 5.226 ( 1.118 -2.749 -6.310) 6.973 5.424 ( 0.954 -3.956 -13.994) 14.574 5.964 ( 1.902 -3.862 -15.586) 16.169 6.361 ( -0.432 8.239 2.077) 8.508 6.520 ( 3.147 15.945 1.377) 16.311 6.749 ( 4.504 -7.880 8.781) 12.629 7.095 ( 4.153 0.038 12.290) 12.972 7.132 ( -0.750 -7.750 -3.762) 8.647 7.459 ( 4.973 5.262 -1.438) 7.382 7.938 ( -5.070 5.033 -1.595) 7.320 8.137 ( -0.135 -1.818 -7.513) 7.731 8.776 ( -5.201 -5.580 6.711) 10.160 9.113 ( 5.284 3.248 -2.534) 6.701 10.230 ( 12.286 -3.529 19.087) 22.971 10.856 ( 2.238 0.598 3.664) 4.335 12.115 ( -10.574 2.601 -3.055) 11.310 12.421 ( 19.527 -8.160 -14.512) 25.661 12.578 ( 18.325 -9.719 6.592) 21.765 13.284 ( 6.480 -1.783 -3.850) 7.746 13.932 ( -21.218 -0.848 3.420) 21.508 14.160 ( -12.730 4.663 -1.269) 13.616 14.315 ( -1.259 7.840 -0.916) 7.993 14.513 ( -4.312 3.088 2.272) 5.771 15.006 ( -3.288 -1.241 -0.359) 3.533 15.713 ( -2.323 0.066 -11.138) 11.378 16.000 ( -5.176 0.361 3.634) 6.335 16.061 ( -2.507 0.555 1.663) 3.059 18.375 ( 0.089 -0.534 2.703) 2.757 18.549 ( -2.903 1.123 -1.277) 3.364 19.052 ( -0.826 0.211 0.546) 1.013 19.188 ( 0.372 0.046 -3.487) 3.507 22.217 ( 3.535 0.804 3.473) 5.020 22.410 ( 3.456 3.196 -1.394) 4.910 23.728 ( 9.971 -1.632 0.496) 10.116 23.820 ( 9.884 -2.548 -2.190) 10.440 24.018 ( 2.493 1.074 1.715) 3.211 24.083 ( -0.322 -0.448 -0.309) 0.632 ======================= Grid point 206 (72/147) ======================= q-point: ( 0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 5.156 7.741 3.932) 10.098 2.853 ( 1.678 3.989 5.047) 6.648 3.214 ( -1.449 -1.795 -3.116) 3.877 3.408 ( -3.725 0.738 -2.609) 4.608 3.462 ( -0.278 -0.619 -1.966) 2.080 3.667 ( -0.705 0.454 -3.493) 3.592 3.960 ( -0.210 -7.545 4.491) 8.783 4.161 ( -0.921 -0.528 6.701) 6.784 4.536 ( 0.157 -9.753 5.309) 11.106 4.722 ( -3.501 10.250 9.691) 14.534 5.146 ( -2.211 0.908 -4.137) 4.778 5.302 ( 0.293 -10.366 -2.153) 10.591 5.437 ( -2.573 -3.748 -11.745) 12.594 6.000 ( -1.837 -3.149 -16.119) 16.526 6.227 ( -6.996 9.101 0.090) 11.480 6.359 ( -5.096 18.313 -3.494) 19.327 6.804 ( -4.653 -7.736 11.676) 14.759 7.096 ( -4.345 -0.758 12.045) 12.827 7.165 ( -3.986 -11.354 -2.429) 12.276 7.425 ( -3.402 7.847 -0.451) 8.564 7.825 ( -2.095 5.808 -1.316) 6.314 8.108 ( -4.708 -4.037 -8.997) 10.928 8.706 ( -7.206 -7.751 7.797) 13.145 9.140 ( 0.169 3.613 -4.620) 5.868 10.451 ( 7.338 0.281 19.480) 20.818 10.849 ( -1.642 1.595 5.004) 5.503 11.898 ( -9.780 -2.577 0.566) 10.130 12.814 ( 14.464 -1.669 -19.685) 24.485 13.004 ( 16.259 -9.731 1.385) 18.999 13.454 ( 7.148 -6.555 -3.176) 10.205 13.501 ( -17.200 0.373 5.626) 18.100 13.852 ( -12.089 7.356 -6.024) 15.380 14.343 ( 8.398 10.228 4.622) 14.018 14.565 ( 12.179 2.396 5.465) 13.562 15.021 ( 2.571 -1.627 -2.207) 3.759 15.724 ( 3.733 -0.014 -10.606) 11.244 15.994 ( 4.813 1.442 4.548) 6.777 16.115 ( 9.253 1.709 0.530) 9.424 18.379 ( -0.345 -0.644 1.481) 1.651 18.451 ( -7.506 -1.015 -0.188) 7.576 18.989 ( -6.222 -1.397 1.371) 6.522 19.185 ( -0.571 0.015 -3.873) 3.915 22.227 ( -1.795 1.370 3.424) 4.102 22.419 ( 0.293 4.532 -1.399) 4.752 23.792 ( -5.279 -2.258 0.085) 5.743 23.865 ( -8.524 0.251 -2.321) 8.838 23.988 ( -4.343 -1.609 1.336) 4.821 24.006 ( -7.377 -1.207 0.744) 7.513 ======================= Grid point 207 (73/147) ======================= q-point: (-0.54 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -2.222 11.578 2.703) 12.095 2.775 ( -4.560 7.071 4.093) 9.357 3.147 ( -6.098 0.014 -2.633) 6.642 3.306 ( -6.631 1.489 -3.550) 7.668 3.459 ( -1.065 -2.514 0.992) 2.905 3.653 ( -1.413 -1.308 -3.413) 3.919 3.968 ( -4.772 -6.549 3.766) 8.935 4.125 ( -2.915 -0.903 5.998) 6.729 4.516 ( -8.211 6.368 8.804) 13.619 4.545 ( -7.279 -1.841 6.565) 9.973 5.085 ( -3.917 -0.533 -1.491) 4.225 5.357 ( -3.224 -5.190 -5.856) 8.463 5.383 ( -6.518 -9.276 -6.154) 12.900 5.824 ( -12.040 14.156 -5.443) 19.365 6.041 ( -10.251 0.253 -7.705) 12.827 6.127 ( -6.988 5.850 -14.484) 17.113 6.704 ( -11.232 -8.343 12.269) 18.609 6.958 ( -9.571 -0.786 13.284) 16.391 7.106 ( -10.610 -8.679 -3.089) 14.051 7.231 ( -9.812 7.801 1.993) 12.693 7.794 ( 1.523 1.104 -0.721) 2.015 8.008 ( -9.058 -3.327 -5.262) 10.991 8.638 ( -5.024 -8.301 5.245) 11.030 9.078 ( -3.366 2.910 -6.825) 8.147 10.463 ( -1.905 7.818 18.046) 19.758 10.803 ( -2.283 -0.167 5.648) 6.094 11.846 ( 0.671 -8.148 3.075) 8.735 12.871 ( -2.407 11.177 -14.851) 18.742 13.128 ( -4.689 12.041 -1.396) 12.997 13.413 ( 6.330 -0.162 1.037) 6.416 13.682 ( 9.465 -12.356 -3.838) 16.031 13.824 ( 11.186 -10.024 -4.975) 15.822 14.491 ( 13.606 8.777 4.379) 16.773 14.878 ( 20.322 1.816 8.097) 21.951 15.112 ( 7.117 0.334 -5.526) 9.017 15.834 ( 7.870 2.149 -10.108) 12.990 16.149 ( 11.999 1.829 6.979) 14.001 16.372 ( 18.287 3.213 -0.343) 18.571 18.275 ( -13.208 -5.882 1.049) 14.496 18.359 ( -2.893 -1.413 -1.044) 3.385 18.837 ( -11.220 -3.567 3.730) 12.351 19.171 ( -0.782 -0.066 -4.877) 4.939 22.121 ( -8.078 2.572 3.991) 9.370 22.356 ( -2.975 5.126 -1.886) 6.220 23.530 ( -22.434 0.962 -0.004) 22.454 23.574 ( -20.876 -2.189 -1.328) 21.032 23.756 ( -17.564 -0.477 2.232) 17.712 23.888 ( -11.423 -4.989 -1.128) 12.516 ======================= Grid point 208 (74/147) ======================= q-point: (-0.46 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -10.735 10.954 2.567) 15.550 2.602 ( -6.094 12.690 4.840) 14.886 2.986 ( -9.534 2.832 -6.982) 12.152 3.133 ( -9.190 3.128 -5.516) 11.166 3.442 ( -3.749 -4.088 6.552) 8.584 3.630 ( -2.766 -3.638 -2.800) 5.360 3.848 ( -10.446 0.742 4.645) 11.456 4.081 ( -3.038 -2.388 5.773) 6.947 4.264 ( -11.730 4.771 6.533) 14.249 4.347 ( -13.557 4.276 10.058) 17.414 5.002 ( -5.963 -1.544 -0.921) 6.228 5.176 ( -13.143 3.415 -7.511) 15.518 5.308 ( -12.412 -7.201 -1.071) 14.390 5.550 ( -6.770 2.887 -3.801) 8.283 5.739 ( -15.862 6.400 -15.962) 23.396 5.994 ( -10.343 -6.891 -15.913) 20.191 6.511 ( -15.391 -8.852 10.919) 20.844 6.790 ( -8.632 -0.888 13.134) 15.742 6.876 ( -13.080 4.033 0.421) 13.694 7.011 ( -10.370 -4.105 1.211) 11.218 7.794 ( -10.980 -2.520 -1.298) 11.340 7.836 ( -3.517 -2.347 -1.116) 4.373 8.678 ( 4.106 -7.312 2.525) 8.758 9.013 ( -0.572 1.052 -6.763) 6.868 10.332 ( -3.648 10.343 18.475) 21.486 10.784 ( 0.050 -2.360 5.212) 5.722 11.994 ( 6.285 -8.019 0.205) 10.190 12.719 ( -0.125 20.138 -13.657) 24.333 12.961 ( 4.756 18.013 4.611) 19.193 13.559 ( 9.643 3.024 -6.388) 11.955 13.986 ( 13.189 -6.382 -0.195) 14.653 14.214 ( 17.188 -12.263 -5.917) 21.927 14.716 ( 13.555 0.715 4.401) 14.270 15.162 ( 8.181 -2.282 11.552) 14.338 15.401 ( 24.534 4.977 -10.390) 27.104 15.981 ( 10.674 6.901 -8.630) 15.363 16.397 ( 14.107 0.824 8.087) 16.281 16.711 ( 18.697 4.606 -1.152) 19.291 18.056 ( -16.188 -14.179 1.602) 21.579 18.272 ( -9.470 -6.135 -5.127) 12.393 18.633 ( -12.353 -4.492 8.722) 15.775 19.160 ( -0.283 0.062 -6.304) 6.311 21.866 ( -16.491 3.497 5.556) 17.750 22.236 ( -5.824 4.449 -3.687) 8.204 22.986 ( -32.629 1.517 0.951) 32.678 23.076 ( -32.890 -3.616 -1.263) 33.112 23.338 ( -25.676 -0.289 3.744) 25.949 23.643 ( -17.946 -7.066 -3.578) 19.616 ======================= Grid point 209 (75/147) ======================= q-point: (-0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -16.308 11.629 3.424) 20.320 2.350 ( -9.006 16.446 6.789) 19.942 2.752 ( -11.242 4.764 -12.338) 17.358 2.931 ( -8.059 5.137 -8.097) 12.526 3.376 ( -5.975 -4.903 10.717) 13.213 3.553 ( -12.655 2.779 -0.732) 12.977 3.593 ( -9.774 3.948 9.232) 14.013 3.868 ( -17.178 15.455 9.096) 24.833 4.023 ( -4.429 0.308 10.505) 11.405 4.167 ( -6.127 -8.243 0.645) 10.290 4.787 ( -17.414 -1.394 -6.540) 18.654 4.975 ( -7.528 -1.783 1.103) 7.814 5.037 ( -16.974 -3.316 -3.145) 17.579 5.314 ( -18.819 4.670 -15.593) 24.882 5.491 ( -6.206 0.030 -11.327) 12.915 5.836 ( -10.622 -8.017 -13.247) 18.777 6.271 ( -15.478 -8.758 12.052) 21.483 6.500 ( -15.930 5.971 9.553) 19.511 6.758 ( -0.984 -0.254 4.448) 4.563 6.897 ( -6.676 -9.550 -0.414) 11.660 7.529 ( -14.749 0.018 2.124) 14.901 7.775 ( -6.887 -3.049 -3.162) 8.168 8.908 ( 13.468 -7.115 0.583) 15.243 9.073 ( 6.991 -1.049 -4.534) 8.398 10.185 ( -4.345 8.251 22.462) 24.321 10.838 ( 2.000 -4.554 4.697) 6.841 12.138 ( 8.141 6.269 -6.023) 11.910 12.667 ( 11.241 18.674 -15.436) 26.709 13.063 ( 17.329 16.429 8.967) 25.507 13.763 ( 15.629 5.386 -5.968) 17.575 14.234 ( 11.259 2.748 3.419) 12.083 14.601 ( 15.235 -5.976 -8.824) 18.593 15.003 ( 12.848 -7.930 4.394) 15.725 15.319 ( 6.151 -3.392 8.621) 11.121 15.804 ( 18.153 5.710 -6.004) 19.954 16.141 ( 13.096 9.118 -6.465) 17.217 16.656 ( 12.005 -2.492 5.446) 13.416 16.985 ( 13.129 4.981 -2.541) 14.270 17.925 ( -9.626 -21.107 0.715) 23.209 18.103 ( -14.753 -15.554 -5.152) 22.048 18.450 ( -9.931 -3.780 12.295) 16.251 19.158 ( 0.409 0.951 -8.351) 8.415 21.429 ( -27.061 1.600 7.986) 28.260 22.032 ( -16.233 1.735 -8.449) 18.382 22.294 ( -36.468 1.648 2.643) 36.601 22.402 ( -38.904 -4.456 0.687) 39.164 22.826 ( -25.356 1.140 5.145) 25.898 23.342 ( -18.063 -7.661 -7.002) 20.833 ======================= Grid point 210 (76/147) ======================= q-point: (-0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -20.807 12.906 4.817) 24.954 2.007 ( -13.833 17.884 12.357) 25.766 2.523 ( -7.924 4.910 -18.039) 20.306 2.763 ( -4.279 8.290 -12.234) 15.385 3.059 ( -23.621 29.552 14.805) 40.625 3.296 ( -8.992 3.273 14.802) 17.626 3.311 ( -5.663 -1.087 10.223) 11.737 3.688 ( -3.133 -3.464 -0.635) 4.713 3.940 ( -4.449 -1.276 10.101) 11.111 4.141 ( -4.267 -8.766 -1.475) 9.860 4.452 ( -19.204 -6.092 -5.422) 20.864 4.669 ( -17.125 -0.317 -7.814) 18.826 4.886 ( -20.415 5.125 -20.226) 29.192 4.939 ( -3.955 -6.246 5.464) 9.193 5.355 ( -7.379 1.743 -15.445) 17.206 5.740 ( -5.472 -7.822 -10.380) 14.102 6.075 ( -11.207 -8.722 13.916) 19.883 6.167 ( -13.307 6.902 13.434) 20.129 6.767 ( 1.493 0.703 1.973) 2.572 6.892 ( -2.519 -12.497 -2.120) 12.924 7.261 ( -12.060 1.514 4.379) 12.919 7.638 ( -8.215 -1.009 -4.301) 9.328 9.231 ( 12.440 -6.786 -0.465) 14.178 9.294 ( 14.503 -3.090 -3.008) 15.130 10.067 ( -2.525 2.463 32.645) 32.835 10.892 ( 0.803 -1.745 6.933) 7.194 12.256 ( 13.850 19.170 -10.611) 25.921 12.858 ( 20.020 12.786 -20.220) 31.195 13.314 ( 18.470 11.515 11.377) 24.559 14.085 ( 22.511 7.898 -4.447) 24.268 14.407 ( 10.529 4.487 8.416) 14.206 14.861 ( 9.558 0.266 -11.905) 15.269 15.214 ( -2.947 -7.491 2.914) 8.561 15.438 ( 3.687 -8.099 10.624) 13.859 15.968 ( 4.758 -0.122 0.242) 4.765 16.370 ( 13.093 3.500 -10.197) 16.960 16.882 ( 8.257 -5.106 0.882) 9.748 17.158 ( 9.337 3.560 -2.521) 10.306 17.961 ( -7.784 -19.941 -0.630) 21.416 18.038 ( -0.602 -12.523 -1.264) 12.601 18.337 ( -2.814 -8.259 12.644) 15.362 19.163 ( 1.835 2.586 -11.146) 11.588 20.830 ( -34.844 -3.559 10.233) 36.489 21.438 ( -39.545 1.532 -2.094) 39.630 21.621 ( -36.335 -6.345 -1.721) 36.924 21.751 ( -33.752 -2.064 -1.758) 33.861 22.450 ( -10.452 5.159 5.148) 12.742 23.092 ( -12.271 -4.321 -11.381) 17.285 ======================= Grid point 211 (77/147) ======================= q-point: (-0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -21.474 13.056 11.239) 27.530 1.569 ( -16.745 17.458 22.995) 33.376 2.391 ( -3.894 14.279 -13.342) 19.926 2.420 ( -11.034 34.473 10.239) 37.617 2.638 ( -1.295 11.953 -17.074) 20.882 3.130 ( -4.192 2.344 14.396) 15.176 3.277 ( -2.049 -4.357 14.290) 15.080 3.671 ( -2.005 -5.091 -3.837) 6.683 3.851 ( -6.331 -0.167 6.158) 8.833 4.125 ( -2.930 -7.429 -0.345) 7.993 4.208 ( -10.316 -8.924 -1.952) 13.780 4.412 ( -10.520 -3.450 -6.328) 12.752 4.504 ( -13.309 6.056 -23.777) 27.913 4.934 ( -1.858 -6.736 6.538) 9.569 5.217 ( -4.753 1.994 -19.512) 20.181 5.722 ( -2.159 -5.962 -11.393) 13.039 5.899 ( -7.851 7.506 17.768) 20.825 5.993 ( -5.172 -10.456 14.527) 18.631 6.789 ( 2.013 3.406 0.692) 4.017 6.973 ( 0.402 -13.445 -3.533) 13.907 7.060 ( -7.122 2.370 6.650) 10.029 7.498 ( -5.813 1.149 -4.494) 7.437 9.474 ( 8.231 -5.554 0.204) 9.931 9.582 ( 10.018 -5.042 -2.354) 11.459 10.135 ( 8.587 -10.550 52.509) 54.242 10.896 ( 0.447 3.429 10.525) 11.078 12.349 ( 10.328 19.773 -12.054) 25.357 13.199 ( 24.501 14.158 -15.195) 32.119 13.609 ( 17.425 0.402 5.194) 18.187 14.466 ( 20.051 5.167 -1.827) 20.787 14.548 ( 3.044 2.744 9.750) 10.577 14.926 ( -19.686 -7.655 3.362) 21.388 14.991 ( -2.978 -1.533 -5.809) 6.706 15.570 ( 0.472 -10.027 1.934) 10.222 16.077 ( 4.224 -4.365 1.610) 6.284 16.542 ( 5.102 -7.031 -10.549) 13.666 17.040 ( 4.777 -3.475 0.603) 5.938 17.270 ( 1.834 3.950 7.930) 9.047 17.830 ( -14.621 -12.421 -6.433) 20.235 18.229 ( 15.270 -3.443 -2.048) 15.786 18.549 ( 14.237 -3.998 7.504) 16.583 19.239 ( 9.491 0.984 -13.738) 16.727 20.233 ( -29.464 -9.127 10.714) 32.653 20.658 ( -36.964 3.996 2.022) 37.234 20.999 ( -42.482 -6.182 -3.311) 43.057 21.145 ( -20.965 -7.256 -1.906) 22.267 22.290 ( -2.678 8.523 2.934) 9.403 22.931 ( -5.495 3.572 -17.402) 18.596 ======================= Grid point 212 (78/147) ======================= q-point: (-0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.000 11.573 25.150) 27.684 1.235 ( 0.000 19.490 30.460) 36.161 1.935 ( 0.000 49.329 21.104) 53.654 2.361 ( 0.000 3.168 -22.131) 22.357 2.533 ( 0.000 12.693 -20.099) 23.771 3.084 ( 0.000 1.055 15.026) 15.063 3.298 ( -0.000 -6.526 15.118) 16.466 3.686 ( -0.000 -0.896 -5.253) 5.329 3.759 ( -0.000 -1.835 2.363) 2.992 4.143 ( -0.000 -3.787 2.610) 4.600 4.180 ( -0.000 -4.114 -10.195) 10.994 4.317 ( -0.000 -3.876 -1.718) 4.240 4.365 ( -0.000 -3.263 -20.290) 20.550 4.963 ( -0.000 -6.075 7.973) 10.024 5.152 ( 0.000 3.992 -20.944) 21.321 5.739 ( -0.000 -4.646 -12.217) 13.071 5.763 ( 0.000 7.730 19.330) 20.819 6.037 ( -0.000 -13.236 12.966) 18.529 6.779 ( 0.000 5.819 0.391) 5.832 6.969 ( 0.000 2.235 8.551) 8.838 7.077 ( -0.000 -11.649 -4.643) 12.540 7.422 ( 0.000 2.310 -3.792) 4.440 9.600 ( -0.000 -5.221 0.607) 5.256 9.721 ( -0.000 -5.650 -1.753) 5.915 10.471 ( -0.000 -34.978 70.866) 79.028 10.867 ( 0.000 5.305 12.846) 13.898 12.342 ( 0.000 14.004 -7.776) 16.018 13.539 ( 0.000 1.117 -22.027) 22.055 13.986 ( -0.000 -0.158 8.739) 8.740 14.093 ( -0.000 -6.237 22.055) 22.920 14.720 ( 0.000 0.589 7.607) 7.630 14.815 ( 0.000 2.888 9.177) 9.621 14.959 ( -0.000 -0.012 -17.210) 17.210 15.629 ( -0.000 -11.626 -7.591) 13.885 16.155 ( -0.000 -3.491 0.702) 3.561 16.677 ( -0.000 -6.768 -10.324) 12.344 17.131 ( -0.000 -0.115 20.019) 20.019 17.161 ( 0.000 0.458 2.205) 2.252 17.748 ( -0.000 -6.027 -11.177) 12.699 18.514 ( -0.000 -0.090 -18.170) 18.171 18.724 ( -0.000 -3.509 9.284) 9.925 19.495 ( 0.000 2.783 -20.319) 20.509 19.797 ( 0.000 0.070 10.782) 10.782 20.322 ( -0.000 -0.016 -4.203) 4.203 20.379 ( -0.000 -4.336 18.424) 18.927 21.016 ( -0.000 -8.548 -4.562) 9.689 22.194 ( 0.000 10.971 1.651) 11.094 22.808 ( 0.000 14.533 -24.412) 28.411 ======================= Grid point 217 (79/147) ======================= q-point: ( 0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 15.530 -0.000 6.278) 16.751 2.753 ( 9.283 -0.000 6.155) 11.138 3.181 ( 3.158 -0.000 -7.662) 8.288 3.405 ( 5.872 -0.000 -14.554) 15.694 3.501 ( -4.177 0.000 7.174) 8.301 3.703 ( -1.964 0.000 -0.919) 2.168 3.825 ( 3.474 -0.000 7.234) 8.025 4.140 ( 2.140 -0.000 6.871) 7.197 4.334 ( 6.767 -0.000 6.538) 9.410 4.876 ( 1.536 -0.000 14.304) 14.386 5.132 ( 2.918 -0.000 -5.511) 6.236 5.232 ( -0.624 0.000 -9.672) 9.692 5.383 ( 0.764 -0.000 -16.553) 16.570 5.931 ( 1.398 -0.000 -12.287) 12.367 6.444 ( -0.687 0.000 5.831) 5.872 6.663 ( 6.377 -0.000 5.006) 8.107 6.663 ( 4.923 -0.000 3.787) 6.211 7.057 ( -4.113 0.000 -5.675) 7.008 7.098 ( 4.116 -0.000 12.677) 13.328 7.500 ( 5.435 -0.000 -2.985) 6.201 7.979 ( -4.477 0.000 -2.732) 5.245 8.120 ( -1.528 0.000 -7.696) 7.846 8.731 ( -5.623 0.000 8.661) 10.326 9.137 ( 5.077 -0.000 -3.006) 5.900 10.202 ( 13.222 -0.000 19.292) 23.388 10.861 ( 2.775 -0.000 3.316) 4.324 12.137 ( -12.908 0.000 -3.064) 13.267 12.357 ( 22.251 -0.000 -14.164) 26.376 12.504 ( 18.140 -0.000 7.788) 19.741 13.272 ( 6.437 -0.000 -5.100) 8.212 13.924 ( -20.778 0.000 4.330) 21.224 14.197 ( -12.051 0.000 -0.813) 12.078 14.373 ( 0.363 -0.000 -0.407) 0.545 14.538 ( -5.331 0.000 1.378) 5.506 14.997 ( -4.088 0.000 -1.030) 4.216 15.714 ( -2.562 0.000 -11.562) 11.842 16.003 ( -4.788 0.000 3.767) 6.092 16.065 ( -2.212 0.000 1.753) 2.823 18.370 ( 0.076 -0.000 2.837) 2.838 18.558 ( -3.546 0.000 -1.446) 3.829 19.053 ( -1.356 0.000 0.551) 1.464 19.188 ( 0.382 -0.000 -3.557) 3.577 22.224 ( 3.579 -0.000 3.728) 5.168 22.436 ( 3.629 -0.000 -1.611) 3.970 23.716 ( 9.940 -0.000 0.497) 9.952 23.800 ( 10.152 -0.000 -1.850) 10.319 24.027 ( 2.197 -0.000 1.380) 2.594 24.079 ( -0.381 0.000 -0.253) 0.457 ======================= Grid point 218 (80/147) ======================= q-point: ( 0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 6.243 4.457 3.696) 8.515 2.898 ( 5.541 1.428 4.711) 7.412 3.190 ( -2.246 -1.048 -3.425) 4.228 3.419 ( -3.889 0.663 2.937) 4.918 3.450 ( -0.961 -0.837 -6.139) 6.270 3.679 ( -0.650 0.825 -5.600) 5.698 3.869 ( -0.570 -3.893 6.064) 7.229 4.154 ( -0.841 -0.304 7.272) 7.327 4.422 ( 1.019 -4.498 4.665) 6.561 4.848 ( -2.706 5.437 13.790) 15.068 5.160 ( -1.577 -0.069 -5.543) 5.763 5.195 ( -2.277 -2.991 -6.440) 7.457 5.384 ( -1.894 -2.845 -14.937) 15.323 5.937 ( -1.953 -2.929 -10.623) 11.191 6.365 ( -5.048 7.191 1.567) 8.924 6.626 ( -4.177 15.175 2.275) 15.903 6.690 ( -5.851 -6.142 6.731) 10.829 6.973 ( -7.947 -11.822 -2.901) 14.537 7.100 ( -3.603 -0.068 12.188) 12.710 7.516 ( -2.653 3.642 -2.863) 5.338 7.905 ( -2.271 4.181 -4.077) 6.265 8.046 ( -6.130 -3.638 -9.921) 12.216 8.617 ( -7.385 -3.481 11.597) 14.182 9.178 ( -0.439 1.337 -5.596) 5.770 10.449 ( 10.633 -0.213 19.950) 22.608 10.869 ( -1.771 0.821 4.692) 5.082 11.873 ( -12.630 -0.874 1.355) 12.733 12.794 ( 20.958 -0.367 -18.051) 27.663 12.879 ( 18.447 -5.711 2.908) 19.529 13.402 ( 5.405 -1.175 -9.012) 10.574 13.492 ( -18.758 -0.842 6.504) 19.872 13.945 ( -13.104 3.780 -3.754) 14.145 14.480 ( 9.095 7.836 5.431) 13.176 14.563 ( 10.364 -2.943 6.836) 12.759 15.003 ( 3.360 -0.676 -4.833) 5.925 15.721 ( 3.759 -0.227 -10.922) 11.553 16.014 ( 5.703 0.906 4.351) 7.230 16.133 ( 9.765 0.658 0.554) 9.803 18.371 ( -0.412 -0.306 1.425) 1.515 18.441 ( -9.093 -0.326 -0.208) 9.101 18.973 ( -7.145 -0.571 1.616) 7.348 19.185 ( -0.607 0.013 -4.123) 4.168 22.244 ( -1.312 0.702 3.902) 4.177 22.471 ( 0.647 2.060 -1.801) 2.812 23.768 ( -5.280 -0.917 0.356) 5.371 23.860 ( -6.385 -0.514 -2.935) 7.046 23.970 ( -5.902 -0.516 2.129) 6.296 23.996 ( -8.544 -0.351 0.443) 8.563 ======================= Grid point 219 (81/147) ======================= q-point: (-0.62 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -3.890 6.966 1.933) 8.209 2.892 ( 0.503 8.186 1.277) 8.300 3.132 ( -4.806 -1.678 1.155) 5.220 3.326 ( -5.712 1.083 0.927) 5.887 3.422 ( -2.590 -2.372 -1.787) 3.941 3.646 ( -2.473 0.497 -6.489) 6.962 3.859 ( -4.624 -7.037 4.120) 9.374 4.116 ( -3.316 -0.474 6.852) 7.627 4.440 ( -3.445 -6.132 5.641) 9.016 4.680 ( -8.883 9.848 10.476) 16.901 5.083 ( -4.776 0.265 -2.928) 5.608 5.196 ( -4.130 -9.441 -4.236) 11.142 5.349 ( -3.362 -1.703 -12.627) 13.177 5.884 ( -7.404 -4.625 -11.757) 14.643 6.122 ( -12.372 13.235 0.192) 18.119 6.338 ( -10.770 17.979 -4.130) 21.361 6.560 ( -13.314 -10.830 7.917) 18.900 6.889 ( -11.711 -13.414 2.211) 17.944 6.983 ( -8.799 -2.011 9.435) 13.057 7.351 ( -9.843 6.948 -1.304) 12.119 7.834 ( -1.566 3.604 -3.782) 5.454 7.949 ( -7.911 -4.367 -6.144) 10.927 8.527 ( -4.503 -6.047 9.080) 11.802 9.113 ( -4.423 1.689 -8.007) 9.302 10.554 ( 1.466 4.334 18.290) 18.853 10.804 ( -3.719 0.289 5.182) 6.384 11.748 ( -1.314 -4.851 5.323) 7.321 13.010 ( 2.087 7.871 -11.436) 14.039 13.203 ( 6.791 -1.364 -10.452) 12.539 13.388 ( 9.578 -2.477 7.222) 12.249 13.540 ( 7.322 -6.355 -10.631) 14.388 13.758 ( 1.856 0.265 0.093) 1.877 14.636 ( 12.654 10.108 6.937) 17.619 14.863 ( 15.794 -3.839 10.253) 19.217 15.125 ( 10.829 1.109 -9.815) 14.657 15.851 ( 9.291 0.240 -11.060) 14.447 16.189 ( 13.397 2.971 7.031) 15.418 16.411 ( 18.929 1.874 -0.287) 19.024 18.205 ( -17.055 -3.485 1.317) 17.458 18.339 ( -4.317 -1.124 -2.402) 5.067 18.795 ( -11.971 -2.057 5.010) 13.139 19.170 ( -0.849 -0.043 -5.122) 5.192 22.157 ( -6.985 2.059 4.507) 8.564 22.428 ( -2.804 4.032 -2.262) 5.407 23.520 ( -21.484 -1.585 0.227) 21.544 23.564 ( -22.280 0.290 -0.993) 22.304 23.749 ( -17.656 -0.473 1.164) 17.701 23.821 ( -12.811 -3.577 -0.411) 13.307 ======================= Grid point 220 (82/147) ======================= q-point: (-0.54 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( -10.730 9.218 0.952) 14.178 2.784 ( -4.375 11.194 1.507) 12.112 3.014 ( -8.087 1.108 -2.024) 8.410 3.177 ( -7.996 2.681 -0.110) 8.434 3.383 ( -4.345 -3.825 4.226) 7.167 3.584 ( -4.203 -2.250 -6.146) 7.778 3.794 ( -7.644 -6.752 2.596) 10.524 4.047 ( -4.221 -1.539 4.509) 6.365 4.361 ( -8.589 -0.665 9.577) 12.881 4.386 ( -13.023 9.067 7.969) 17.757 4.983 ( -6.066 -0.984 -0.370) 6.157 5.130 ( -11.650 -10.353 -5.736) 16.607 5.266 ( -6.454 3.540 -6.970) 10.138 5.659 ( -13.411 6.862 -8.716) 17.404 5.799 ( -14.405 1.723 -3.820) 15.002 5.991 ( -13.382 9.895 -9.812) 19.320 6.364 ( -15.409 -11.001 5.897) 19.830 6.744 ( -12.409 -12.695 1.296) 17.800 6.804 ( -10.788 -1.761 8.831) 14.052 7.073 ( -12.299 7.526 1.954) 14.550 7.754 ( -10.458 -2.808 -1.882) 10.990 7.821 ( -3.794 0.054 -1.868) 4.230 8.573 ( 5.017 -6.413 4.513) 9.309 9.028 ( -2.082 0.866 -8.050) 8.360 10.478 ( -3.206 9.142 16.007) 18.710 10.748 ( -2.316 -2.638 5.940) 6.900 11.877 ( 8.682 -7.122 4.783) 12.206 12.973 ( 4.006 14.145 -12.257) 19.141 13.186 ( 3.366 11.150 -1.648) 11.763 13.587 ( 10.330 1.404 -9.719) 14.252 13.859 ( 17.072 -9.693 -0.259) 19.633 14.061 ( 20.579 -7.896 -0.430) 22.046 14.785 ( 9.989 7.743 8.141) 15.034 15.115 ( 7.950 -4.135 9.129) 12.792 15.468 ( 24.904 3.862 -10.693) 27.376 16.062 ( 13.799 3.329 -11.613) 18.340 16.447 ( 15.608 5.885 9.738) 19.315 16.773 ( 19.481 3.532 -0.847) 19.817 17.859 ( -23.429 -12.000 2.171) 26.413 18.178 ( -15.966 -5.988 -8.623) 19.108 18.585 ( -10.555 -2.172 11.424) 15.705 19.158 ( -0.404 -0.252 -6.310) 6.328 21.925 ( -15.580 4.086 5.842) 17.133 22.308 ( -6.353 4.781 -3.792) 8.809 22.988 ( -34.003 -1.543 1.353) 34.065 23.037 ( -32.667 -0.921 -0.013) 32.680 23.332 ( -25.657 -0.622 1.720) 25.722 23.539 ( -19.364 -6.467 -2.808) 20.608 ======================= Grid point 221 (83/147) ======================= q-point: (-0.46 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -15.675 10.564 1.004) 18.929 2.563 ( -9.546 12.576 4.973) 16.554 2.811 ( -10.882 3.102 -7.610) 13.636 3.002 ( -6.883 4.429 -1.964) 8.417 3.309 ( -5.883 -4.148 8.697) 11.289 3.523 ( -5.298 -3.853 -7.215) 9.745 3.648 ( -9.795 0.931 5.019) 11.045 3.993 ( -3.642 -3.876 1.641) 5.566 4.062 ( -13.613 6.918 6.721) 16.683 4.146 ( -10.698 6.705 13.400) 18.411 4.792 ( -18.455 0.879 -8.409) 20.300 4.930 ( -9.888 -5.469 3.857) 11.940 5.009 ( -15.033 3.976 -0.095) 15.550 5.391 ( -17.159 3.259 -11.848) 21.105 5.516 ( -7.962 3.316 -13.287) 15.841 5.734 ( -10.880 -3.688 -7.512) 13.727 6.144 ( -14.272 -8.385 6.384) 17.741 6.559 ( -14.839 -3.184 0.186) 15.178 6.650 ( -7.593 -7.939 6.193) 12.611 6.849 ( -5.573 1.759 4.870) 7.607 7.519 ( -13.828 -1.285 2.113) 14.048 7.749 ( -5.255 -0.711 -2.874) 6.031 8.805 ( 13.242 -6.529 1.446) 14.835 9.060 ( 5.903 -0.718 -6.120) 8.533 10.314 ( -6.640 8.862 17.446) 20.664 10.772 ( 1.821 -4.484 6.452) 8.065 12.139 ( 13.903 -3.673 -2.319) 14.565 12.950 ( 7.221 18.493 -15.731) 25.330 13.305 ( 17.366 13.970 5.789) 23.027 13.826 ( 17.288 3.725 -8.798) 19.752 14.233 ( 15.304 -3.944 1.818) 15.908 14.520 ( 20.426 -4.473 -2.244) 21.030 14.938 ( 9.885 0.254 7.480) 12.398 15.272 ( 5.624 -2.958 6.124) 8.825 15.889 ( 18.510 5.656 -5.583) 20.144 16.292 ( 13.448 9.654 -9.606) 19.139 16.646 ( 8.257 2.313 7.694) 11.521 17.058 ( 12.370 4.828 -3.275) 13.677 17.611 ( -10.829 -21.101 1.658) 23.775 17.873 ( -19.857 -15.053 -7.748) 26.094 18.409 ( -10.342 -1.920 13.838) 17.382 19.160 ( 0.260 -0.542 -8.453) 8.475 21.476 ( -28.234 4.260 8.140) 29.692 22.061 ( -21.235 1.912 -8.354) 22.899 22.311 ( -34.575 0.366 3.261) 34.730 22.348 ( -38.321 -2.284 2.316) 38.458 22.827 ( -24.982 -0.821 2.945) 25.168 23.228 ( -17.122 -7.407 -5.791) 19.534 ======================= Grid point 222 (84/147) ======================= q-point: (-0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -20.705 11.608 1.747) 23.802 2.228 ( -15.546 12.990 14.009) 24.631 2.589 ( -8.296 3.956 -14.856) 17.469 2.866 ( -3.069 5.932 -5.132) 8.423 3.245 ( -3.624 -3.809 11.013) 12.204 3.362 ( -9.682 7.823 -1.117) 12.498 3.463 ( -6.901 9.655 6.021) 13.308 3.720 ( -10.479 12.813 3.711) 16.963 3.926 ( -5.244 0.257 14.403) 15.330 4.013 ( -3.671 -7.743 -1.678) 8.732 4.383 ( -21.883 -2.860 -5.942) 22.855 4.652 ( -18.479 -0.773 -1.965) 18.599 4.853 ( -4.635 -4.894 7.355) 9.976 4.986 ( -18.522 6.970 -18.305) 26.958 5.351 ( -10.546 -2.637 -16.507) 19.765 5.635 ( -3.583 -5.184 -6.670) 9.176 5.965 ( -9.605 -5.987 8.557) 14.189 6.272 ( -12.392 6.331 8.350) 16.229 6.627 ( -4.392 -16.789 0.153) 17.354 6.808 ( 0.010 -1.050 2.750) 2.944 7.275 ( -11.388 0.430 4.368) 12.205 7.635 ( -6.300 0.368 -3.743) 7.338 9.126 ( 13.450 -7.000 -0.099) 15.163 9.257 ( 12.779 -2.197 -4.775) 13.818 10.124 ( -6.445 5.016 24.930) 26.233 10.857 ( 3.535 -2.825 8.302) 9.456 12.443 ( 17.065 5.130 -12.511) 21.773 13.002 ( 10.286 10.795 -18.322) 23.623 13.572 ( 21.461 19.104 10.130) 30.465 14.180 ( 21.830 5.401 -3.964) 22.835 14.486 ( 11.940 4.313 7.187) 14.588 14.859 ( 12.651 -0.061 -7.621) 14.770 15.095 ( -3.593 -6.814 3.707) 8.549 15.356 ( 2.479 -2.883 8.975) 9.747 15.946 ( -5.374 -3.104 3.967) 7.366 16.435 ( 4.755 5.075 -12.049) 13.912 16.809 ( 7.642 -4.540 0.260) 8.893 17.192 ( 7.917 0.189 -8.830) 11.861 17.682 ( -0.979 -16.230 4.812) 16.957 17.885 ( 10.471 -8.153 -3.311) 13.678 18.235 ( -5.414 -5.780 14.122) 16.191 19.173 ( 0.572 -0.842 -13.025) 13.065 20.814 ( -37.006 0.988 11.550) 38.780 21.444 ( -36.519 -1.019 -3.527) 36.703 21.550 ( -40.980 -3.002 2.426) 41.161 21.737 ( -34.565 -0.015 -1.805) 34.612 22.494 ( -9.624 0.824 3.874) 10.407 23.023 ( -8.713 -4.601 -8.750) 13.177 ======================= Grid point 223 (85/147) ======================= q-point: (-0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -22.386 11.640 8.825) 26.730 1.812 ( -14.664 16.067 22.513) 31.305 2.460 ( -2.187 4.302 -19.914) 20.491 2.793 ( 0.278 8.450 -10.179) 13.232 3.066 ( -4.814 37.663 6.627) 38.543 3.182 ( -5.478 3.648 13.602) 15.111 3.257 ( -1.364 6.224 9.685) 11.593 3.585 ( -2.062 -5.513 -4.665) 7.510 3.841 ( -6.429 -1.015 7.700) 10.082 3.987 ( -6.738 -9.760 -1.181) 11.919 4.090 ( -8.544 -6.943 1.357) 11.093 4.354 ( -13.231 -4.086 -1.550) 13.934 4.632 ( -11.023 9.380 -25.160) 29.026 4.832 ( -2.106 -6.721 7.958) 10.627 5.194 ( -7.554 -5.159 -18.280) 20.441 5.634 ( -1.126 -5.407 -9.963) 11.391 5.868 ( -4.756 -5.176 12.664) 14.484 6.027 ( -6.961 8.365 13.165) 17.080 6.715 ( -0.310 -17.492 -1.798) 17.587 6.832 ( 1.219 -1.332 0.359) 1.841 7.091 ( -6.696 1.806 6.400) 9.437 7.521 ( -4.369 1.749 -4.077) 6.226 9.385 ( 8.101 -6.339 -0.096) 10.287 9.519 ( 9.993 -3.655 -4.270) 11.465 10.050 ( 0.942 -2.030 38.756) 38.821 10.926 ( 2.486 0.752 11.666) 11.952 12.630 ( 9.649 16.768 -15.614) 24.861 13.227 ( 14.558 -4.596 -25.117) 29.393 13.790 ( 16.147 19.520 12.386) 28.198 14.503 ( 6.769 1.101 7.595) 10.233 14.618 ( -0.252 3.595 5.390) 6.484 14.817 ( -9.391 -4.983 8.441) 13.575 15.004 ( 1.869 2.261 -11.836) 12.194 15.459 ( 1.729 -4.174 0.640) 4.563 15.978 ( 2.221 -8.971 4.609) 10.327 16.399 ( -4.591 -11.962 -10.427) 16.519 16.986 ( 6.719 -3.844 0.681) 7.771 17.331 ( -1.240 4.246 8.460) 9.546 17.673 ( -5.886 -8.611 -8.758) 13.620 18.147 ( 18.981 -6.049 4.603) 20.446 18.556 ( 25.272 3.173 -0.297) 25.472 19.216 ( 4.516 -3.703 -18.234) 19.147 20.148 ( -29.436 -2.872 15.783) 33.524 20.708 ( -36.017 2.416 2.878) 36.213 20.926 ( -36.433 -4.414 -3.858) 36.902 21.060 ( -25.483 -3.877 1.155) 25.802 22.375 ( -2.736 3.002 3.044) 5.075 22.947 ( -2.018 -0.456 -11.964) 12.142 ======================= Grid point 224 (86/147) ======================= q-point: (-0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.000 12.346 20.422) 23.864 1.520 ( 0.000 19.313 26.347) 32.667 2.415 ( 0.000 4.134 -21.332) 21.728 2.676 ( 0.000 47.191 8.704) 47.987 2.727 ( 0.000 15.015 -13.197) 19.990 3.103 ( 0.000 1.633 14.324) 14.417 3.233 ( -0.000 -1.265 11.331) 11.401 3.672 ( -0.000 -1.043 -5.005) 5.113 3.697 ( -0.000 -6.771 -1.677) 6.976 4.016 ( -0.000 -12.819 7.714) 14.961 4.076 ( -0.000 -5.193 2.555) 5.788 4.249 ( -0.000 -5.152 -1.824) 5.466 4.452 ( 0.000 9.984 -29.396) 31.045 4.864 ( -0.000 -7.068 8.549) 11.092 5.157 ( -0.000 -3.723 -21.497) 21.817 5.664 ( -0.000 -5.407 -12.088) 13.242 5.860 ( -0.000 -3.426 17.992) 18.316 5.902 ( 0.000 4.462 14.345) 15.023 6.819 ( -0.000 -4.563 -2.746) 5.326 6.878 ( -0.000 -11.141 -1.741) 11.276 7.005 ( 0.000 2.526 8.278) 8.654 7.458 ( 0.000 2.563 -3.888) 4.657 9.513 ( -0.000 -6.290 0.231) 6.294 9.645 ( -0.000 -4.319 -1.869) 4.707 10.148 ( -0.000 -12.168 51.625) 53.040 10.934 ( 0.000 3.369 13.147) 13.572 12.590 ( 0.000 18.271 -13.178) 22.528 13.470 ( -0.000 -9.221 -27.706) 29.200 13.984 ( -0.000 -0.191 8.767) 8.769 14.141 ( 0.000 10.853 20.064) 22.811 14.731 ( 0.000 1.012 9.771) 9.823 14.873 ( 0.000 4.225 7.626) 8.718 14.959 ( -0.000 -0.015 -17.250) 17.250 15.488 ( -0.000 -6.583 -10.197) 12.138 16.071 ( -0.000 -7.716 4.494) 8.929 16.501 ( -0.000 -15.848 -5.347) 16.725 17.129 ( -0.000 -0.138 20.046) 20.047 17.136 ( -0.000 -3.494 1.557) 3.825 17.697 ( -0.000 -0.850 -13.183) 13.211 18.512 ( -0.000 -0.109 -18.148) 18.148 18.700 ( 0.000 0.178 7.316) 7.318 19.482 ( -0.000 -3.356 -17.156) 17.481 19.798 ( 0.000 0.084 10.743) 10.743 20.321 ( -0.000 -0.019 -4.192) 4.192 20.364 ( 0.000 0.343 15.619) 15.623 20.897 ( -0.000 -7.100 -1.355) 7.228 22.319 ( 0.000 5.700 2.626) 6.276 22.921 ( 0.000 3.114 -15.373) 15.685 ======================= Grid point 231 (87/147) ======================= q-point: (-0.69 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 0.767 -0.000 1.127) 1.363 2.950 ( -3.424 0.000 -0.574) 3.472 3.116 ( -3.628 0.000 3.818) 5.267 3.335 ( -5.488 0.000 3.469) 6.492 3.400 ( -3.356 0.000 -3.582) 4.909 3.657 ( -2.551 0.000 -9.511) 9.848 3.796 ( -5.156 0.000 6.157) 8.031 4.112 ( -3.321 0.000 7.426) 8.135 4.391 ( -2.334 0.000 5.067) 5.579 4.766 ( -8.672 0.000 13.758) 16.263 5.091 ( -5.838 0.000 -5.204) 7.821 5.114 ( -4.192 0.000 -7.132) 8.273 5.333 ( -1.977 0.000 -13.263) 13.410 5.840 ( -7.315 0.000 -8.047) 10.874 6.271 ( -8.490 0.000 -1.108) 8.562 6.433 ( -16.830 0.000 5.592) 17.735 6.567 ( -10.599 0.000 2.484) 10.886 6.690 ( -13.760 0.000 -3.883) 14.297 6.977 ( -8.546 0.000 13.014) 15.569 7.407 ( -9.866 0.000 -2.704) 10.230 7.886 ( -2.242 0.000 -4.571) 5.091 7.890 ( -7.908 0.000 -7.604) 10.971 8.479 ( -4.234 0.000 11.308) 12.075 9.125 ( -4.798 0.000 -8.432) 9.701 10.586 ( 3.193 -0.000 18.571) 18.844 10.808 ( -4.570 0.000 4.749) 6.591 11.711 ( -2.194 0.000 6.190) 6.567 13.090 ( 2.083 -0.000 -1.019) 2.319 13.160 ( 13.506 -0.000 -23.235) 26.875 13.366 ( 11.704 -0.000 12.485) 17.113 13.494 ( 5.206 -0.000 -15.482) 16.334 13.771 ( -2.352 0.000 1.634) 2.863 14.772 ( 13.031 -0.000 -3.799) 13.574 14.774 ( 13.540 -0.000 22.367) 26.146 15.134 ( 12.332 -0.000 -10.871) 16.440 15.851 ( 9.609 -0.000 -11.074) 14.662 16.214 ( 14.299 -0.000 6.556) 15.730 16.425 ( 19.163 -0.000 -0.238) 19.165 18.178 ( -18.610 0.000 1.408) 18.663 18.330 ( -4.934 0.000 -2.921) 5.734 18.779 ( -12.137 0.000 5.518) 13.333 19.170 ( -0.892 0.000 -5.223) 5.298 22.173 ( -6.547 0.000 4.734) 8.080 22.460 ( -2.730 0.000 -2.431) 3.656 23.506 ( -21.497 0.000 0.462) 21.502 23.566 ( -22.384 0.000 -1.216) 22.417 23.745 ( -17.658 0.000 0.855) 17.678 23.793 ( -13.452 0.000 -0.026) 13.452 ======================= Grid point 233 (88/147) ======================= q-point: (-0.62 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( -11.398 4.466 -1.558) 12.340 2.903 ( -3.960 3.953 -2.910) 6.307 3.028 ( -6.643 1.019 5.522) 8.698 3.205 ( -7.440 0.972 4.033) 8.518 3.334 ( -4.454 -2.371 1.627) 5.301 3.575 ( -5.209 0.945 -10.027) 11.339 3.694 ( -6.981 -5.317 3.291) 9.372 4.033 ( -4.832 -0.395 4.991) 6.958 4.332 ( -4.624 -1.509 8.378) 9.688 4.513 ( -14.786 5.705 9.790) 18.629 4.974 ( -6.287 -0.236 -0.852) 6.349 5.004 ( -9.874 -5.284 -7.784) 13.638 5.300 ( -2.120 0.914 -10.262) 10.518 5.648 ( -13.980 -2.922 -8.078) 16.408 5.952 ( -16.355 14.885 1.372) 22.157 6.147 ( -19.007 -5.096 6.195) 20.630 6.241 ( -12.220 8.280 -8.064) 16.820 6.502 ( -15.620 -17.529 -2.865) 23.653 6.805 ( -8.341 0.264 13.316) 15.715 7.160 ( -13.750 3.448 -1.101) 14.218 7.718 ( -10.936 -1.598 -1.712) 11.184 7.828 ( -3.571 0.493 -3.282) 4.875 8.503 ( 5.999 -2.683 6.308) 9.109 9.037 ( -2.919 0.346 -8.770) 9.249 10.589 ( -0.682 5.338 14.841) 15.786 10.706 ( -5.895 -2.726 5.876) 8.758 11.800 ( 9.578 -2.836 7.395) 12.428 13.134 ( 7.732 7.133 -3.954) 11.238 13.267 ( 1.795 0.620 -14.866) 14.987 13.619 ( 11.231 2.892 -15.147) 19.077 13.733 ( 18.529 -6.344 5.061) 20.229 13.988 ( 21.411 -2.212 3.166) 21.757 14.910 ( 7.866 8.052 13.958) 17.932 15.039 ( 9.248 -5.972 4.561) 11.916 15.509 ( 25.193 1.500 -10.785) 27.445 16.084 ( 14.673 0.337 -11.506) 18.649 16.534 ( 19.478 4.082 8.276) 21.553 16.810 ( 20.146 1.351 -0.437) 20.196 17.726 ( -29.781 -5.179 2.654) 30.344 18.113 ( -19.886 -2.479 -10.291) 22.528 18.565 ( -9.436 -0.635 12.421) 15.612 19.155 ( -0.641 -0.142 -6.286) 6.320 21.972 ( -14.721 1.836 6.068) 16.028 22.362 ( -6.901 2.126 -3.817) 8.168 22.962 ( -34.761 -1.212 2.044) 34.842 23.036 ( -32.414 0.143 -0.196) 32.414 23.323 ( -25.914 -0.345 0.809) 25.929 23.468 ( -20.107 -2.737 -2.270) 20.420 ======================= Grid point 234 (89/147) ======================= q-point: (-0.54 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -16.062 6.528 -1.302) 17.387 2.722 ( -10.026 8.815 1.596) 13.445 2.842 ( -11.138 0.958 -1.731) 11.313 3.054 ( -6.419 2.331 3.533) 7.689 3.259 ( -5.101 -2.431 7.637) 9.500 3.475 ( -5.389 -2.145 -11.332) 12.730 3.610 ( -5.708 -4.751 1.984) 7.687 3.944 ( -4.982 -2.049 0.697) 5.432 4.156 ( -16.208 5.933 8.488) 19.234 4.226 ( -6.422 3.115 11.515) 13.548 4.767 ( -18.494 -3.887 -8.561) 20.747 4.864 ( -6.990 -2.286 3.566) 8.174 5.149 ( -11.143 11.306 -2.687) 16.100 5.369 ( -17.116 -4.380 -9.287) 19.960 5.579 ( -13.577 4.806 -4.924) 15.221 5.777 ( -13.330 7.979 -0.486) 15.543 6.030 ( -11.121 -5.986 -3.358) 13.069 6.336 ( -14.947 -18.936 -4.271) 24.500 6.666 ( -6.203 2.821 10.403) 12.436 6.881 ( -11.071 1.906 2.169) 11.442 7.497 ( -12.672 -1.429 2.730) 13.042 7.747 ( -4.858 0.118 -3.055) 5.740 8.725 ( 13.540 -3.977 2.239) 14.289 9.052 ( 5.046 -0.357 -7.238) 8.830 10.436 ( -9.053 7.319 12.117) 16.803 10.706 ( 2.402 -4.318 9.486) 10.696 12.079 ( 16.152 -3.552 1.263) 16.586 13.183 ( 4.822 12.456 -17.391) 21.928 13.436 ( 17.431 3.575 3.477) 18.130 13.890 ( 20.193 5.112 -12.183) 24.131 14.139 ( 17.748 -7.289 3.425) 19.490 14.467 ( 23.852 -2.697 0.357) 24.007 14.999 ( 7.854 6.466 12.191) 15.878 15.227 ( 6.795 -3.333 3.443) 8.314 15.962 ( 19.170 3.924 -4.790) 20.145 16.381 ( 15.667 2.390 -9.323) 18.387 16.758 ( 1.790 12.835 6.195) 14.364 17.116 ( 9.197 1.908 -3.091) 9.888 17.315 ( -7.455 -18.080 3.180) 19.813 17.681 ( -23.712 -10.194 -10.749) 27.960 18.390 ( -10.975 -0.841 14.441) 18.158 19.149 ( -0.338 -0.756 -8.255) 8.296 21.539 ( -28.966 3.665 8.144) 30.311 22.080 ( -28.090 0.537 -6.921) 28.935 22.305 ( -27.977 -0.378 4.352) 28.317 22.338 ( -39.763 0.157 1.362) 39.786 22.808 ( -25.765 -1.467 1.694) 25.862 23.137 ( -15.451 -4.515 -5.299) 16.947 ======================= Grid point 235 (90/147) ======================= q-point: (-0.46 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -21.791 7.864 0.142) 23.167 2.401 ( -15.256 10.267 14.058) 23.147 2.635 ( -8.109 2.157 -12.662) 15.190 2.941 ( -2.755 4.109 0.058) 4.947 3.196 ( -2.824 -2.657 8.954) 9.757 3.387 ( -5.641 -2.617 -8.967) 10.913 3.536 ( -3.616 3.696 2.840) 5.899 3.841 ( -11.167 0.959 1.653) 11.330 3.894 ( -3.618 -4.769 1.379) 6.143 4.063 ( -4.858 10.487 14.202) 18.311 4.364 ( -23.554 -0.944 -5.755) 24.265 4.702 ( -13.758 7.094 0.303) 15.482 4.820 ( -9.086 3.770 6.598) 11.845 5.041 ( -18.239 -0.870 -11.877) 21.783 5.307 ( -14.042 -1.733 -8.532) 16.522 5.602 ( -3.365 0.547 -7.236) 7.999 5.897 ( -6.290 -3.248 0.246) 7.084 6.230 ( -10.460 -16.855 -4.919) 20.437 6.485 ( -7.810 3.078 10.861) 13.727 6.775 ( -2.046 -3.708 2.312) 4.825 7.276 ( -10.414 -0.114 5.145) 11.617 7.643 ( -5.373 0.592 -3.595) 6.492 9.035 ( 14.035 -5.081 0.291) 14.929 9.229 ( 11.862 -1.487 -6.190) 13.463 10.202 ( -9.249 5.057 18.654) 21.427 10.814 ( 5.313 -2.808 10.378) 11.992 12.446 ( 19.125 -2.517 -10.494) 21.959 13.178 ( 4.073 11.211 -18.729) 22.205 13.802 ( 24.583 11.059 9.391) 28.545 14.263 ( 20.810 6.083 -4.122) 22.069 14.492 ( 14.271 -3.099 2.497) 14.816 14.848 ( 10.635 -2.436 -4.001) 11.621 15.082 ( 0.622 6.274 6.991) 9.414 15.342 ( 4.969 0.073 7.102) 8.668 15.875 ( -18.790 -6.158 7.099) 21.009 16.515 ( -7.265 5.624 -12.559) 15.560 16.754 ( 5.973 -2.827 -0.025) 6.609 17.129 ( 7.180 -8.744 -14.652) 18.512 17.530 ( 11.464 -3.997 8.437) 14.784 17.795 ( 19.803 -4.306 -4.353) 20.728 18.164 ( -7.677 -3.935 14.961) 17.270 19.149 ( -0.886 -2.008 -13.611) 13.787 20.845 ( -38.729 2.687 12.112) 40.668 21.413 ( -34.516 -2.432 -2.115) 34.666 21.529 ( -43.682 -0.453 3.635) 43.835 21.743 ( -35.716 0.659 -2.228) 35.791 22.483 ( -9.629 -1.866 3.153) 10.302 22.967 ( -5.579 -2.892 -7.989) 10.164 ======================= Grid point 236 (91/147) ======================= q-point: (-0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -22.747 8.739 8.168) 25.700 2.038 ( -11.817 14.020 19.567) 26.816 2.519 ( -1.999 3.542 -18.435) 18.879 2.887 ( 0.456 4.992 -4.447) 6.701 3.183 ( -1.612 -0.720 11.944) 12.074 3.307 ( -1.955 5.671 -2.940) 6.680 3.418 ( -3.156 -0.320 -1.896) 3.695 3.718 ( 0.947 13.084 2.329) 13.324 3.840 ( -8.369 -0.191 -0.902) 8.420 3.907 ( -5.318 9.448 11.854) 16.065 3.997 ( -9.478 -5.511 0.722) 10.987 4.323 ( -16.105 2.807 -1.552) 16.421 4.717 ( -8.173 -1.658 -6.435) 10.534 4.760 ( -6.157 -0.789 -3.146) 6.959 5.100 ( -9.361 -5.275 -9.316) 14.221 5.570 ( -1.620 -3.370 -10.866) 11.492 5.830 ( -2.466 -0.435 3.709) 4.475 6.123 ( -6.352 1.450 3.283) 7.296 6.439 ( -2.024 -15.888 6.050) 17.121 6.796 ( 0.313 -4.277 -0.207) 4.294 7.113 ( -5.896 1.274 6.860) 9.135 7.546 ( -3.616 1.526 -3.965) 5.579 9.297 ( 8.573 -5.323 -0.113) 10.092 9.472 ( 9.943 -2.698 -6.282) 12.067 10.052 ( -2.999 1.717 29.652) 29.853 10.923 ( 3.982 -0.946 13.115) 13.738 12.788 ( 13.716 3.559 -19.776) 24.329 13.203 ( 5.801 3.188 -20.599) 21.636 14.078 ( 9.005 18.113 8.401) 21.903 14.507 ( -2.957 -0.890 10.052) 10.515 14.619 ( -4.458 -1.506 5.377) 7.145 14.779 ( 9.744 -1.937 7.041) 12.177 15.075 ( 0.792 7.848 -10.576) 13.194 15.457 ( 4.431 3.500 0.956) 5.727 15.820 ( 1.379 -11.990 4.688) 12.947 16.202 ( -14.418 -14.197 -9.479) 22.345 16.931 ( 7.301 -3.373 1.819) 8.246 17.394 ( -6.255 4.183 9.282) 11.949 17.579 ( 3.397 -4.350 -10.482) 11.846 18.070 ( 23.718 -4.345 7.637) 25.293 18.612 ( 33.642 3.991 -4.962) 34.239 19.145 ( -0.236 -5.438 -21.287) 21.972 20.132 ( -30.414 0.272 18.809) 35.761 20.723 ( -36.891 -0.372 5.855) 37.355 20.872 ( -31.334 -2.569 -4.461) 31.754 21.025 ( -29.460 -1.322 2.079) 29.563 22.385 ( -2.996 -1.143 3.002) 4.392 22.935 ( -0.167 -0.844 -10.223) 10.259 ======================= Grid point 237 (92/147) ======================= q-point: (-0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 0.000 10.784 17.175) 20.280 1.795 ( 0.000 17.592 21.638) 27.887 2.478 ( 0.000 4.246 -20.491) 20.926 2.861 ( 0.000 6.363 -9.240) 11.219 3.132 ( 0.000 2.146 13.489) 13.659 3.226 ( 0.000 11.567 0.788) 11.594 3.403 ( 0.000 24.520 6.521) 25.372 3.603 ( 0.000 6.174 -4.511) 7.646 3.657 ( -0.000 -0.902 -4.747) 4.832 3.863 ( -0.000 -7.233 15.306) 16.929 3.994 ( -0.000 -5.771 2.627) 6.340 4.169 ( -0.000 -5.523 -1.991) 5.871 4.588 ( 0.000 6.598 -24.641) 25.510 4.763 ( -0.000 -6.380 9.145) 11.150 5.056 ( -0.000 -8.255 -13.191) 15.561 5.586 ( -0.000 -4.905 -11.992) 12.956 5.807 ( -0.000 -0.781 8.600) 8.635 6.021 ( 0.000 7.552 10.230) 12.715 6.569 ( -0.000 -20.655 0.904) 20.675 6.831 ( -0.000 -3.223 -1.670) 3.630 7.041 ( 0.000 2.231 8.032) 8.336 7.494 ( 0.000 2.231 -3.973) 4.557 9.422 ( -0.000 -5.733 0.053) 5.734 9.593 ( -0.000 -2.950 -4.915) 5.732 10.046 ( -0.000 -2.989 38.480) 38.596 10.964 ( 0.000 0.713 14.487) 14.505 12.840 ( 0.000 13.968 -17.950) 22.745 13.326 ( -0.000 -8.379 -25.326) 26.676 13.981 ( -0.000 -0.181 8.797) 8.798 14.352 ( 0.000 16.305 15.112) 22.231 14.750 ( 0.000 1.422 10.418) 10.515 14.919 ( 0.000 1.759 7.051) 7.267 14.959 ( -0.000 -0.014 -17.294) 17.294 15.454 ( 0.000 2.012 -10.543) 10.733 15.934 ( -0.000 -10.660 5.881) 12.174 16.241 ( -0.000 -18.357 -2.031) 18.469 17.075 ( -0.000 -4.329 2.285) 4.895 17.127 ( -0.000 -0.129 20.075) 20.075 17.710 ( 0.000 1.992 -14.355) 14.493 18.511 ( -0.000 -0.103 -18.124) 18.125 18.725 ( 0.000 2.981 3.596) 4.671 19.420 ( -0.000 -4.574 -14.116) 14.839 19.799 ( 0.000 0.078 10.702) 10.702 20.321 ( -0.000 -0.018 -4.181) 4.181 20.352 ( -0.000 -2.326 15.737) 15.908 20.819 ( -0.000 -3.332 1.755) 3.766 22.362 ( 0.000 0.399 2.917) 2.944 22.940 ( 0.000 0.196 -11.777) 11.778 ======================= Grid point 246 (93/147) ======================= q-point: (-0.62 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -16.537 0.000 -2.287) 16.694 2.803 ( -7.783 0.000 -10.219) 12.845 2.838 ( -13.842 0.000 11.259) 17.843 3.070 ( -6.455 0.000 5.883) 8.734 3.240 ( -3.979 0.000 7.338) 8.348 3.464 ( -6.731 0.000 -14.407) 15.902 3.562 ( -3.592 0.000 2.246) 4.237 3.930 ( -5.535 0.000 0.959) 5.618 4.204 ( -16.273 0.000 9.380) 18.783 4.249 ( -6.139 0.000 10.039) 11.767 4.729 ( -17.379 0.000 -8.239) 19.233 4.850 ( -6.476 0.000 2.501) 6.942 5.241 ( -5.566 0.000 -7.786) 9.570 5.331 ( -17.058 0.000 -5.665) 17.975 5.632 ( -22.106 0.000 4.284) 22.518 5.848 ( -8.753 0.000 1.222) 8.837 6.050 ( -13.648 0.000 -11.198) 17.654 6.101 ( -14.782 0.000 -3.108) 15.105 6.689 ( -3.951 0.000 10.115) 10.859 6.896 ( -14.310 0.000 0.658) 14.325 7.485 ( -12.041 0.000 3.137) 12.443 7.748 ( -4.879 0.000 -3.197) 5.833 8.695 ( 13.765 -0.000 2.579) 14.005 9.049 ( 4.716 -0.000 -7.643) 8.980 10.501 ( -11.974 0.000 7.901) 14.346 10.664 ( 4.616 -0.000 12.845) 13.649 12.051 ( 16.792 -0.000 2.622) 16.995 13.287 ( 1.428 -0.000 -19.534) 19.586 13.446 ( 20.083 -0.000 3.473) 20.381 13.947 ( 22.202 -0.000 -18.038) 28.606 14.066 ( 17.684 -0.000 9.576) 20.110 14.446 ( 24.653 -0.000 1.031) 24.674 15.067 ( 7.155 -0.000 18.182) 19.539 15.189 ( 8.027 -0.000 -1.808) 8.228 15.993 ( 19.562 -0.000 -4.305) 20.030 16.393 ( 16.284 -0.000 -7.808) 18.059 16.966 ( 19.023 -0.000 4.440) 19.534 17.013 ( -30.516 0.000 -1.026) 30.533 17.196 ( 13.648 -0.000 2.422) 13.861 17.600 ( -26.073 0.000 -12.852) 29.069 18.384 ( -11.236 0.000 14.615) 18.435 19.142 ( -0.644 0.000 -8.128) 8.154 21.568 ( -29.240 0.000 8.126) 30.348 22.082 ( -31.202 0.000 -5.844) 31.745 22.304 ( -25.396 0.000 3.920) 25.697 22.340 ( -39.869 0.000 1.280) 39.890 22.795 ( -26.322 0.000 1.312) 26.354 23.103 ( -14.528 0.000 -5.211) 15.434 ======================= Grid point 248 (94/147) ======================= q-point: (-0.54 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -22.726 2.756 -0.269) 22.894 2.517 ( -15.800 4.704 15.105) 22.359 2.652 ( -7.137 0.302 -13.620) 15.379 2.982 ( -1.891 1.330 4.226) 4.817 3.171 ( -3.591 -0.660 6.939) 7.841 3.347 ( -5.430 -1.738 -9.908) 11.431 3.559 ( 2.378 -0.127 0.507) 2.435 3.832 ( -6.470 -1.182 -5.898) 8.835 3.872 ( -13.647 0.868 9.639) 16.731 4.150 ( -4.512 2.408 10.609) 11.777 4.338 ( -22.924 -1.744 -5.602) 23.663 4.733 ( -5.732 -0.200 4.912) 7.551 4.978 ( -19.155 -0.530 -6.286) 20.167 5.055 ( -10.543 15.437 0.035) 18.694 5.271 ( -15.299 -5.510 -0.595) 16.272 5.657 ( -7.654 7.009 -7.210) 12.637 5.866 ( -3.384 -1.099 -6.335) 7.266 5.939 ( -11.300 -17.736 -3.928) 21.393 6.586 ( -7.146 8.042 6.596) 12.620 6.698 ( -5.104 -6.691 3.337) 9.053 7.274 ( -9.593 -0.087 5.791) 11.206 7.650 ( -5.021 0.249 -3.580) 6.172 8.982 ( 14.401 -1.854 0.536) 14.530 9.214 ( 11.389 -0.536 -6.976) 13.366 10.259 ( -11.081 2.219 14.563) 18.434 10.782 ( 6.502 -1.268 12.326) 13.993 12.411 ( 19.383 -1.533 -8.405) 21.182 13.297 ( 1.438 4.320 -20.164) 20.671 13.899 ( 27.116 2.821 9.667) 28.926 14.351 ( 18.467 5.264 -0.435) 19.208 14.429 ( 18.077 -4.473 -3.238) 18.902 14.812 ( 6.862 -1.499 -3.636) 7.909 15.214 ( 9.052 8.637 11.021) 16.674 15.330 ( 6.853 -2.427 3.756) 8.183 15.790 ( -30.804 -4.021 9.326) 32.435 16.588 ( -19.060 3.328 -11.236) 22.374 16.731 ( -2.768 -0.315 -0.988) 2.956 16.995 ( 21.328 -6.708 -14.026) 26.394 17.517 ( 17.995 0.454 5.443) 18.806 17.754 ( 23.965 -1.398 -4.461) 24.416 18.122 ( -9.291 -1.509 15.518) 18.149 19.125 ( -1.836 -0.984 -13.567) 13.726 20.878 ( -39.880 1.353 12.228) 41.734 21.387 ( -34.034 -0.979 -0.752) 34.057 21.526 ( -44.352 -0.087 3.692) 44.506 21.752 ( -36.629 0.339 -2.500) 36.715 22.456 ( -9.600 -1.221 2.978) 10.125 22.939 ( -3.763 -0.902 -7.986) 8.874 ======================= Grid point 249 (95/147) ======================= q-point: (-0.46 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -22.656 4.761 8.032) 24.504 2.208 ( -10.392 8.540 17.406) 21.998 2.560 ( -1.561 1.972 -17.588) 17.767 2.958 ( 0.679 4.950 -1.755) 5.296 3.152 ( 0.862 -4.243 4.388) 6.164 3.275 ( -4.639 -3.541 0.444) 5.852 3.521 ( -3.808 9.732 -2.824) 10.825 3.717 ( 0.615 -3.662 4.503) 5.836 3.795 ( -5.053 -2.914 -1.403) 5.999 3.936 ( -13.919 -2.570 -0.714) 14.173 4.076 ( -2.261 2.191 5.407) 6.257 4.557 ( -12.895 20.741 -2.156) 24.517 4.656 ( -8.443 -4.185 1.947) 9.622 4.745 ( -10.003 2.959 2.247) 10.671 5.078 ( -7.524 0.739 -4.673) 8.888 5.535 ( -3.223 -1.062 -11.133) 11.638 5.838 ( -0.530 0.853 -4.018) 4.141 5.934 ( -5.105 -21.978 -4.819) 23.072 6.400 ( -4.746 6.569 10.789) 13.494 6.708 ( -0.707 -7.147 0.954) 7.245 7.128 ( -5.226 0.728 7.217) 8.940 7.564 ( -3.237 0.855 -3.946) 5.175 9.234 ( 9.114 -2.991 -0.080) 9.593 9.440 ( 9.734 -1.547 -7.431) 12.343 10.084 ( -5.029 1.991 23.870) 24.475 10.906 ( 4.879 -1.068 14.529) 15.363 12.777 ( 15.708 -2.510 -19.671) 25.298 13.285 ( 1.327 5.518 -20.030) 20.819 14.296 ( -4.865 10.833 6.485) 13.531 14.476 ( -2.292 -2.830 11.106) 11.688 14.621 ( 7.098 2.140 3.772) 8.318 14.739 ( 12.106 -3.311 3.577) 13.050 15.218 ( -2.162 10.608 -5.297) 12.052 15.536 ( 8.808 5.171 3.771) 10.888 15.644 ( 2.055 -10.304 1.463) 10.608 15.999 ( -22.748 -12.438 -8.837) 27.391 16.891 ( 7.391 -1.953 3.112) 8.254 17.452 ( -12.522 3.518 9.960) 16.382 17.534 ( 9.621 -2.129 -11.383) 15.056 18.019 ( 29.331 -2.542 8.056) 30.524 18.665 ( 40.823 2.905 -6.248) 41.401 19.070 ( -5.223 -4.226 -23.609) 24.546 20.143 ( -31.879 0.849 20.462) 37.891 20.707 ( -38.292 -1.192 8.197) 39.178 20.850 ( -28.947 -0.648 -4.745) 29.341 21.013 ( -31.014 -0.519 2.073) 31.087 22.359 ( -3.039 -1.889 3.116) 4.745 22.925 ( 0.704 -0.399 -10.001) 10.034 ======================= Grid point 250 (96/147) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 0.000 7.393 15.207) 16.909 2.023 ( 0.000 12.770 18.425) 22.417 2.535 ( 0.000 3.231 -19.766) 20.028 2.931 ( 0.000 4.273 -5.606) 7.049 3.164 ( 0.000 2.193 12.686) 12.874 3.296 ( -0.000 -7.936 -4.630) 9.188 3.426 ( 0.000 7.070 -3.353) 7.824 3.646 ( -0.000 -0.631 -4.584) 4.628 3.761 ( -0.000 -3.183 12.203) 12.611 3.914 ( -0.000 -4.774 2.901) 5.586 4.093 ( -0.000 -4.521 -2.211) 5.032 4.147 ( 0.000 39.125 3.539) 39.285 4.590 ( -0.000 -5.912 -12.870) 14.163 4.683 ( -0.000 -4.341 9.605) 10.540 4.992 ( 0.000 0.697 -6.534) 6.571 5.524 ( -0.000 -3.372 -11.934) 12.401 5.822 ( 0.000 1.963 -1.316) 2.363 6.026 ( -0.000 -13.293 -3.853) 13.840 6.339 ( -0.000 -3.618 12.500) 13.013 6.756 ( -0.000 -6.742 -0.773) 6.786 7.069 ( 0.000 1.505 7.855) 7.997 7.522 ( 0.000 1.492 -4.033) 4.300 9.350 ( -0.000 -3.894 -0.046) 3.894 9.555 ( -0.000 -2.189 -7.341) 7.660 10.033 ( 0.000 0.583 30.687) 30.692 10.962 ( -0.000 -0.604 15.888) 15.899 12.953 ( 0.000 0.993 -22.665) 22.687 13.275 ( 0.000 2.007 -20.934) 21.030 13.979 ( -0.000 -0.129 8.822) 8.823 14.587 ( 0.000 14.388 10.014) 17.530 14.768 ( 0.000 0.893 9.848) 9.888 14.940 ( 0.000 1.954 7.687) 7.931 14.959 ( -0.000 -0.010 -17.329) 17.329 15.523 ( 0.000 6.066 -8.890) 10.763 15.765 ( -0.000 -11.720 3.678) 12.284 15.992 ( -0.000 -14.535 2.579) 14.762 17.019 ( -0.000 -3.067 3.644) 4.762 17.125 ( -0.000 -0.091 20.098) 20.098 17.742 ( 0.000 1.990 -15.098) 15.229 18.509 ( -0.000 -0.073 -18.105) 18.105 18.776 ( 0.000 3.522 -1.186) 3.717 19.356 ( -0.000 -3.858 -11.774) 12.390 19.800 ( 0.000 0.055 10.668) 10.668 20.304 ( -0.000 -3.507 18.569) 18.897 20.321 ( -0.000 -0.013 -4.172) 4.172 20.791 ( -0.000 -0.900 3.203) 3.327 22.346 ( -0.000 -1.966 3.135) 3.701 22.939 ( -0.000 -0.183 -10.900) 10.902 ======================= Grid point 261 (97/147) ======================= q-point: (-0.54 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -22.571 0.000 8.004) 23.948 2.274 ( -10.088 0.000 16.748) 19.552 2.575 ( -1.333 0.000 -17.487) 17.538 3.018 ( 4.555 -0.000 2.513) 5.203 3.089 ( -3.839 0.000 -5.076) 6.364 3.254 ( -4.432 0.000 6.006) 7.464 3.619 ( -8.055 0.000 -0.637) 8.080 3.671 ( 6.328 -0.000 -2.153) 6.684 3.771 ( -2.275 0.000 2.126) 3.114 3.918 ( -16.947 0.000 -1.338) 17.000 4.079 ( -3.684 0.000 3.615) 5.162 4.600 ( -18.028 0.000 -4.497) 18.580 4.651 ( -2.532 0.000 7.569) 7.982 4.924 ( -12.403 0.000 3.453) 12.875 5.066 ( -2.244 0.000 -3.112) 3.837 5.544 ( -5.989 0.000 -11.255) 12.750 5.698 ( -5.361 0.000 -2.769) 6.034 5.848 ( 0.325 -0.000 -7.073) 7.081 6.482 ( -5.848 0.000 6.522) 8.760 6.628 ( -0.349 0.000 3.109) 3.129 7.134 ( -4.993 0.000 7.314) 8.856 7.570 ( -3.119 0.000 -3.945) 5.029 9.212 ( 9.343 -0.000 -0.065) 9.343 9.428 ( 9.610 -0.000 -7.791) 12.371 10.100 ( -5.677 0.000 21.787) 22.515 10.898 ( 5.190 -0.000 15.166) 16.030 12.755 ( 15.666 -0.000 -18.864) 24.521 13.329 ( 0.579 -0.000 -20.497) 20.505 14.386 ( -36.006 0.000 4.861) 36.333 14.443 ( 25.773 -0.000 12.872) 28.809 14.660 ( 15.196 -0.000 2.586) 15.414 14.696 ( 7.713 -0.000 2.000) 7.968 15.334 ( -6.204 0.000 -0.431) 6.219 15.495 ( 6.814 -0.000 -0.125) 6.815 15.630 ( 14.584 -0.000 4.981) 15.411 15.886 ( -31.389 0.000 -10.936) 33.239 16.876 ( 7.389 -0.000 3.680) 8.254 17.487 ( -27.676 0.000 17.563) 32.778 17.512 ( 23.516 -0.000 -18.928) 30.187 17.999 ( 32.354 -0.000 7.881) 33.301 18.688 ( 44.735 -0.000 -6.007) 45.137 19.036 ( -8.374 0.000 -24.853) 26.226 20.150 ( -32.559 0.000 21.004) 38.746 20.697 ( -38.859 0.000 8.710) 39.823 20.846 ( -28.217 0.000 -4.550) 28.581 21.009 ( -31.491 0.000 2.008) 31.555 22.343 ( -2.995 0.000 3.195) 4.379 22.923 ( 0.939 -0.000 -10.054) 10.098 ======================= Grid point 263 (98/147) ======================= q-point: (-0.46 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.000 2.642 14.283) 14.526 2.156 ( 0.000 4.744 16.858) 17.512 2.568 ( 0.000 1.210 -19.318) 19.356 3.009 ( 0.000 6.490 -6.397) 9.113 3.144 ( -0.000 -9.748 -3.352) 10.308 3.190 ( 0.000 1.035 12.167) 12.211 3.538 ( 0.000 4.356 -0.664) 4.406 3.639 ( -0.000 -0.292 -4.543) 4.552 3.745 ( 0.000 0.906 6.247) 6.312 3.863 ( -0.000 -1.850 3.209) 3.704 4.045 ( -0.000 -1.818 -2.405) 3.015 4.404 ( -0.000 -4.380 -6.755) 8.051 4.639 ( -0.000 -1.525 9.842) 9.959 4.708 ( 0.000 20.817 3.968) 21.192 5.031 ( 0.000 3.108 -3.988) 5.056 5.490 ( -0.000 -1.196 -11.908) 11.968 5.724 ( -0.000 -18.484 -3.236) 18.765 5.849 ( 0.000 0.981 -6.879) 6.949 6.400 ( 0.000 5.926 9.049) 10.817 6.650 ( -0.000 -6.127 1.539) 6.317 7.084 ( 0.000 0.528 7.764) 7.782 7.537 ( 0.000 0.522 -4.064) 4.097 9.311 ( -0.000 -1.365 -0.106) 1.369 9.531 ( -0.000 -0.865 -8.271) 8.316 10.046 ( 0.000 0.653 26.548) 26.556 10.953 ( -0.000 -0.419 16.862) 16.867 12.931 ( -0.000 -1.662 -22.877) 22.937 13.325 ( 0.000 2.550 -20.389) 20.548 13.977 ( -0.000 -0.046 8.836) 8.836 14.741 ( 0.000 5.697 4.145) 7.045 14.773 ( -0.000 -0.258 7.252) 7.257 14.959 ( -0.000 -0.003 -17.350) 17.350 14.986 ( 0.000 3.287 14.142) 14.519 15.575 ( -0.000 -2.174 -7.320) 7.636 15.642 ( -0.000 -0.977 -0.027) 0.978 15.835 ( -0.000 -6.165 5.897) 8.531 16.988 ( -0.000 -1.091 4.717) 4.841 17.125 ( -0.000 -0.033 20.111) 20.111 17.763 ( 0.000 0.769 -15.539) 15.558 18.508 ( -0.000 -0.026 -18.094) 18.094 18.816 ( 0.000 1.575 -4.815) 5.066 19.314 ( -0.000 -1.583 -10.116) 10.240 19.801 ( 0.000 0.020 10.649) 10.649 20.265 ( -0.000 -1.497 20.985) 21.039 20.321 ( -0.000 -0.005 -4.167) 4.167 20.784 ( -0.000 -0.189 3.677) 3.682 22.320 ( -0.000 -1.094 3.304) 3.481 22.937 ( -0.000 -0.081 -10.863) 10.864 ======================= Grid point 350 (99/147) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 0.000 0.000 30.374) 30.374 1.274 ( 0.000 0.000 30.903) 30.903 1.757 ( 0.000 0.000 -26.326) 26.326 1.831 ( 0.000 0.000 -27.168) 27.168 2.234 ( 0.000 0.000 51.063) 51.063 3.186 ( 0.000 0.000 -45.661) 45.661 3.341 ( 0.000 0.000 12.742) 12.742 3.555 ( 0.000 0.000 -9.550) 9.550 3.866 ( 0.000 0.000 16.511) 16.511 3.981 ( 0.000 0.000 2.734) 2.734 4.265 ( 0.000 0.000 3.668) 3.668 4.331 ( 0.000 0.000 -3.043) 3.043 4.540 ( 0.000 0.000 -3.065) 3.065 4.663 ( 0.000 0.000 -15.166) 15.166 5.261 ( 0.000 0.000 12.961) 12.961 5.538 ( 0.000 0.000 -15.329) 15.329 5.985 ( 0.000 0.000 15.938) 15.938 6.228 ( 0.000 0.000 -9.551) 9.551 6.846 ( 0.000 0.000 13.989) 13.989 7.089 ( 0.000 0.000 -10.934) 10.934 7.117 ( 0.000 0.000 9.564) 9.564 7.279 ( 0.000 0.000 -7.093) 7.093 9.715 ( 0.000 0.000 2.227) 2.227 9.767 ( 0.000 0.000 -3.038) 3.038 10.999 ( 0.000 0.000 16.870) 16.870 11.364 ( 0.000 0.000 -20.704) 20.704 12.868 ( 0.000 0.000 15.532) 15.532 13.147 ( 0.000 0.000 -13.559) 13.559 14.229 ( 0.000 0.000 16.076) 16.076 14.584 ( 0.000 0.000 -20.240) 20.240 14.688 ( 0.000 0.000 3.068) 3.068 14.721 ( 0.000 0.000 -0.452) 0.452 15.570 ( 0.000 0.000 11.863) 11.863 15.822 ( 0.000 0.000 -13.805) 13.805 15.980 ( 0.000 0.000 5.735) 5.735 16.103 ( 0.000 0.000 -6.804) 6.804 17.381 ( 0.000 0.000 15.709) 15.709 17.591 ( 0.000 0.000 26.159) 26.159 17.676 ( 0.000 0.000 -14.448) 14.448 18.090 ( 0.000 0.000 -25.033) 25.033 19.038 ( 0.000 0.000 2.710) 2.710 19.077 ( 0.000 0.000 -1.295) 1.295 20.016 ( 0.000 0.000 11.151) 11.151 20.203 ( 0.000 0.000 -8.144) 8.144 21.002 ( 0.000 0.000 4.390) 4.390 21.095 ( 0.000 0.000 -5.166) 5.166 21.770 ( 0.000 0.000 5.304) 5.304 21.865 ( 0.000 0.000 -4.423) 4.423 ======================= Grid point 351 (100/147) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 4.947 -13.157 26.126) 29.667 1.350 ( 9.209 -2.943 23.873) 25.756 1.849 ( 4.960 -6.866 -25.865) 27.216 1.869 ( 4.347 -1.232 -23.790) 24.215 2.505 ( 24.323 -4.129 47.513) 53.536 3.297 ( 7.979 -0.725 -15.216) 17.197 3.496 ( 16.857 -1.133 -13.695) 21.748 3.595 ( 3.756 0.838 -4.726) 6.095 3.892 ( 4.060 4.228 9.899) 11.504 3.968 ( -0.734 -0.939 3.087) 3.310 4.325 ( 6.141 1.549 5.513) 8.397 4.427 ( 9.741 3.113 -4.283) 11.087 4.542 ( 3.210 3.581 -2.226) 5.299 4.689 ( 0.986 -4.516 -15.919) 16.576 5.306 ( 5.384 1.749 12.556) 13.773 5.573 ( 4.231 1.640 -14.749) 15.431 6.066 ( 7.556 -1.705 14.497) 16.436 6.278 ( 5.528 0.490 -7.558) 9.377 6.822 ( -1.998 0.171 13.045) 13.198 7.052 ( -2.542 1.883 -10.381) 10.852 7.188 ( 6.956 -0.367 9.797) 12.021 7.360 ( 7.908 -0.064 -8.059) 11.291 9.613 ( -9.497 1.729 2.224) 9.906 9.663 ( -9.660 2.036 -2.892) 10.287 11.014 ( 0.749 -2.087 15.434) 15.593 11.333 ( -3.344 3.092 -16.301) 16.925 12.259 ( -59.513 9.462 35.990) 70.189 12.609 ( -34.132 -7.604 -2.434) 35.053 13.754 ( -20.069 0.830 4.526) 20.589 14.001 ( -31.409 -4.770 -17.736) 36.385 14.699 ( -7.537 -0.335 5.194) 9.160 14.792 ( -6.565 -0.563 -5.321) 8.469 15.494 ( -2.078 6.621 12.655) 14.433 15.771 ( -3.198 6.480 -15.253) 16.878 16.113 ( 2.626 -3.488 10.780) 11.630 16.325 ( 4.946 -2.921 -11.307) 12.682 17.260 ( -9.361 3.700 5.795) 11.615 17.299 ( -12.451 -0.635 2.891) 12.798 18.121 ( 25.342 4.813 -0.024) 25.795 18.176 ( 11.467 1.267 -3.543) 12.069 18.938 ( -7.152 4.039 2.728) 8.655 18.995 ( -10.471 -1.132 -3.790) 11.193 20.570 ( 37.125 2.650 1.717) 37.259 20.591 ( 38.555 -0.811 -0.010) 38.564 21.309 ( 24.468 8.516 -0.549) 25.913 21.385 ( 37.387 21.282 -9.752) 44.111 21.950 ( 8.397 -16.938 1.274) 18.948 22.025 ( 15.353 -20.250 -7.281) 26.435 ======================= Grid point 352 (101/147) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 11.300 -18.422 19.961) 29.419 1.679 ( 19.645 -6.601 14.653) 25.382 2.019 ( 9.170 -5.257 -19.965) 22.590 2.063 ( 11.645 -7.865 -20.269) 24.664 3.092 ( 29.997 -6.275 35.466) 46.872 3.462 ( 9.122 0.272 5.327) 10.567 3.664 ( 4.922 3.116 3.765) 6.936 3.893 ( 2.335 3.816 10.576) 11.483 3.941 ( 21.889 -3.642 -31.896) 38.856 4.034 ( 6.094 -1.411 0.514) 6.277 4.423 ( 5.983 5.202 4.656) 9.194 4.558 ( 9.680 8.477 -7.790) 15.041 4.710 ( 11.795 -2.298 -3.098) 12.410 4.792 ( 7.164 -5.793 -11.951) 15.090 5.446 ( 11.602 4.196 10.672) 16.312 5.674 ( 8.585 4.245 -12.774) 15.966 6.282 ( 12.799 -2.473 11.819) 17.596 6.434 ( 11.198 1.186 -3.479) 11.785 6.785 ( -1.549 -0.619 10.810) 10.938 6.988 ( -2.012 2.240 -9.423) 9.892 7.377 ( 12.368 0.283 9.774) 15.767 7.560 ( 12.833 1.574 -9.132) 15.828 9.361 ( -14.012 2.615 1.456) 14.328 9.394 ( -15.302 3.360 -1.916) 15.784 11.028 ( -17.824 12.471 27.276) 34.889 11.062 ( 1.648 3.411 10.375) 11.045 11.558 ( -16.156 -18.822 6.453) 25.631 11.977 ( -32.698 -12.302 -20.585) 40.549 13.409 ( -16.612 0.507 5.596) 17.536 13.609 ( -18.123 -7.847 -13.200) 23.754 14.493 ( -12.302 -0.640 5.243) 13.388 14.607 ( -11.184 -2.037 -7.627) 13.689 15.382 ( -8.101 -1.586 10.599) 13.434 15.623 ( -9.274 0.757 -13.573) 16.457 16.057 ( -7.510 2.953 12.400) 14.795 16.250 ( -9.539 3.387 -7.685) 12.709 17.048 ( -10.859 2.367 2.340) 11.357 17.080 ( -11.238 0.088 -0.587) 11.254 18.403 ( 12.601 8.427 1.561) 15.239 18.436 ( 12.851 11.876 -1.875) 17.599 18.754 ( -6.638 4.136 4.477) 9.012 18.851 ( -3.314 -4.216 -5.382) 7.598 21.210 ( 31.968 5.169 9.469) 33.739 21.352 ( 37.066 0.851 -4.248) 37.318 21.800 ( 30.206 8.044 -0.665) 31.266 21.836 ( 24.833 10.138 -4.203) 27.150 22.359 ( 24.950 -11.424 11.096) 29.600 22.659 ( 30.420 -10.555 -20.952) 38.416 ======================= Grid point 353 (102/147) ======================= q-point: ( 0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 14.344 -15.163 15.524) 26.013 2.127 ( 19.839 -7.851 12.465) 24.710 2.280 ( 13.270 -6.345 -17.900) 23.168 2.400 ( 16.030 -8.785 -16.305) 24.495 3.604 ( 11.473 1.039 8.829) 14.514 3.665 ( 12.493 -2.527 6.085) 14.124 3.763 ( 11.600 -1.039 16.722) 20.379 3.875 ( 0.710 0.157 11.895) 11.918 4.151 ( 6.548 0.196 4.189) 7.776 4.427 ( 20.737 -3.699 -17.486) 27.376 4.509 ( 8.604 5.041 -4.534) 10.955 4.710 ( 10.843 3.106 -14.382) 18.277 4.914 ( 7.627 -4.857 0.671) 9.068 5.047 ( 13.965 -1.593 -9.675) 17.064 5.680 ( 16.815 8.315 6.949) 20.004 5.836 ( 12.642 8.180 -9.223) 17.658 6.563 ( 13.315 -2.782 10.010) 16.889 6.671 ( 14.079 2.459 1.301) 14.351 6.796 ( 2.566 -2.123 6.968) 7.723 6.963 ( 1.291 0.941 -8.098) 8.254 7.634 ( 14.392 1.708 8.198) 16.651 7.796 ( 12.867 4.048 -8.304) 15.840 9.073 ( -13.527 3.295 0.262) 13.925 9.087 ( -12.026 2.624 -1.100) 12.358 10.671 ( -11.152 2.276 32.142) 34.098 11.026 ( -5.428 6.934 -3.920) 9.639 11.561 ( 1.399 -18.555 0.044) 18.607 11.717 ( -7.478 -20.898 -16.579) 27.704 13.098 ( -15.608 -0.990 11.529) 19.430 13.363 ( -12.940 -5.805 -13.899) 19.857 14.283 ( -9.632 -0.611 5.704) 11.211 14.429 ( -8.758 -1.681 -10.284) 13.612 15.193 ( -13.590 -2.491 9.112) 16.551 15.404 ( -13.928 -0.794 -11.953) 18.371 15.822 ( -12.803 5.618 11.287) 17.968 15.992 ( -12.756 4.558 -6.520) 15.033 16.798 ( -13.961 0.770 3.098) 14.321 16.847 ( -13.820 -0.985 -1.772) 13.968 18.446 ( 2.825 11.194 1.817) 11.687 18.482 ( 2.027 11.487 -1.714) 11.790 18.743 ( 6.882 1.580 7.754) 10.487 18.910 ( 4.358 -2.370 -9.165) 10.421 21.674 ( 20.546 4.484 10.449) 23.483 21.873 ( 17.502 3.174 -9.778) 20.298 22.317 ( 32.627 -0.630 4.090) 32.889 22.401 ( 33.140 -0.183 -4.667) 33.468 22.973 ( 31.033 -1.728 12.535) 33.513 23.240 ( 25.969 -0.380 -14.855) 29.920 ======================= Grid point 354 (103/147) ======================= q-point: ( 0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 13.535 -9.328 12.101) 20.412 2.496 ( 13.927 -3.504 5.063) 15.227 2.617 ( 15.218 -8.770 -8.804) 19.647 2.763 ( 14.641 -7.398 -12.930) 20.887 3.684 ( 0.958 3.350 3.598) 5.009 3.734 ( 0.738 3.251 -1.366) 3.603 3.926 ( 6.023 -2.864 14.134) 15.628 4.091 ( 7.288 -5.805 -0.365) 9.325 4.347 ( 14.114 -4.313 20.445) 25.215 4.608 ( 8.902 6.186 8.243) 13.619 4.819 ( 12.588 -4.626 -20.678) 24.646 4.913 ( 10.622 -0.233 -15.191) 18.538 5.105 ( 8.748 -7.158 5.301) 12.485 5.310 ( 12.158 -2.206 -13.972) 18.652 5.911 ( 14.518 14.509 3.301) 20.789 6.001 ( 11.515 13.053 -6.243) 18.492 6.786 ( 7.621 -5.520 9.192) 13.155 6.920 ( 12.334 1.167 0.284) 12.392 6.936 ( 9.973 -1.310 5.438) 11.435 7.055 ( 9.040 0.460 -3.603) 9.742 7.866 ( 10.618 2.905 3.624) 11.590 7.946 ( 5.568 5.865 -4.435) 9.223 8.873 ( -3.553 3.193 1.279) 4.945 8.914 ( -4.046 1.017 -2.975) 5.124 10.545 ( -3.379 -4.868 25.066) 25.757 10.864 ( -5.557 0.190 -6.318) 8.416 11.839 ( 10.626 -12.366 -4.730) 16.976 11.864 ( 7.471 -17.315 -8.188) 20.558 12.855 ( -10.179 -3.206 17.088) 20.146 13.197 ( -8.284 -4.834 -16.155) 18.788 14.136 ( -5.423 1.463 5.753) 8.040 14.288 ( -5.949 2.755 -10.353) 12.254 14.886 ( -18.919 1.555 7.907) 20.564 15.077 ( -20.833 -0.050 -11.112) 23.611 15.531 ( -12.346 4.125 12.951) 18.362 15.744 ( -10.034 1.792 -9.179) 13.717 16.509 ( -15.547 -0.193 3.671) 15.976 16.563 ( -16.657 -2.034 -1.869) 16.884 18.425 ( 1.680 5.624 1.792) 6.137 18.447 ( 2.685 8.165 -0.470) 8.608 18.880 ( 8.053 2.910 5.110) 9.971 19.004 ( 4.352 -0.006 -7.464) 8.640 21.967 ( 13.090 1.847 7.097) 15.004 22.095 ( 9.356 1.503 -5.871) 11.148 22.959 ( 30.878 -2.212 2.825) 31.086 23.026 ( 29.781 -2.014 -4.070) 30.125 23.513 ( 24.532 1.617 8.059) 25.872 23.668 ( 19.364 1.934 -7.814) 20.971 ======================= Grid point 355 (104/147) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 9.681 -4.645 9.774) 14.520 2.730 ( 8.789 -1.053 0.338) 8.858 2.937 ( 11.429 -6.954 -2.775) 13.663 3.045 ( 9.871 -4.497 -10.074) 14.803 3.639 ( -2.382 2.820 4.436) 5.771 3.698 ( -1.809 2.520 -1.843) 3.608 4.072 ( 5.284 -4.139 8.528) 10.852 4.191 ( 2.466 -1.090 -2.425) 3.627 4.649 ( 10.697 -5.972 14.743) 19.169 4.737 ( 7.392 1.496 12.865) 14.913 4.985 ( 4.621 0.023 -10.645) 11.604 5.092 ( 6.978 -0.447 -15.616) 17.110 5.366 ( 9.629 -13.252 4.220) 16.916 5.553 ( 9.717 -6.462 -14.198) 18.378 5.991 ( 6.935 19.671 1.056) 20.884 6.056 ( 5.118 15.345 -6.170) 17.313 6.988 ( 8.367 -6.799 8.031) 13.443 7.108 ( 8.068 -4.137 -4.424) 10.089 7.159 ( 10.475 1.207 8.613) 13.615 7.236 ( 9.382 3.124 0.252) 9.891 7.923 ( -2.250 5.409 1.659) 6.088 7.980 ( 3.534 2.542 -4.038) 5.938 8.880 ( 5.244 3.489 1.229) 6.417 8.914 ( 3.170 -0.609 -2.436) 4.044 10.602 ( 4.214 -7.022 19.958) 21.573 10.844 ( 1.878 -2.599 -4.004) 5.130 12.026 ( 3.154 -2.906 0.645) 4.337 12.170 ( 8.135 -11.090 -12.814) 18.798 12.836 ( 4.922 -10.723 15.808) 19.726 13.149 ( 0.581 -6.304 -14.770) 16.070 14.033 ( -3.297 8.425 3.872) 9.841 14.132 ( -6.307 11.123 -5.547) 13.938 14.473 ( -20.708 2.062 6.433) 21.782 14.649 ( -21.598 -2.107 -10.270) 24.008 15.317 ( -8.191 0.586 14.325) 16.512 15.581 ( -6.800 -0.440 -12.413) 14.161 16.228 ( -13.198 -0.256 2.951) 13.526 16.265 ( -14.832 -1.905 -0.959) 14.985 18.427 ( 1.318 2.145 2.224) 3.359 18.459 ( 2.934 4.531 -1.018) 5.493 18.994 ( 5.641 2.207 3.115) 6.811 19.075 ( 3.156 0.646 -5.102) 6.034 22.159 ( 7.830 0.376 4.309) 8.945 22.232 ( 5.762 0.524 -3.079) 6.554 23.488 ( 21.788 -2.345 1.768) 21.985 23.533 ( 20.892 -2.005 -3.001) 21.201 23.874 ( 14.226 1.840 4.234) 14.957 23.948 ( 11.096 1.800 -3.438) 11.755 ======================= Grid point 356 (105/147) ======================= q-point: ( 0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 3.592 -1.431 8.365) 9.215 2.846 ( 2.935 -0.113 0.108) 2.939 3.143 ( 5.481 -3.344 -2.415) 6.860 3.193 ( 2.988 -1.041 -7.624) 8.254 3.578 ( -1.662 1.337 4.741) 5.199 3.646 ( -1.552 1.102 -2.366) 3.037 4.167 ( 1.884 -2.216 4.579) 5.425 4.224 ( 0.762 0.299 -0.735) 1.100 4.794 ( 3.276 0.644 14.340) 14.724 4.862 ( 3.127 -3.451 13.096) 13.899 5.037 ( 1.367 0.469 -8.984) 9.100 5.182 ( 2.417 0.294 -16.830) 17.005 5.629 ( 5.613 -15.041 4.465) 16.663 5.754 ( 4.279 -6.922 -7.712) 11.212 5.917 ( 1.099 15.900 -1.475) 16.006 5.992 ( -0.295 11.812 -9.347) 15.065 7.162 ( 4.285 -3.824 8.174) 9.990 7.267 ( 4.316 -3.667 -3.534) 6.675 7.291 ( 3.729 0.156 6.344) 7.360 7.332 ( 3.127 4.165 1.638) 5.459 7.836 ( -2.367 2.499 5.938) 6.863 7.995 ( 0.239 0.932 -9.865) 9.912 8.957 ( 3.569 1.896 1.486) 4.305 8.982 ( 2.073 -0.727 -1.150) 2.480 10.756 ( 5.122 -4.038 16.873) 18.090 10.910 ( 1.779 -0.904 0.512) 2.060 12.021 ( -1.341 1.452 5.882) 6.205 12.296 ( 0.266 -3.941 -21.304) 21.667 13.140 ( 12.830 -12.173 10.630) 20.635 13.352 ( 12.855 -9.994 -9.358) 18.781 13.775 ( -12.230 13.068 1.747) 17.983 13.829 ( -15.093 14.551 -2.879) 21.162 14.217 ( -4.622 -2.291 7.969) 9.493 14.397 ( -6.379 -2.180 -9.391) 11.560 15.206 ( -3.257 -0.492 13.952) 14.335 15.485 ( -3.146 -0.531 -13.894) 14.256 16.042 ( -5.354 -0.051 2.231) 5.801 16.068 ( -5.790 -0.656 -0.416) 5.842 18.436 ( 0.544 0.519 2.604) 2.710 18.479 ( 1.170 1.357 -1.627) 2.420 19.058 ( 2.030 0.787 2.050) 2.991 19.113 ( 1.179 0.326 -3.678) 3.876 22.259 ( 2.659 -0.017 2.912) 3.943 22.305 ( 2.021 0.110 -1.770) 2.689 23.805 ( 9.032 -1.693 0.640) 9.212 23.828 ( 7.946 -0.592 -1.795) 8.167 24.035 ( 4.211 0.681 1.897) 4.669 24.063 ( 2.304 1.180 -1.002) 2.776 ======================= Grid point 364 (106/147) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 13.531 -0.000 23.702) 27.293 1.630 ( 19.757 -0.000 12.814) 23.549 1.960 ( 9.662 -0.000 -22.508) 24.494 2.024 ( 12.269 -0.000 -18.257) 21.996 3.046 ( 30.635 -0.000 36.564) 47.702 3.464 ( 9.345 -0.000 4.569) 10.402 3.687 ( 5.033 -0.000 3.203) 5.965 3.913 ( 23.335 -0.000 -31.280) 39.025 3.926 ( -0.583 0.000 9.736) 9.754 4.020 ( 6.461 -0.000 2.583) 6.958 4.466 ( 6.750 -0.000 6.421) 9.317 4.664 ( 8.775 -0.000 -4.194) 9.726 4.682 ( 4.657 -0.000 -10.003) 11.034 4.714 ( 13.482 -0.000 -12.036) 18.073 5.478 ( 12.100 -0.000 11.108) 16.426 5.707 ( 9.167 -0.000 -12.478) 15.483 6.263 ( 13.041 -0.000 12.369) 17.974 6.441 ( 11.214 -0.000 -6.365) 12.894 6.780 ( -1.994 0.000 13.035) 13.187 7.003 ( -2.749 0.000 -9.880) 10.256 7.380 ( 12.844 -0.000 10.363) 16.504 7.573 ( 13.569 -0.000 -9.718) 16.690 9.381 ( -14.317 0.000 1.834) 14.434 9.420 ( -15.590 0.000 -2.125) 15.734 11.059 ( 4.394 -0.000 13.209) 13.920 11.256 ( -37.305 0.000 46.348) 59.496 11.314 ( -0.717 0.000 -13.769) 13.787 11.878 ( -36.677 0.000 -17.538) 40.654 13.426 ( -17.251 0.000 0.273) 17.253 13.538 ( -16.135 0.000 -10.939) 19.493 14.489 ( -12.080 0.000 4.190) 12.786 14.591 ( -11.407 0.000 -7.436) 13.616 15.367 ( -9.932 0.000 11.554) 15.236 15.625 ( -11.059 0.000 -14.774) 18.455 16.083 ( -5.892 0.000 13.018) 14.289 16.278 ( -8.478 0.000 -7.473) 11.301 17.066 ( -12.220 0.000 1.767) 12.347 17.079 ( -11.215 0.000 0.677) 11.236 18.465 ( 14.695 -0.000 2.877) 14.974 18.543 ( 14.564 -0.000 -5.296) 15.497 18.777 ( -9.893 0.000 2.118) 10.117 18.814 ( -5.003 0.000 -1.410) 5.198 21.252 ( 32.179 -0.000 7.954) 33.147 21.358 ( 37.813 -0.000 -2.583) 37.901 21.882 ( 25.816 -0.000 1.217) 25.845 21.944 ( 12.760 -0.000 -4.510) 13.534 22.247 ( 32.712 -0.000 9.987) 34.203 22.555 ( 40.318 -0.000 -23.501) 46.667 ======================= Grid point 365 (107/147) ======================= q-point: ( 0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 18.838 -7.292 19.721) 28.231 2.046 ( 21.188 -2.997 9.031) 23.227 2.210 ( 14.729 -2.660 -20.149) 25.100 2.319 ( 16.773 -2.417 -14.287) 22.166 3.588 ( 22.171 -1.920 18.896) 29.194 3.638 ( 8.555 -0.123 7.543) 11.406 3.776 ( 5.245 0.964 8.716) 10.218 3.884 ( -1.577 0.552 9.502) 9.648 4.147 ( 6.672 -0.313 6.066) 9.023 4.378 ( 21.700 -1.834 -24.056) 32.449 4.591 ( 8.431 4.037 -0.586) 9.365 4.739 ( 5.367 0.501 -15.697) 16.597 4.858 ( 8.886 -2.173 2.604) 9.512 5.031 ( 15.745 -0.594 -11.662) 19.602 5.767 ( 18.668 3.160 8.025) 20.564 5.923 ( 14.275 3.199 -8.165) 16.753 6.531 ( 12.928 -1.226 11.391) 17.274 6.691 ( 14.108 0.560 -4.652) 14.866 6.771 ( 1.959 -1.008 10.966) 11.186 6.967 ( -0.417 -0.085 -8.779) 8.789 7.655 ( 15.203 0.834 9.683) 18.044 7.841 ( 13.858 1.767 -9.572) 16.935 9.106 ( -13.114 1.207 0.093) 13.170 9.114 ( -14.056 0.933 -0.619) 14.101 10.705 ( -17.890 1.720 36.575) 40.752 11.153 ( -8.952 10.242 -4.581) 14.354 11.334 ( 4.132 -12.166 0.585) 12.862 11.456 ( -2.150 -11.915 -16.618) 20.561 13.101 ( -15.662 0.597 7.099) 17.206 13.300 ( -10.972 -2.461 -11.607) 16.160 14.280 ( -9.099 0.068 4.224) 10.032 14.410 ( -7.439 -0.788 -10.541) 12.925 15.155 ( -12.826 -1.732 10.729) 16.812 15.388 ( -14.139 -0.816 -12.819) 19.102 15.894 ( -12.187 2.999 10.881) 16.610 16.048 ( -13.448 2.281 -5.578) 14.737 16.805 ( -14.783 0.235 2.363) 14.973 16.837 ( -14.253 -0.308 -0.752) 14.277 18.560 ( -3.428 4.035 2.471) 5.843 18.602 ( -2.106 4.350 -2.003) 5.232 18.760 ( 9.161 0.684 4.676) 10.308 18.878 ( 7.372 -1.470 -7.125) 10.357 21.733 ( 19.134 2.564 9.780) 21.641 21.913 ( 17.385 1.721 -8.606) 19.474 22.312 ( 29.657 -0.150 4.276) 29.964 22.398 ( 30.361 -0.161 -4.710) 30.724 22.949 ( 34.839 -1.087 12.310) 36.966 23.227 ( 28.736 -0.792 -16.305) 33.049 ======================= Grid point 366 (108/147) ======================= q-point: ( 0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 18.783 -6.443 15.833) 25.397 2.444 ( 16.919 -3.564 10.941) 20.462 2.533 ( 16.369 -2.344 -18.770) 25.015 2.668 ( 15.861 -5.137 -12.974) 21.125 3.722 ( 0.691 1.725 3.193) 3.694 3.767 ( 0.393 1.265 -0.911) 1.607 3.893 ( 3.723 -1.452 14.779) 15.310 4.003 ( 10.370 -4.947 5.610) 12.786 4.309 ( 10.608 -1.278 19.590) 22.314 4.712 ( 9.014 6.910 1.378) 11.441 4.748 ( 13.586 -3.568 -21.319) 25.531 4.894 ( 8.735 -3.046 -16.411) 18.838 5.028 ( 7.319 -3.249 9.225) 12.215 5.300 ( 12.178 0.297 -16.790) 20.743 6.092 ( 18.055 9.417 4.573) 20.870 6.171 ( 14.767 9.025 -3.649) 17.687 6.704 ( 4.356 -4.958 11.971) 13.670 6.907 ( 5.729 -1.474 -8.293) 10.186 6.929 ( 12.964 -0.513 9.178) 15.892 7.052 ( 10.535 -0.555 -3.707) 11.182 7.906 ( 10.927 2.189 5.751) 12.540 8.021 ( 5.676 3.898 -6.067) 9.177 8.909 ( -3.950 1.747 0.104) 4.320 8.924 ( -5.366 0.337 -1.367) 5.548 10.483 ( -6.164 -3.178 27.468) 28.330 10.866 ( -9.905 0.019 -9.624) 13.811 11.652 ( 11.416 -10.527 -4.787) 16.250 11.670 ( 16.338 -9.151 -4.314) 19.217 12.837 ( -11.121 0.047 14.372) 18.173 13.140 ( -7.504 -2.681 -14.327) 16.394 14.153 ( -3.729 0.821 5.344) 6.568 14.314 ( -2.870 0.915 -12.363) 12.725 14.887 ( -16.651 -0.784 8.991) 18.939 15.072 ( -20.004 -0.489 -9.525) 22.162 15.602 ( -14.196 4.532 10.499) 18.229 15.777 ( -11.959 2.165 -7.943) 14.519 16.508 ( -15.640 0.014 2.617) 15.857 16.542 ( -16.578 -0.870 -0.844) 16.622 18.480 ( -1.954 2.161 3.729) 4.733 18.539 ( -0.676 4.097 -2.286) 4.740 18.919 ( 7.754 2.143 2.940) 8.565 19.006 ( 5.311 0.162 -5.907) 7.946 22.003 ( 12.105 2.462 6.981) 14.189 22.127 ( 9.095 2.272 -5.574) 10.907 22.929 ( 30.575 -1.674 2.800) 30.748 22.994 ( 29.094 -2.031 -3.815) 29.413 23.529 ( 25.105 0.662 7.679) 26.262 23.684 ( 19.225 0.426 -8.118) 20.873 ======================= Grid point 367 (109/147) ======================= q-point: ( 0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 14.195 -1.615 12.294) 18.848 2.727 ( 11.045 -0.005 4.353) 11.872 2.847 ( 13.300 -4.296 -8.057) 16.133 2.976 ( 11.900 -4.819 -12.071) 17.622 3.672 ( -3.315 1.710 4.029) 5.491 3.728 ( -2.754 1.474 -1.803) 3.607 4.006 ( 4.638 -4.213 11.314) 12.933 4.153 ( 3.441 -3.547 -2.551) 5.562 4.549 ( 10.162 -5.650 19.068) 22.333 4.810 ( 6.682 6.690 2.475) 9.774 4.966 ( 6.149 -2.687 -11.644) 13.439 5.062 ( 6.176 -3.138 -12.141) 13.978 5.213 ( 7.635 -7.612 7.373) 13.061 5.498 ( 8.238 -1.405 -19.022) 20.777 6.259 ( 8.757 16.216 2.230) 18.564 6.298 ( 7.649 16.675 -1.492) 18.406 6.866 ( 7.076 -9.345 9.465) 15.066 7.029 ( 5.163 -6.195 -7.265) 10.854 7.168 ( 10.534 -0.011 9.145) 13.950 7.270 ( 10.270 1.341 -1.637) 10.486 7.998 ( -3.461 4.366 -0.252) 5.577 8.014 ( 2.198 1.996 -1.904) 3.527 8.900 ( 1.779 -0.836 1.040) 2.224 8.927 ( 5.482 2.481 -1.579) 6.221 10.506 ( 4.589 -5.691 22.120) 23.297 10.804 ( 1.653 -2.630 -7.101) 7.751 11.945 ( 10.273 -7.310 -2.703) 12.895 12.028 ( 11.368 -7.520 -9.336) 16.521 12.723 ( 0.140 -4.552 18.810) 19.354 13.074 ( -0.748 -3.715 -15.436) 15.894 14.118 ( 0.918 3.464 5.621) 6.666 14.264 ( -0.821 6.489 -9.160) 11.255 14.517 ( -20.769 2.931 4.755) 21.507 14.635 ( -23.733 0.074 -6.532) 24.616 15.332 ( -10.705 1.451 12.834) 16.776 15.579 ( -7.881 0.122 -12.238) 14.556 16.228 ( -12.811 0.242 1.863) 12.948 16.245 ( -13.808 -0.809 0.052) 13.832 18.449 ( -0.367 0.930 3.801) 3.930 18.513 ( 0.271 2.749 -2.616) 3.804 19.023 ( 4.534 1.660 2.000) 5.226 19.083 ( 3.072 0.498 -4.219) 5.243 22.177 ( 7.745 1.760 4.672) 9.215 22.256 ( 6.236 2.372 -3.361) 7.471 23.452 ( 21.784 -2.248 1.820) 21.975 23.497 ( 20.910 -2.628 -2.799) 21.260 23.895 ( 13.732 1.105 3.758) 14.280 23.964 ( 10.375 0.499 -3.296) 10.897 ======================= Grid point 368 (110/147) ======================= q-point: ( 0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 7.237 2.156 9.220) 11.918 2.866 ( 4.557 2.575 0.940) 5.318 3.087 ( 7.949 -3.960 -2.587) 9.250 3.174 ( 5.725 -1.643 -9.597) 11.295 3.594 ( -3.314 0.872 4.522) 5.674 3.659 ( -2.974 0.703 -2.371) 3.868 4.109 ( 2.227 -4.917 7.477) 9.222 4.214 ( 0.979 -1.733 -2.068) 2.870 4.746 ( 4.788 -7.643 12.911) 15.749 4.859 ( 2.502 4.808 8.900) 10.420 5.043 ( 1.531 -0.101 -6.759) 6.931 5.170 ( 2.313 -2.592 -13.777) 14.208 5.410 ( 4.673 -12.684 5.672) 14.659 5.643 ( 4.240 -5.553 -17.135) 18.504 6.210 ( 0.116 18.310 -0.159) 18.312 6.226 ( -0.426 20.256 -1.366) 20.306 7.059 ( 4.405 -9.177 7.690) 12.758 7.174 ( 3.362 -8.096 -4.653) 9.925 7.307 ( 3.811 0.694 8.536) 9.374 7.389 ( 3.506 3.209 -0.256) 4.760 7.880 ( -4.622 3.199 3.570) 6.659 8.000 ( -1.919 -0.230 -8.406) 8.626 8.943 ( 0.225 -2.009 3.785) 4.291 9.008 ( 3.538 2.446 -2.813) 5.140 10.693 ( 9.000 -4.161 18.734) 21.196 10.896 ( 4.015 -1.045 -1.825) 4.532 12.036 ( -2.008 0.597 1.996) 2.893 12.221 ( 5.110 -5.918 -16.572) 18.324 12.950 ( 14.061 -12.094 13.111) 22.713 13.207 ( 9.851 -8.588 -11.718) 17.554 13.956 ( -16.963 9.854 3.870) 19.996 14.030 ( -20.060 11.129 -3.234) 23.167 14.222 ( 1.710 3.524 6.242) 7.369 14.384 ( -1.585 0.286 -9.499) 9.635 15.190 ( -3.814 -1.476 14.084) 14.666 15.474 ( -2.980 -0.921 -14.294) 14.630 16.045 ( -5.016 0.397 1.969) 5.403 16.067 ( -4.391 0.427 -0.211) 4.416 18.441 ( -0.338 0.104 3.275) 3.294 18.497 ( -0.785 1.047 -2.315) 2.659 19.066 ( 0.730 0.427 1.745) 1.939 19.116 ( 0.641 0.123 -3.446) 3.508 22.271 ( 3.175 1.491 3.458) 4.925 22.327 ( 2.939 2.574 -2.271) 4.518 23.775 ( 9.521 -2.253 1.191) 9.856 23.808 ( 8.969 -2.005 -2.304) 9.474 24.044 ( 2.854 0.524 1.959) 3.501 24.073 ( 1.378 0.226 -1.090) 1.772 ======================= Grid point 369 (111/147) ======================= q-point: (-0.54 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -0.090 4.944 7.227) 8.757 2.872 ( -1.527 3.230 0.611) 3.625 3.175 ( -1.561 0.678 -1.956) 2.593 3.212 ( -0.945 1.792 -7.248) 7.526 3.556 ( -0.485 -1.565 4.720) 4.996 3.628 ( -0.216 -1.339 -2.660) 2.986 4.155 ( -0.934 -3.613 4.836) 6.109 4.217 ( -1.391 -0.530 -0.958) 1.770 4.810 ( -2.524 1.762 12.166) 12.550 4.847 ( -1.672 -3.897 13.534) 14.183 5.041 ( -1.406 0.656 -7.936) 8.086 5.178 ( -2.554 -0.428 -16.206) 16.411 5.568 ( 0.321 -16.301 5.023) 17.060 5.733 ( -0.755 -7.421 -11.097) 13.371 5.999 ( -6.406 19.697 -2.123) 20.821 6.024 ( -6.541 14.269 -5.090) 16.501 7.131 ( -3.707 -7.198 8.137) 11.478 7.237 ( -3.459 -6.909 -3.817) 8.618 7.294 ( -4.019 1.236 7.109) 8.260 7.352 ( -4.139 4.521 0.732) 6.173 7.814 ( -0.553 -0.413 5.441) 5.485 7.971 ( -2.033 -2.396 -10.067) 10.546 8.914 ( -5.166 -3.220 4.908) 7.819 9.004 ( -2.335 1.569 -4.363) 5.191 10.806 ( -0.139 2.602 15.508) 15.726 10.924 ( -0.482 0.981 2.090) 2.358 11.997 ( -0.465 -1.689 8.723) 8.897 12.334 ( 4.756 1.318 -24.407) 24.901 13.235 ( 0.051 -1.945 9.625) 9.819 13.439 ( -4.492 -2.420 -10.262) 11.460 13.622 ( -1.402 -4.157 4.609) 6.363 13.698 ( 1.184 0.217 -2.240) 2.543 14.282 ( 7.831 6.308 6.267) 11.848 14.444 ( 9.358 3.979 -9.393) 13.843 15.202 ( 3.354 -1.049 14.419) 14.841 15.488 ( 3.664 -0.209 -14.133) 14.601 16.049 ( 5.891 0.888 2.802) 6.583 16.085 ( 7.161 1.544 -0.943) 7.386 18.426 ( -1.677 -0.861 2.081) 2.808 18.458 ( -3.483 -1.349 -1.160) 3.911 19.044 ( -3.276 -1.026 2.470) 4.229 19.107 ( -1.666 -0.475 -4.026) 4.383 22.272 ( -1.885 1.723 3.316) 4.185 22.326 ( -1.049 2.781 -2.161) 3.674 23.818 ( -7.291 -0.427 0.088) 7.304 23.829 ( -7.644 -0.100 -1.105) 7.724 24.024 ( -5.616 -0.915 1.232) 5.822 24.040 ( -3.949 -1.803 -0.419) 4.362 ======================= Grid point 370 (112/147) ======================= q-point: (-0.46 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -6.233 7.468 6.882) 11.916 2.766 ( -6.753 3.835 0.447) 7.779 3.037 ( -8.821 6.162 -1.495) 10.863 3.110 ( -7.385 4.498 -7.881) 11.700 3.590 ( 1.152 -3.783 4.661) 6.112 3.655 ( 0.493 -3.291 -2.066) 3.917 4.111 ( -5.203 0.422 5.287) 7.430 4.182 ( -2.949 -1.961 -1.584) 3.879 4.680 ( -8.837 1.738 16.187) 18.523 4.780 ( -7.160 2.089 14.861) 16.628 4.979 ( -4.811 0.118 -12.247) 13.159 5.089 ( -6.437 0.011 -16.462) 17.676 5.568 ( -9.966 7.960 4.857) 13.648 5.666 ( -8.061 1.310 -3.795) 9.005 5.741 ( -9.231 -2.633 -2.051) 9.816 5.868 ( -5.601 -7.671 -13.694) 16.666 7.028 ( -10.384 -3.656 8.236) 13.749 7.116 ( -10.884 -1.411 0.431) 10.983 7.176 ( -9.973 -0.686 3.769) 10.683 7.193 ( -7.774 1.656 0.358) 7.956 7.849 ( 1.000 -4.366 3.043) 5.415 7.939 ( -4.245 -3.129 -5.883) 7.900 8.824 ( -5.606 -3.935 4.391) 8.136 8.922 ( -4.251 0.393 -5.646) 7.078 10.705 ( -3.867 6.717 16.730) 18.439 10.878 ( -2.313 1.887 -0.840) 3.101 12.036 ( 1.372 -1.039 8.724) 8.892 12.328 ( -2.409 9.795 -19.469) 21.927 13.018 ( -7.330 12.609 10.170) 17.781 13.246 ( -2.806 6.006 -12.166) 13.855 13.875 ( 10.000 -12.135 3.637) 16.139 13.954 ( 11.063 -12.116 -3.337) 16.743 14.480 ( 17.087 3.200 7.786) 19.048 14.694 ( 19.426 3.808 -12.926) 23.642 15.310 ( 7.119 -0.637 15.476) 17.047 15.591 ( 6.840 0.821 -13.090) 14.792 16.239 ( 13.866 1.420 4.415) 14.621 16.301 ( 15.975 2.913 -2.025) 16.364 18.382 ( -6.510 -5.162 0.599) 8.330 18.387 ( -4.446 -3.701 0.158) 5.787 18.961 ( -6.386 -2.166 4.568) 8.145 19.065 ( -3.050 -0.673 -5.966) 6.734 22.171 ( -7.340 1.964 4.465) 8.813 22.247 ( -5.110 2.549 -3.263) 6.577 23.518 ( -21.786 1.639 1.225) 21.882 23.552 ( -20.916 0.449 -2.346) 21.052 23.842 ( -15.037 -2.384 3.907) 15.718 23.910 ( -12.251 -3.310 -3.085) 13.060 ======================= Grid point 371 (113/147) ======================= q-point: (-0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -10.496 9.624 7.765) 16.220 2.561 ( -10.752 5.570 1.355) 12.184 2.765 ( -12.953 10.445 -2.542) 16.833 2.878 ( -11.633 8.079 -10.171) 17.437 3.625 ( -1.567 -4.650 4.006) 6.334 3.674 ( -1.880 -4.706 -1.360) 5.247 3.967 ( -7.776 2.152 10.785) 13.469 4.130 ( -4.053 -1.253 -4.853) 6.446 4.430 ( -15.976 5.232 18.890) 25.287 4.570 ( -10.118 2.684 16.687) 19.698 4.838 ( -11.179 -1.763 -17.747) 21.049 4.937 ( -9.208 3.010 -17.204) 19.744 5.244 ( -12.573 11.398 3.722) 17.374 5.376 ( -13.624 6.787 -8.898) 17.631 5.681 ( -10.816 -15.984 2.593) 19.473 5.809 ( -9.327 -12.286 -11.313) 19.129 6.826 ( -12.625 -3.092 7.613) 15.063 6.890 ( -13.517 -0.780 3.136) 13.898 6.961 ( -9.582 1.747 4.708) 10.818 7.036 ( -8.440 -1.679 -2.937) 9.092 7.824 ( -9.831 -2.777 1.185) 10.285 7.862 ( -4.986 -5.191 -2.479) 7.612 8.817 ( 3.048 -4.234 2.975) 6.005 8.895 ( 2.273 -1.480 -5.023) 5.708 10.620 ( 0.235 5.228 20.974) 21.617 10.860 ( 1.809 -0.342 -3.180) 3.674 11.996 ( -3.121 8.086 0.107) 8.668 12.134 ( -3.766 18.395 -13.097) 22.893 12.945 ( 8.490 9.015 15.994) 20.228 13.274 ( 8.554 5.175 -16.542) 19.328 14.106 ( 9.403 -2.787 5.394) 11.193 14.229 ( 10.875 -5.288 -7.077) 14.011 14.844 ( 19.051 -3.129 8.772) 21.206 15.075 ( 19.596 -0.089 -13.974) 24.068 15.495 ( 11.944 -0.926 14.605) 18.890 15.738 ( 9.554 1.224 -10.631) 14.346 16.518 ( 15.294 1.198 5.497) 16.296 16.603 ( 16.789 3.435 -3.264) 17.445 18.290 ( -8.876 -11.776 1.836) 14.860 18.325 ( -6.663 -8.892 -1.648) 11.233 18.841 ( -7.505 -2.183 7.930) 11.134 19.005 ( -3.320 0.035 -8.750) 9.359 21.960 ( -13.590 1.089 7.322) 15.475 22.093 ( -9.485 1.477 -6.219) 11.438 22.990 ( -31.255 1.822 2.404) 31.401 23.046 ( -30.681 0.649 -3.431) 30.879 23.481 ( -24.192 -2.748 7.554) 25.493 23.623 ( -20.037 -4.118 -7.032) 21.631 ======================= Grid point 372 (114/147) ======================= q-point: (-0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -14.295 10.197 9.909) 20.162 2.280 ( -12.027 11.316 7.705) 18.222 2.405 ( -14.877 11.856 -9.213) 21.137 2.566 ( -11.987 12.902 -14.127) 22.577 3.569 ( -8.080 -3.410 5.062) 10.126 3.636 ( -6.005 -5.003 -0.530) 7.834 3.818 ( -9.673 1.952 16.645) 19.350 3.933 ( -13.394 10.295 16.499) 23.614 4.128 ( -7.972 -3.182 1.842) 8.779 4.398 ( -9.129 -3.635 12.592) 15.972 4.542 ( -18.910 4.520 -28.423) 34.436 4.676 ( -13.976 0.773 -13.148) 19.204 4.989 ( -8.796 4.922 0.149) 10.080 5.077 ( -13.868 2.466 -6.403) 15.473 5.535 ( -13.708 -10.806 5.126) 18.192 5.697 ( -10.213 -10.027 -11.314) 18.244 6.595 ( -13.603 -1.264 6.953) 15.329 6.618 ( -14.833 -2.577 6.590) 16.434 6.826 ( -3.252 1.660 3.911) 5.351 6.931 ( -3.903 -3.387 -5.995) 7.915 7.611 ( -13.112 -1.358 6.081) 14.518 7.735 ( -10.930 -3.732 -6.479) 13.243 9.011 ( 12.740 -4.970 0.849) 13.702 9.041 ( 10.418 -3.472 -2.199) 11.199 10.648 ( 4.664 -0.783 26.994) 27.405 10.943 ( 3.900 -4.577 -3.470) 6.942 11.850 ( 1.602 19.116 0.220) 19.184 12.029 ( 8.501 20.682 -17.544) 28.422 13.149 ( 16.777 6.281 15.299) 23.558 13.461 ( 15.249 7.018 -15.461) 22.822 14.303 ( 11.191 2.123 6.956) 13.346 14.454 ( 11.278 1.439 -8.923) 14.452 15.196 ( 14.211 -2.801 8.226) 16.657 15.392 ( 12.206 -2.644 -10.066) 16.041 15.768 ( 14.685 -0.661 9.863) 17.703 15.946 ( 12.366 -0.578 -7.698) 14.577 16.784 ( 12.196 -1.005 4.633) 13.085 16.867 ( 12.580 1.798 -3.738) 13.246 18.235 ( -7.700 -17.040 1.883) 18.793 18.278 ( -7.560 -15.916 -2.259) 17.764 18.719 ( -6.072 -1.492 11.223) 12.847 18.939 ( -2.856 1.462 -11.290) 11.737 21.623 ( -22.327 -1.953 11.125) 25.021 21.837 ( -18.543 -1.197 -10.764) 21.474 22.330 ( -35.042 1.050 3.549) 35.237 22.400 ( -35.492 -0.328 -3.682) 35.684 22.988 ( -26.942 0.028 11.650) 29.353 23.226 ( -23.290 -2.425 -12.654) 26.616 ======================= Grid point 373 (115/147) ======================= q-point: (-0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -17.176 8.431 14.475) 23.992 1.931 ( -9.657 24.376 15.324) 30.369 2.085 ( -11.173 5.085 -17.941) 21.739 2.262 ( -7.636 16.782 -18.399) 26.047 3.229 ( -26.454 11.761 30.046) 41.724 3.460 ( -9.205 0.431 6.367) 11.201 3.600 ( -5.069 -5.124 6.242) 9.535 3.830 ( -5.036 -4.348 11.663) 13.427 3.992 ( -13.711 0.971 -20.163) 24.402 4.076 ( -13.578 5.995 -15.065) 21.149 4.333 ( -5.450 -6.319 2.868) 8.824 4.444 ( -11.893 -6.352 -5.081) 14.409 4.737 ( -14.345 1.169 0.088) 14.393 4.862 ( -6.364 3.646 -11.710) 13.817 5.361 ( -10.295 -6.883 9.501) 15.609 5.590 ( -7.109 -6.765 -13.457) 16.656 6.326 ( -12.257 3.045 9.649) 15.894 6.398 ( -11.102 -4.051 3.223) 12.250 6.795 ( 0.452 0.587 5.469) 5.519 6.932 ( 0.074 -5.523 -7.534) 9.342 7.375 ( -11.226 0.110 8.528) 14.098 7.536 ( -10.872 -1.305 -7.941) 13.526 9.307 ( 13.187 -4.509 0.539) 13.947 9.327 ( 14.798 -5.426 -1.455) 15.828 10.841 ( 12.077 -10.801 30.107) 34.190 11.035 ( 2.590 -2.229 4.345) 5.527 11.844 ( 13.181 19.779 3.822) 24.074 12.191 ( 23.675 15.094 -25.170) 37.708 13.445 ( 18.121 6.005 13.847) 23.583 13.745 ( 20.713 10.316 -15.251) 27.714 14.515 ( 12.711 2.526 7.071) 14.763 14.647 ( 10.883 3.238 -7.477) 13.595 15.389 ( 3.377 -1.606 8.912) 9.665 15.584 ( 4.668 -4.902 -9.404) 11.586 16.023 ( 10.846 -0.797 9.626) 14.524 16.200 ( 11.723 -2.550 -8.059) 14.453 16.997 ( 8.118 -4.501 3.307) 9.854 17.072 ( 9.852 -1.103 -3.725) 10.590 18.219 ( -8.497 -15.216 1.215) 17.470 18.242 ( -9.635 -14.450 -0.861) 17.389 18.680 ( 1.245 -5.394 10.862) 12.191 18.897 ( 0.978 1.612 -11.364) 11.519 21.124 ( -32.262 -5.524 12.000) 34.862 21.332 ( -35.068 -1.698 -8.236) 36.062 21.687 ( -33.931 -5.886 0.381) 34.440 21.735 ( -34.796 -3.893 -3.716) 35.210 22.514 ( -17.697 8.526 11.569) 22.798 22.790 ( -20.215 6.220 -17.214) 27.270 ======================= Grid point 374 (116/147) ======================= q-point: (-0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -10.179 6.864 23.514) 26.526 1.603 ( -4.541 25.961 19.251) 32.638 1.904 ( -4.336 3.525 -22.825) 23.499 2.033 ( -3.642 16.967 -22.272) 28.235 2.635 ( -22.043 14.114 43.606) 50.858 3.315 ( -5.717 1.437 -5.806) 8.274 3.530 ( -17.815 3.262 -16.096) 24.230 3.568 ( -2.209 -2.904 -1.762) 4.052 3.818 ( -5.726 -4.647 2.898) 7.924 3.959 ( -1.964 -2.300 -4.028) 5.037 4.284 ( -4.819 -3.787 4.292) 7.482 4.337 ( -4.764 -7.790 -2.660) 9.511 4.504 ( -8.480 -1.761 5.069) 10.035 4.754 ( -2.311 3.416 -18.037) 18.503 5.257 ( -5.000 -4.669 12.504) 14.253 5.528 ( -3.667 -4.338 -15.003) 16.042 6.110 ( -7.174 3.827 12.766) 15.136 6.259 ( -5.625 -2.393 -2.010) 6.435 6.817 ( 1.421 -0.508 8.457) 8.591 6.995 ( 1.554 -5.930 -8.919) 10.823 7.199 ( -6.332 1.149 9.426) 11.414 7.365 ( -6.662 0.741 -7.691) 10.202 9.566 ( 9.121 -4.495 1.693) 10.309 9.609 ( 9.498 -5.018 -2.721) 11.081 11.059 ( 1.311 2.921 13.772) 14.140 11.224 ( 11.871 -11.525 5.474) 17.427 12.161 ( 31.714 -0.395 25.921) 40.961 12.697 ( 32.234 2.715 -22.079) 39.165 13.770 ( 21.804 4.215 14.107) 26.309 14.111 ( 26.918 9.249 -18.213) 33.791 14.713 ( 6.959 1.645 6.644) 9.761 14.809 ( 6.006 1.692 -4.597) 7.751 15.342 ( -13.074 -12.273 13.863) 22.666 15.624 ( -6.982 -12.020 -13.714) 19.527 16.172 ( 4.812 3.348 9.368) 11.051 16.377 ( 4.922 2.565 -11.077) 12.390 17.181 ( 7.816 -6.537 6.787) 12.242 17.291 ( 12.237 -1.803 -2.122) 12.549 18.007 ( -21.992 -9.299 4.535) 24.304 18.144 ( -6.826 -2.589 -7.185) 10.243 18.844 ( 8.119 -7.738 8.028) 13.792 19.004 ( 9.958 -0.688 -9.024) 13.456 20.509 ( -34.721 -4.909 6.051) 35.585 20.605 ( -37.670 1.272 -2.785) 37.795 21.109 ( -34.225 -13.022 0.327) 36.620 21.169 ( -23.424 -8.574 -4.906) 25.422 22.198 ( -6.433 16.042 5.577) 18.161 22.378 ( -11.589 21.131 -14.528) 28.141 ======================= Grid point 375 (117/147) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 0.000 3.838 30.079) 30.323 1.382 ( 0.000 22.025 25.364) 33.592 1.850 ( 0.000 2.428 -26.784) 26.894 1.870 ( 0.000 14.354 -24.036) 27.996 2.307 ( 0.000 10.492 49.154) 50.262 3.219 ( 0.000 4.362 -42.603) 42.826 3.341 ( 0.000 0.077 12.580) 12.580 3.553 ( -0.000 -0.287 -9.435) 9.440 3.803 ( -0.000 -7.095 14.095) 15.780 3.971 ( -0.000 -2.423 -1.393) 2.794 4.249 ( -0.000 -2.052 3.644) 4.182 4.315 ( -0.000 -2.087 -3.040) 3.688 4.470 ( -0.000 -6.646 3.805) 7.658 4.710 ( 0.000 3.735 -17.927) 18.311 5.238 ( -0.000 -3.091 13.130) 13.489 5.517 ( -0.000 -2.747 -15.419) 15.662 6.011 ( 0.000 3.341 14.899) 15.269 6.219 ( -0.000 -1.352 -6.410) 6.551 6.840 ( -0.000 -0.771 11.392) 11.418 7.054 ( -0.000 -4.648 -10.125) 11.141 7.127 ( 0.000 1.225 9.569) 9.647 7.289 ( 0.000 1.295 -7.135) 7.251 9.688 ( -0.000 -3.540 1.963) 4.048 9.736 ( -0.000 -3.884 -3.001) 4.909 11.038 ( 0.000 4.649 16.412) 17.057 11.361 ( -0.000 -1.420 -15.333) 15.399 12.694 ( -0.000 -19.242 25.144) 31.662 13.127 ( -0.000 -4.101 -20.467) 20.874 14.229 ( -0.000 -0.065 16.087) 16.087 14.584 ( -0.000 -0.036 -20.252) 20.252 14.648 ( -0.000 -5.145 9.092) 10.447 14.735 ( 0.000 2.042 -0.910) 2.236 15.246 ( -0.000 -24.285 20.856) 32.012 15.612 ( -0.000 -18.908 -16.561) 25.135 16.154 ( 0.000 10.881 4.923) 11.943 16.320 ( 0.000 16.817 -11.854) 20.575 17.345 ( -0.000 -4.614 13.827) 14.577 17.591 ( -0.000 -0.050 26.163) 26.163 17.620 ( -0.000 -7.047 -14.034) 15.704 18.089 ( -0.000 -0.044 -25.034) 25.034 18.983 ( -0.000 -4.186 8.105) 9.122 19.134 ( 0.000 4.084 -8.427) 9.364 20.016 ( 0.000 0.017 11.144) 11.144 20.203 ( 0.000 0.001 -8.139) 8.139 20.826 ( -0.000 -14.728 10.783) 18.254 21.003 ( -0.000 -9.300 -8.083) 12.322 22.012 ( 0.000 17.817 0.760) 17.833 22.074 ( 0.000 27.820 -6.689) 28.613 ======================= Grid point 378 (118/147) ======================= q-point: ( 0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 21.450 -0.000 17.270) 27.538 2.414 ( 17.600 -0.000 9.726) 20.108 2.523 ( 17.940 -0.000 -20.690) 27.385 2.626 ( 15.394 -0.000 -11.308) 19.101 3.734 ( 0.676 -0.000 3.083) 3.156 3.775 ( 0.619 -0.000 -0.476) 0.781 3.883 ( 2.488 -0.000 14.531) 14.742 3.965 ( 10.775 -0.000 7.356) 13.047 4.300 ( 9.814 -0.000 19.615) 21.933 4.715 ( 13.968 -0.000 -16.380) 21.527 4.802 ( 10.557 -0.000 -6.326) 12.307 4.838 ( 6.055 -0.000 -16.830) 17.886 5.006 ( 7.047 -0.000 10.747) 12.851 5.305 ( 12.318 -0.000 -17.449) 21.359 6.167 ( 20.344 -0.000 5.013) 20.952 6.242 ( 16.590 -0.000 -2.842) 16.832 6.662 ( 2.122 -0.000 13.342) 13.509 6.893 ( 3.673 -0.000 -10.262) 10.900 6.924 ( 13.062 -0.000 9.177) 15.963 7.047 ( 11.356 -0.000 -4.040) 12.053 7.923 ( 11.003 -0.000 6.526) 12.793 8.051 ( 5.624 -0.000 -6.665) 8.721 8.924 ( -5.914 0.000 -0.547) 5.940 8.924 ( -4.060 0.000 -0.519) 4.093 10.459 ( -7.307 0.000 28.193) 29.125 10.866 ( -12.154 0.000 -11.265) 16.572 11.572 ( 12.706 -0.000 -3.587) 13.202 11.599 ( 19.244 -0.000 -3.230) 19.514 12.840 ( -11.449 0.000 12.797) 17.171 13.120 ( -7.060 0.000 -13.332) 15.086 14.159 ( -3.321 0.000 5.011) 6.011 14.320 ( -1.863 0.000 -12.966) 13.099 14.879 ( -15.552 0.000 9.748) 18.355 15.068 ( -19.418 0.000 -9.196) 21.485 15.639 ( -15.039 0.000 9.320) 17.693 15.795 ( -12.906 0.000 -7.260) 14.808 16.509 ( -15.605 0.000 2.286) 15.772 16.536 ( -16.558 0.000 -0.495) 16.566 18.495 ( -2.989 0.000 4.313) 5.248 18.569 ( -1.892 0.000 -3.106) 3.637 18.936 ( 7.455 -0.000 2.223) 7.779 19.007 ( 5.652 -0.000 -5.180) 7.667 22.024 ( 11.528 -0.000 6.957) 13.465 22.146 ( 8.936 -0.000 -5.455) 10.469 22.916 ( 30.476 -0.000 2.684) 30.594 22.977 ( 28.871 -0.000 -3.546) 29.088 23.534 ( 25.386 -0.000 7.371) 26.434 23.686 ( 19.278 -0.000 -8.161) 20.934 ======================= Grid point 379 (119/147) ======================= q-point: ( 0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 18.317 0.075 14.153) 23.147 2.708 ( 12.447 -1.755 9.500) 15.756 2.839 ( 14.247 2.635 -15.394) 21.140 2.905 ( 12.531 -4.595 -12.202) 18.084 3.689 ( -3.846 0.557 3.663) 5.341 3.742 ( -3.194 0.439 -1.756) 3.671 3.960 ( 3.885 -1.694 12.419) 13.123 4.108 ( 4.348 -1.942 -2.038) 5.180 4.496 ( 8.887 -1.645 21.788) 23.588 4.913 ( 6.289 6.710 -6.882) 11.487 4.924 ( 7.283 -1.891 -13.682) 15.615 5.006 ( 5.922 -4.851 -12.900) 15.000 5.137 ( 5.901 -2.603 15.708) 16.980 5.493 ( 7.397 0.087 -19.950) 21.278 6.468 ( 12.401 11.313 3.734) 17.196 6.499 ( 11.877 8.763 0.403) 14.765 6.723 ( 3.439 -9.012 11.664) 15.136 6.940 ( 1.465 -4.613 -10.140) 11.236 7.166 ( 10.823 -0.132 8.810) 13.956 7.279 ( 10.776 0.194 -3.525) 11.340 8.036 ( 1.064 0.797 -0.615) 1.465 8.044 ( -4.329 1.668 -1.491) 4.873 8.889 ( 1.184 -0.482 3.323) 3.560 8.954 ( 5.476 0.969 -3.149) 6.391 10.445 ( 4.909 -2.260 23.133) 23.756 10.774 ( 1.684 -1.188 -9.092) 9.323 11.857 ( 14.003 -3.481 -1.440) 14.501 11.950 ( 13.540 -2.855 -8.871) 16.438 12.687 ( -3.110 -0.885 18.814) 19.090 13.039 ( -1.199 -1.128 -15.157) 15.246 14.148 ( 1.705 0.890 6.336) 6.621 14.323 ( 2.338 1.828 -12.270) 12.624 14.546 ( -18.894 1.008 5.310) 19.652 14.642 ( -23.831 0.453 -4.185) 24.200 15.353 ( -13.233 0.942 11.339) 17.452 15.581 ( -8.996 0.124 -12.002) 15.000 16.233 ( -12.792 0.342 1.230) 12.855 16.238 ( -12.961 -0.349 0.727) 12.986 18.457 ( -1.079 0.218 4.622) 4.751 18.539 ( -0.963 0.883 -3.659) 3.886 19.040 ( 3.728 0.614 1.436) 4.041 19.088 ( 2.909 0.192 -3.643) 4.666 22.200 ( 7.468 0.995 5.107) 9.102 22.287 ( 6.372 1.341 -3.737) 7.507 23.427 ( 21.808 -0.971 1.620) 21.889 23.466 ( 20.988 -1.272 -2.343) 21.157 23.906 ( 13.525 0.365 3.198) 13.903 23.967 ( 10.077 0.017 -3.016) 10.519 ======================= Grid point 380 (120/147) ======================= q-point: ( 0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 10.263 4.219 9.877) 14.855 2.902 ( 6.566 1.112 5.352) 8.543 3.040 ( 8.395 -1.504 -5.746) 10.284 3.143 ( 8.352 -2.453 -12.088) 14.896 3.603 ( -4.384 0.356 4.232) 6.104 3.667 ( -3.876 0.290 -2.507) 4.625 4.040 ( 2.084 -3.807 9.740) 10.663 4.180 ( 1.581 -2.386 -3.473) 4.500 4.647 ( 4.358 -4.854 17.685) 18.850 4.947 ( 2.288 6.519 -3.802) 7.885 5.031 ( 2.370 -1.373 -6.912) 7.434 5.113 ( 2.153 -4.271 -10.136) 11.208 5.264 ( 3.182 -7.189 10.988) 13.511 5.596 ( 3.103 -1.408 -20.018) 20.306 6.463 ( 0.153 16.582 5.531) 17.480 6.528 ( 1.854 19.011 -1.144) 19.135 6.902 ( 3.993 -11.899 7.303) 14.521 7.032 ( 1.233 -10.922 -6.241) 12.639 7.312 ( 4.074 0.164 9.006) 9.886 7.423 ( 4.278 1.354 -2.936) 5.363 7.922 ( -5.794 2.205 0.805) 6.251 7.992 ( -4.199 -0.726 -6.421) 7.706 8.916 ( -0.510 -1.483 7.264) 7.432 9.038 ( 2.929 1.487 -5.246) 6.189 10.641 ( 11.633 -2.696 20.200) 23.465 10.881 ( 6.085 -0.812 -3.835) 7.238 12.041 ( -1.409 0.267 -1.909) 2.388 12.136 ( 8.969 -4.954 -12.031) 15.803 12.809 ( 12.056 -6.681 15.959) 21.087 13.112 ( 6.697 -4.224 -13.761) 15.877 14.038 ( -19.266 2.114 7.338) 20.724 14.149 ( -19.416 5.395 -2.028) 20.254 14.308 ( 3.105 6.166 0.773) 6.947 14.399 ( 3.096 1.413 -9.129) 9.743 15.168 ( -5.101 -1.316 14.487) 15.415 15.461 ( -3.235 -0.779 -14.889) 15.256 16.053 ( -4.486 0.493 2.008) 4.940 16.076 ( -3.625 0.593 -0.292) 3.685 18.441 ( -0.843 -0.080 3.850) 3.942 18.509 ( -2.014 0.558 -2.964) 3.627 19.071 ( -0.275 0.152 1.581) 1.612 19.117 ( 0.215 0.004 -3.325) 3.332 22.296 ( 3.462 1.592 4.286) 5.734 22.368 ( 3.430 2.492 -3.046) 5.221 23.745 ( 9.741 -1.649 1.254) 9.959 23.777 ( 9.598 -1.903 -2.098) 10.007 24.050 ( 2.083 0.323 1.490) 2.581 24.073 ( 0.927 -0.194 -0.824) 1.255 ======================= Grid point 381 (121/147) ======================= q-point: ( 0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 2.466 6.427 6.005) 9.134 2.934 ( -0.490 4.717 1.654) 5.023 3.167 ( 2.202 -1.372 -0.729) 2.695 3.239 ( 1.333 1.653 -8.318) 8.585 3.533 ( -2.791 -1.462 4.504) 5.497 3.608 ( -2.097 -1.242 -3.274) 4.081 4.086 ( -0.946 -4.947 7.639) 9.150 4.200 ( -1.222 -1.791 -2.877) 3.603 4.734 ( 0.098 -6.832 14.099) 15.668 4.896 ( -2.956 6.227 5.390) 8.750 5.045 ( -1.092 -0.113 -6.271) 6.367 5.149 ( -1.815 -3.775 -13.033) 13.689 5.358 ( -0.526 -11.465 8.339) 14.187 5.639 ( -0.766 -4.268 -18.678) 19.174 6.267 ( -7.230 17.390 3.045) 19.078 6.318 ( -7.104 22.113 -2.083) 23.319 6.990 ( -4.317 -11.335 7.499) 14.260 7.099 ( -4.021 -11.647 -4.342) 13.065 7.311 ( -3.734 0.808 8.970) 9.750 7.412 ( -3.548 3.350 -1.831) 5.212 7.820 ( -2.924 1.015 1.979) 3.674 7.927 ( -3.675 -3.353 -8.686) 10.010 8.870 ( -5.703 -2.613 8.722) 10.744 9.025 ( -3.140 1.164 -7.252) 7.988 10.831 ( 4.811 0.880 15.285) 16.048 10.940 ( -0.106 1.101 2.314) 2.565 11.975 ( -2.194 -1.142 10.307) 10.600 12.340 ( 9.510 -0.264 -25.452) 27.172 13.124 ( 10.436 -9.503 9.035) 16.759 13.311 ( 5.859 -9.675 -9.746) 14.931 13.645 ( -13.796 3.028 8.776) 16.628 13.783 ( -10.461 7.827 -4.434) 13.797 14.390 ( 9.170 7.671 2.951) 12.314 14.505 ( 10.543 3.920 -8.522) 14.112 15.177 ( 3.540 -2.109 15.458) 15.998 15.480 ( 4.070 -0.871 -14.818) 15.392 16.067 ( 6.714 1.404 3.045) 7.505 16.109 ( 8.140 1.545 -1.292) 8.386 18.413 ( -2.751 -0.822 1.813) 3.396 18.441 ( -5.557 -0.976 -0.976) 5.726 19.029 ( -4.217 -0.907 2.903) 5.199 19.100 ( -2.002 -0.437 -4.408) 4.861 22.305 ( -1.109 2.414 4.244) 5.007 22.376 ( -0.319 3.602 -3.037) 4.722 23.799 ( -5.929 -1.551 0.749) 6.174 23.824 ( -6.866 -0.786 -1.789) 7.138 24.009 ( -6.217 -0.989 0.820) 6.348 24.016 ( -6.421 -1.272 0.124) 6.547 ======================= Grid point 382 (122/147) ======================= q-point: (-0.54 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -4.596 8.510 3.896) 10.427 2.838 ( -5.059 5.636 1.102) 7.653 3.113 ( -6.000 4.159 0.134) 7.302 3.181 ( -4.721 5.120 -6.656) 9.633 3.529 ( -0.443 -4.509 4.655) 6.496 3.603 ( -1.053 -3.725 -2.837) 4.799 4.070 ( -4.796 -5.166 5.931) 9.212 4.157 ( -4.336 -1.400 -2.251) 5.082 4.730 ( -6.925 1.856 11.835) 13.837 4.754 ( -5.668 -1.243 14.120) 15.266 4.993 ( -4.415 0.927 -8.642) 9.749 5.093 ( -5.263 -0.266 -15.612) 16.478 5.411 ( -4.428 -14.856 6.587) 16.844 5.621 ( -5.665 -6.090 -13.582) 15.926 5.947 ( -12.879 15.572 -1.710) 20.280 5.964 ( -12.388 19.967 -3.391) 23.741 6.908 ( -12.304 -11.066 8.316) 18.520 7.028 ( -11.616 -10.160 -4.644) 16.116 7.177 ( -8.667 1.334 8.000) 11.870 7.255 ( -9.033 4.453 -0.447) 10.081 7.800 ( -0.363 -2.249 2.122) 3.113 7.887 ( -4.220 -3.919 -6.400) 8.610 8.768 ( -5.922 -3.507 7.915) 10.489 8.927 ( -5.276 0.361 -8.434) 9.955 10.795 ( -3.442 5.374 12.985) 14.468 10.899 ( -2.770 1.060 1.804) 3.471 12.011 ( 3.450 -1.909 16.389) 16.856 12.452 ( 3.487 7.067 -26.213) 27.372 13.157 ( -5.136 4.738 4.854) 8.508 13.302 ( -4.309 1.086 -9.541) 10.525 13.712 ( 13.470 -8.610 7.017) 17.458 13.811 ( 11.619 -6.020 -1.931) 13.228 14.562 ( 14.648 7.332 5.914) 17.416 14.756 ( 18.315 4.453 -13.276) 23.054 15.293 ( 6.845 -1.771 16.807) 18.234 15.599 ( 7.652 0.124 -14.447) 16.348 16.270 ( 14.976 2.675 5.367) 16.132 16.347 ( 17.150 3.065 -2.581) 17.611 18.302 ( -11.190 -5.104 1.640) 12.408 18.334 ( -7.499 -3.565 -1.552) 8.447 18.932 ( -6.542 -1.702 5.940) 8.999 19.055 ( -2.863 -0.588 -6.641) 7.256 22.213 ( -6.431 3.451 5.099) 8.903 22.301 ( -4.504 4.405 -3.849) 7.383 23.534 ( -21.613 0.413 0.445) 21.621 23.549 ( -20.999 -0.617 -1.145) 21.039 23.806 ( -16.012 -2.345 2.779) 16.419 23.855 ( -13.660 -3.841 -2.219) 14.362 ======================= Grid point 383 (123/147) ======================= q-point: (-0.46 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -10.508 8.655 4.645) 14.384 2.660 ( -8.348 7.554 -0.781) 11.285 2.910 ( -9.739 9.004 0.750) 13.285 2.999 ( -8.420 8.430 -7.022) 13.830 3.549 ( -2.228 -5.631 4.082) 7.303 3.599 ( -3.244 -5.465 -1.376) 6.502 3.971 ( -8.374 -2.438 6.756) 11.032 4.076 ( -5.542 -4.383 -3.799) 8.022 4.492 ( -12.949 4.570 15.784) 20.921 4.637 ( -8.987 2.343 17.845) 20.117 4.828 ( -11.840 1.859 -15.982) 19.977 4.980 ( -5.484 2.780 -14.409) 15.666 5.351 ( -13.344 -4.594 6.298) 15.454 5.477 ( -11.510 -1.090 -4.461) 12.393 5.547 ( -14.579 10.940 -1.721) 18.309 5.681 ( -9.310 -1.793 -14.139) 17.024 6.711 ( -15.761 -10.736 8.754) 20.984 6.837 ( -14.508 -8.278 -4.400) 17.273 6.985 ( -9.704 1.467 6.746) 11.909 7.042 ( -9.231 2.672 0.468) 9.621 7.780 ( -7.278 -3.265 0.164) 7.979 7.803 ( -5.350 -2.802 -1.937) 6.342 8.752 ( 2.382 -4.431 5.219) 7.249 8.873 ( 0.576 -1.365 -7.225) 7.376 10.695 ( -2.390 4.777 15.844) 16.720 10.854 ( -0.802 -0.428 -0.565) 1.071 12.074 ( 2.677 2.919 10.261) 10.998 12.385 ( 0.244 15.286 -19.609) 24.864 13.097 ( 7.217 10.178 9.845) 15.893 13.332 ( 8.312 2.271 -14.086) 16.512 14.049 ( 15.034 -4.863 5.383) 16.693 14.140 ( 15.892 -6.204 -3.682) 17.453 14.829 ( 16.093 1.822 9.613) 18.834 15.085 ( 16.467 1.615 -15.408) 22.609 15.490 ( 13.845 -0.113 15.454) 20.749 15.771 ( 11.417 2.621 -13.136) 17.600 16.551 ( 15.430 3.466 7.323) 17.428 16.662 ( 17.260 4.493 -4.164) 18.315 18.104 ( -15.392 -12.923 3.328) 20.371 18.179 ( -13.420 -10.479 -4.429) 17.593 18.816 ( -6.542 -1.274 9.984) 12.004 19.004 ( -2.702 -0.159 -9.397) 9.779 21.998 ( -13.474 3.874 7.598) 15.947 22.137 ( -9.551 4.195 -6.496) 12.290 23.011 ( -31.568 0.948 1.636) 31.625 23.045 ( -31.376 -0.694 -1.843) 31.437 23.434 ( -24.376 -3.437 5.906) 25.316 23.550 ( -21.138 -5.625 -5.805) 22.631 ======================= Grid point 384 (124/147) ======================= q-point: (-0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -15.287 8.686 7.162) 18.985 2.417 ( -10.627 7.911 -4.411) 13.963 2.617 ( -11.136 14.980 2.568) 18.842 2.757 ( -8.297 12.483 -9.161) 17.567 3.506 ( -6.432 -5.101 3.702) 9.005 3.550 ( -6.508 -6.295 -0.806) 9.090 3.819 ( -8.021 -1.218 12.318) 14.750 4.020 ( -4.665 -5.837 -7.731) 10.751 4.143 ( -18.502 9.953 20.023) 29.022 4.403 ( -9.975 5.011 18.972) 22.012 4.547 ( -16.843 -1.324 -19.020) 25.440 4.775 ( -13.327 9.771 -18.536) 24.833 5.048 ( -13.749 2.301 2.379) 14.142 5.128 ( -16.182 4.981 -4.453) 17.507 5.383 ( -10.042 -8.823 2.726) 13.643 5.561 ( -7.748 -7.525 -13.499) 17.289 6.490 ( -14.705 -9.841 9.574) 20.118 6.603 ( -14.405 -3.824 -0.932) 14.933 6.828 ( -5.741 -1.691 4.077) 7.242 6.891 ( -5.560 -0.675 -1.394) 5.771 7.595 ( -11.679 -0.871 4.645) 12.599 7.693 ( -8.651 -1.990 -5.131) 10.253 8.931 ( 11.622 -5.666 2.021) 13.086 8.988 ( 9.134 -3.526 -3.901) 10.540 10.647 ( -0.088 0.630 21.494) 21.504 10.886 ( 2.671 -3.171 -2.793) 4.999 12.082 ( 4.806 11.665 3.561) 13.109 12.318 ( 6.902 18.426 -18.637) 27.101 13.281 ( 18.581 10.904 13.525) 25.437 13.557 ( 17.643 5.571 -14.183) 23.313 14.338 ( 13.932 2.065 6.705) 15.599 14.466 ( 14.921 0.069 -6.426) 16.246 15.126 ( 12.821 -5.067 9.861) 16.950 15.339 ( 9.502 -3.734 -8.943) 13.572 15.799 ( 17.705 4.064 7.780) 19.761 15.986 ( 13.574 5.556 -9.590) 17.524 16.775 ( 8.928 0.096 6.702) 11.164 16.901 ( 10.003 2.863 -5.991) 12.006 17.961 ( -10.553 -19.727 2.841) 22.552 18.023 ( -12.206 -18.302 -3.578) 22.288 18.700 ( -6.549 -1.131 13.437) 14.991 18.952 ( -2.818 0.279 -12.506) 12.823 21.623 ( -23.859 1.831 11.422) 26.516 21.842 ( -20.302 1.719 -11.028) 23.167 22.345 ( -36.123 0.970 2.731) 36.239 22.391 ( -36.302 -0.829 -1.778) 36.355 22.971 ( -24.354 -2.309 9.574) 26.271 23.169 ( -21.570 -5.159 -10.413) 24.502 ======================= Grid point 385 (125/147) ======================= q-point: (-0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -17.114 9.024 12.156) 22.849 2.158 ( -10.054 6.490 -11.712) 16.744 2.284 ( -9.414 20.587 8.058) 24.029 2.515 ( -5.470 16.542 -12.967) 21.718 3.358 ( -12.016 2.468 10.682) 16.266 3.469 ( -6.707 -3.820 -0.493) 7.734 3.584 ( -13.647 8.506 22.297) 27.490 3.785 ( -9.741 -0.145 13.916) 16.987 3.960 ( -7.279 -4.408 -12.085) 14.780 4.181 ( -15.016 5.130 -15.114) 21.915 4.259 ( -8.105 -3.111 0.960) 8.735 4.411 ( -14.649 4.411 -7.139) 16.882 4.740 ( -16.865 -0.702 2.123) 17.012 4.898 ( -7.461 1.137 -11.444) 13.708 5.254 ( -8.728 -7.243 8.030) 13.897 5.488 ( -5.421 -6.708 -14.084) 16.515 6.308 ( -10.738 -7.677 8.774) 15.850 6.360 ( -11.674 0.445 4.480) 12.513 6.787 ( -1.207 -3.411 1.240) 3.824 6.840 ( -1.915 -4.887 -3.383) 6.244 7.381 ( -9.957 0.709 7.615) 12.555 7.527 ( -8.673 0.008 -7.056) 11.181 9.227 ( 12.856 -6.297 0.270) 14.318 9.247 ( 13.791 -5.162 -1.825) 14.838 10.715 ( 6.084 -6.494 28.730) 30.076 10.995 ( 5.727 -3.154 -0.505) 6.558 12.119 ( 10.184 16.395 1.224) 19.339 12.397 ( 14.052 12.829 -24.322) 30.881 13.588 ( 21.199 12.833 16.434) 29.735 13.901 ( 23.216 10.342 -14.628) 29.324 14.568 ( 13.057 4.392 7.707) 15.785 14.698 ( 10.867 3.459 -6.353) 13.054 15.324 ( -0.061 -6.737 8.663) 10.974 15.490 ( 1.272 -6.868 -5.650) 8.984 16.038 ( 9.923 2.363 7.246) 12.512 16.191 ( 10.233 1.399 -8.182) 13.176 16.916 ( 4.743 -6.328 3.789) 8.769 17.041 ( 6.611 -3.410 -8.185) 11.061 17.988 ( -3.549 -15.421 2.610) 16.038 18.025 ( -0.119 -13.972 -0.939) 14.004 18.603 ( -3.833 -4.907 14.998) 16.239 18.899 ( -2.176 -1.107 -15.377) 15.570 21.069 ( -32.764 -1.752 13.585) 35.512 21.312 ( -33.377 -0.841 -10.763) 35.080 21.634 ( -37.637 -1.858 2.907) 37.795 21.700 ( -36.626 -1.241 -3.395) 36.804 22.600 ( -13.338 3.221 10.401) 17.218 22.837 ( -14.384 0.449 -13.824) 19.955 ======================= Grid point 386 (126/147) ======================= q-point: (-0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -11.037 8.635 21.209) 25.421 1.969 ( -5.565 15.079 8.572) 18.216 1.971 ( -5.317 12.397 -12.819) 18.609 2.307 ( -2.709 18.858 -17.289) 25.727 2.928 ( -15.676 24.827 32.418) 43.738 3.335 ( -3.648 1.580 3.217) 5.115 3.508 ( -0.138 -4.900 3.254) 5.883 3.565 ( -14.803 0.262 -3.923) 15.316 3.783 ( -10.529 -0.577 -10.863) 15.139 3.927 ( -5.953 0.460 -18.529) 19.467 4.219 ( -2.778 -4.864 4.332) 7.081 4.232 ( -3.675 -5.602 2.428) 7.126 4.473 ( -11.423 -2.608 8.648) 14.563 4.781 ( -3.934 0.268 -19.655) 20.047 5.175 ( -4.508 -6.190 12.557) 14.708 5.452 ( -2.969 -5.638 -15.315) 16.587 6.165 ( -6.578 3.001 8.786) 11.378 6.202 ( -5.528 -5.253 5.396) 9.342 6.804 ( 0.606 -1.712 2.000) 2.701 6.882 ( 0.392 -8.868 -5.357) 10.368 7.221 ( -5.538 1.782 9.126) 10.822 7.383 ( -5.266 1.629 -7.448) 9.266 9.486 ( 8.688 -6.050 1.228) 10.658 9.525 ( 9.423 -5.978 -2.801) 11.505 10.988 ( 11.679 -13.450 26.338) 31.796 11.123 ( 6.296 -0.002 8.976) 10.964 12.247 ( 14.470 10.232 8.542) 19.673 12.699 ( 20.950 -1.293 -30.895) 37.351 13.886 ( 20.352 11.021 19.115) 30.017 14.258 ( 22.291 10.228 -17.787) 30.297 14.752 ( 6.027 3.796 8.096) 10.783 14.839 ( 5.227 2.295 -2.771) 6.346 15.165 ( -19.925 -11.144 13.678) 26.614 15.447 ( -12.629 -11.100 -13.447) 21.529 16.191 ( 6.125 -1.242 9.355) 11.251 16.369 ( 7.211 -4.268 -8.406) 11.870 17.084 ( 8.140 -6.128 5.384) 11.523 17.247 ( 11.708 -3.806 -9.254) 15.401 17.883 ( -16.992 -6.691 11.250) 21.450 18.111 ( -0.017 -1.641 -10.096) 10.229 18.731 ( 11.458 -7.137 10.954) 17.384 18.965 ( 9.106 -4.478 -13.614) 16.980 20.450 ( -32.086 -2.561 11.119) 34.054 20.629 ( -35.712 1.896 -6.317) 36.316 20.988 ( -31.640 -4.596 3.197) 32.132 21.078 ( -24.261 -4.019 -4.830) 25.061 22.390 ( -4.663 9.555 7.896) 13.244 22.605 ( -6.440 9.844 -14.680) 18.811 ======================= Grid point 387 (127/147) ======================= q-point: (-0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.000 6.724 27.994) 28.790 1.735 ( 0.000 23.044 21.996) 31.857 1.901 ( 0.000 4.426 -25.752) 26.130 2.134 ( 0.000 19.801 -20.200) 28.287 2.566 ( 0.000 25.178 40.104) 47.353 3.308 ( 0.000 7.089 -29.541) 30.380 3.343 ( 0.000 0.232 12.104) 12.106 3.547 ( -0.000 -0.472 -9.098) 9.111 3.690 ( -0.000 -7.481 6.905) 10.181 3.904 ( -0.000 -5.521 -11.801) 13.029 4.205 ( -0.000 -3.887 3.585) 5.288 4.270 ( -0.000 -3.934 -3.038) 4.970 4.380 ( -0.000 -5.387 14.706) 15.661 4.744 ( 0.000 0.636 -21.192) 21.202 5.174 ( -0.000 -5.331 13.588) 14.596 5.461 ( -0.000 -4.748 -15.658) 16.362 6.071 ( 0.000 4.301 11.827) 12.585 6.183 ( -0.000 -3.782 1.002) 3.912 6.824 ( -0.000 -1.400 5.048) 5.239 6.956 ( -0.000 -8.537 -7.517) 11.375 7.151 ( 0.000 2.066 9.575) 9.795 7.315 ( 0.000 2.161 -7.237) 7.553 9.618 ( -0.000 -5.719 1.551) 5.926 9.663 ( -0.000 -5.751 -3.061) 6.515 11.107 ( 0.000 3.106 15.413) 15.723 11.279 ( -0.000 -9.789 5.209) 11.088 12.458 ( -0.000 -8.641 23.831) 25.349 13.019 ( -0.000 -9.699 -30.040) 31.567 14.228 ( -0.000 -0.115 16.117) 16.118 14.575 ( -0.000 -2.633 22.141) 22.297 14.583 ( -0.000 -0.063 -20.284) 20.284 14.786 ( 0.000 4.816 -1.170) 4.956 15.026 ( -0.000 -6.767 12.588) 14.292 15.354 ( -0.000 -15.187 -19.362) 24.608 16.251 ( 0.000 2.286 9.157) 9.438 16.462 ( 0.000 2.060 -11.739) 11.919 17.263 ( -0.000 -5.737 9.178) 10.824 17.496 ( -0.000 -8.634 -13.937) 16.395 17.590 ( -0.000 -0.088 26.175) 26.175 18.088 ( -0.000 -0.078 -25.034) 25.034 18.930 ( -0.000 -2.950 11.681) 12.047 19.171 ( 0.000 0.895 -14.030) 14.058 20.016 ( 0.000 0.030 11.123) 11.123 20.203 ( 0.000 0.002 -8.125) 8.125 20.677 ( -0.000 -5.454 13.017) 14.114 20.886 ( -0.000 -5.994 -8.900) 10.731 22.258 ( 0.000 14.250 5.606) 15.313 22.434 ( 0.000 18.683 -13.701) 23.168 ======================= Grid point 392 (128/147) ======================= q-point: ( 0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( 12.791 -0.000 11.218) 17.014 2.890 ( 7.231 -0.000 7.324) 10.292 3.043 ( 6.189 -0.000 -6.836) 9.222 3.116 ( 10.553 -0.000 -14.591) 18.007 3.606 ( -4.773 0.000 4.098) 6.291 3.669 ( -4.176 0.000 -2.586) 4.912 4.010 ( 1.925 -0.000 10.471) 10.646 4.159 ( 1.846 -0.000 -3.972) 4.380 4.611 ( 3.956 -0.000 19.735) 20.128 5.009 ( 2.412 -0.000 -17.436) 17.602 5.036 ( 2.891 -0.000 -7.148) 7.711 5.054 ( 1.866 -0.000 -6.371) 6.638 5.206 ( 2.418 -0.000 19.091) 19.243 5.587 ( 2.684 -0.000 -20.205) 20.383 6.662 ( -2.231 0.000 13.308) 13.494 6.725 ( 5.992 -0.000 2.540) 6.508 6.737 ( 6.781 -0.000 1.675) 6.984 6.899 ( -3.362 0.000 -10.635) 11.153 7.314 ( 4.195 -0.000 8.825) 9.771 7.432 ( 4.678 -0.000 -4.214) 6.297 7.940 ( -6.004 0.000 -0.519) 6.026 7.985 ( -5.383 0.000 -5.315) 7.564 8.904 ( -0.734 0.000 8.738) 8.769 9.049 ( 2.677 -0.000 -6.185) 6.739 10.620 ( 12.603 -0.000 20.743) 24.272 10.875 ( 6.935 -0.000 -4.624) 8.335 12.046 ( -2.354 0.000 -3.824) 4.490 12.094 ( 11.942 -0.000 -9.936) 15.535 12.759 ( 10.751 -0.000 17.208) 20.291 13.082 ( 5.495 -0.000 -14.538) 15.542 14.050 ( -19.060 0.000 8.659) 20.934 14.189 ( -18.253 0.000 -2.642) 18.443 14.359 ( 1.570 -0.000 -0.673) 1.709 14.412 ( 5.429 -0.000 -8.589) 10.161 15.157 ( -5.898 0.000 14.693) 15.833 15.455 ( -3.435 0.000 -15.157) 15.541 16.057 ( -4.228 0.000 2.030) 4.690 16.081 ( -3.393 0.000 -0.333) 3.409 18.440 ( -1.001 0.000 4.077) 4.198 18.513 ( -2.420 0.000 -3.236) 4.041 19.072 ( -0.656 0.000 1.532) 1.667 19.117 ( 0.053 -0.000 -3.288) 3.288 22.309 ( 3.542 -0.000 4.657) 5.851 22.388 ( 3.558 -0.000 -3.400) 4.921 23.732 ( 9.813 -0.000 1.187) 9.884 23.762 ( 9.800 -0.000 -1.894) 9.982 24.053 ( 1.864 -0.000 1.214) 2.225 24.071 ( 0.789 -0.000 -0.646) 1.019 ======================= Grid point 393 (129/147) ======================= q-point: ( 0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 2.594 4.000 4.770) 6.744 2.990 ( 1.114 2.039 3.207) 3.960 3.144 ( 4.160 -1.303 0.191) 4.363 3.256 ( 3.903 0.539 -9.766) 10.531 3.516 ( -4.526 -0.709 4.398) 6.350 3.594 ( -3.538 -0.554 -3.879) 5.279 4.029 ( -1.107 -2.263 9.441) 9.771 4.174 ( -0.949 -1.206 -4.441) 4.699 4.661 ( 0.492 -2.658 17.987) 18.188 4.993 ( -2.447 6.442 -7.133) 9.918 5.039 ( -0.803 -0.467 -7.442) 7.500 5.081 ( -2.041 -4.978 -10.189) 11.523 5.237 ( -0.959 -4.640 16.338) 17.011 5.604 ( -1.239 -0.936 -20.092) 20.152 6.509 ( -7.104 13.874 9.049) 18.023 6.630 ( -6.435 19.699 -2.710) 20.900 6.812 ( -4.961 -11.530 5.226) 13.596 6.896 ( -5.362 -15.797 -4.260) 17.217 7.319 ( -3.454 0.241 9.347) 9.968 7.447 ( -2.864 1.255 -4.510) 5.488 7.838 ( -3.836 1.292 -1.598) 4.352 7.881 ( -5.140 -2.419 -6.158) 8.378 8.842 ( -5.901 -1.015 11.283) 12.774 9.037 ( -3.588 0.443 -8.916) 9.621 10.837 ( 7.524 0.115 15.615) 17.333 10.952 ( 0.317 0.489 1.927) 2.013 11.964 ( -3.135 -0.356 10.894) 11.341 12.334 ( 12.761 -0.343 -25.327) 28.362 13.016 ( 11.883 -4.131 9.455) 15.737 13.210 ( 5.331 -3.606 -10.323) 12.165 13.675 ( -14.713 0.941 11.687) 18.813 13.871 ( -12.231 3.286 -6.783) 14.367 14.481 ( 9.836 3.702 0.121) 10.510 14.548 ( 10.650 1.567 -6.903) 12.788 15.149 ( 3.531 -1.230 16.562) 16.979 15.468 ( 4.188 -0.538 -15.394) 15.963 16.084 ( 7.353 0.702 2.944) 7.952 16.126 ( 8.657 0.649 -1.374) 8.790 18.404 ( -3.407 -0.340 1.736) 3.839 18.431 ( -6.785 -0.351 -0.960) 6.861 19.019 ( -4.717 -0.367 3.187) 5.705 19.095 ( -2.163 -0.179 -4.664) 5.144 22.333 ( -0.661 1.147 4.935) 5.109 22.418 ( 0.079 1.655 -3.694) 4.049 23.781 ( -5.544 -0.755 1.075) 5.697 23.811 ( -5.889 -0.627 -2.101) 6.284 23.998 ( -6.854 -0.355 0.822) 6.912 24.004 ( -7.704 -0.450 0.202) 7.720 ======================= Grid point 394 (130/147) ======================= q-point: (-0.62 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( -5.680 5.418 1.556) 8.003 2.920 ( -3.290 5.007 0.772) 6.041 3.165 ( -2.229 3.042 2.847) 4.726 3.256 ( -1.936 4.634 -6.185) 7.967 3.461 ( -2.742 -4.376 4.616) 6.926 3.548 ( -2.883 -3.403 -4.338) 6.221 3.993 ( -5.291 -4.400 8.622) 11.032 4.133 ( -4.577 -1.678 -4.487) 6.626 4.674 ( -1.782 -3.666 16.589) 17.082 4.835 ( -8.543 6.846 4.560) 11.859 4.995 ( -4.844 -0.854 -7.339) 8.834 5.062 ( -2.940 -3.678 -15.694) 16.385 5.236 ( -4.057 -8.209 11.932) 15.040 5.553 ( -5.577 -2.731 -18.944) 19.936 6.195 ( -13.327 17.314 5.023) 22.419 6.277 ( -13.605 21.264 -3.349) 25.465 6.721 ( -13.684 -13.891 7.704) 20.965 6.839 ( -12.615 -15.096 -4.704) 20.227 7.193 ( -8.681 0.727 9.126) 12.616 7.311 ( -9.128 2.862 -3.464) 10.174 7.781 ( -1.904 -0.471 -0.614) 2.055 7.829 ( -3.491 -3.527 -5.296) 7.258 8.726 ( -6.135 -2.081 10.956) 12.728 8.932 ( -5.969 0.277 -10.382) 11.979 10.860 ( -2.783 3.310 9.745) 10.661 10.909 ( -3.317 0.175 3.670) 4.950 11.987 ( 4.337 -1.149 21.783) 22.241 12.536 ( 8.214 4.229 -31.795) 33.110 13.155 ( -0.173 -3.134 3.516) 4.713 13.282 ( -1.016 -2.927 -9.331) 9.832 13.638 ( 11.499 -2.081 11.553) 16.433 13.780 ( 6.840 0.678 -2.176) 7.210 14.671 ( 13.898 6.569 2.579) 15.587 14.816 ( 18.240 3.202 -11.886) 22.005 15.261 ( 6.603 -2.205 18.527) 19.791 15.595 ( 8.305 -0.556 -15.650) 17.726 16.310 ( 16.294 2.342 5.291) 17.291 16.385 ( 18.127 2.006 -2.566) 18.418 18.240 ( -14.705 -3.103 2.283) 15.201 18.288 ( -10.368 -2.330 -2.701) 10.964 18.912 ( -6.398 -0.950 6.880) 9.443 19.048 ( -2.716 -0.355 -7.081) 7.592 22.261 ( -5.592 2.739 5.805) 8.513 22.363 ( -4.020 3.474 -4.487) 6.954 23.527 ( -21.058 -0.894 0.578) 21.085 23.543 ( -21.339 -0.226 -1.030) 21.365 23.777 ( -16.816 -1.464 1.663) 16.961 23.806 ( -14.986 -2.556 -1.216) 15.251 ======================= Grid point 395 (131/147) ======================= q-point: (-0.54 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( -10.890 6.651 2.892) 13.085 2.767 ( -8.225 6.292 -3.001) 10.782 3.033 ( -6.515 7.922 3.771) 10.928 3.125 ( -5.897 8.516 -4.916) 11.466 3.459 ( -2.682 -6.556 3.684) 7.984 3.515 ( -4.590 -5.782 -2.129) 7.683 3.897 ( -8.367 -6.176 7.191) 12.644 4.028 ( -7.472 -2.441 -5.175) 9.411 4.573 ( -12.730 6.112 11.107) 17.966 4.632 ( -5.567 -1.119 14.997) 16.036 4.855 ( -10.502 -0.129 -9.494) 14.158 5.015 ( -3.242 1.413 -13.762) 14.209 5.199 ( -7.402 -10.093 7.516) 14.599 5.427 ( -10.486 -4.338 -13.808) 17.873 5.770 ( -17.229 16.188 1.089) 23.666 5.833 ( -15.661 18.641 -5.466) 24.953 6.525 ( -16.757 -14.364 8.475) 23.642 6.663 ( -16.078 -14.582 -5.968) 22.511 7.003 ( -9.864 0.960 7.832) 12.631 7.088 ( -10.844 2.970 -1.242) 11.312 7.735 ( -5.952 -2.671 0.421) 6.537 7.771 ( -4.422 -1.640 -2.874) 5.523 8.693 ( 1.768 -3.385 7.671) 8.569 8.857 ( -0.808 -0.857 -9.159) 9.234 10.758 ( -4.204 3.682 10.695) 12.067 10.847 ( -2.413 -0.559 1.707) 3.008 12.097 ( 6.044 0.715 19.736) 20.653 12.578 ( 3.307 10.728 -26.692) 28.956 13.205 ( 7.934 3.566 3.942) 9.550 13.343 ( 8.767 -0.166 -10.709) 13.841 13.976 ( 18.277 -4.416 7.578) 20.273 14.064 ( 18.466 -3.675 -1.315) 18.874 14.895 ( 13.714 6.293 7.572) 16.882 15.120 ( 13.485 2.693 -13.583) 19.329 15.484 ( 16.936 -0.828 15.940) 23.272 15.801 ( 13.760 1.256 -15.614) 20.850 16.618 ( 17.049 5.225 7.652) 19.404 16.730 ( 18.529 4.320 -3.939) 19.430 17.925 ( -22.306 -10.864 4.612) 25.236 18.032 ( -19.902 -8.844 -6.621) 22.763 18.802 ( -5.815 -0.704 11.022) 12.482 19.001 ( -2.484 -0.262 -9.613) 9.933 22.063 ( -12.978 4.457 7.865) 15.816 22.206 ( -9.653 4.682 -6.657) 12.626 23.015 ( -31.887 -0.518 1.245) 31.915 23.033 ( -31.560 -0.651 -0.552) 31.572 23.385 ( -24.969 -2.960 3.825) 25.433 23.468 ( -22.326 -5.131 -4.391) 23.325 ======================= Grid point 396 (132/147) ======================= q-point: (-0.46 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -15.184 7.688 5.099) 17.766 2.524 ( -11.682 6.512 -7.053) 15.120 2.816 ( -8.279 11.781 5.818) 15.530 2.930 ( -6.378 11.064 -5.338) 13.842 3.426 ( -5.457 -5.423 3.250) 8.352 3.454 ( -6.567 -6.795 -0.842) 9.488 3.776 ( -8.307 -4.858 7.526) 12.216 3.917 ( -6.672 -6.214 -6.516) 11.206 4.258 ( -15.200 5.645 13.122) 20.859 4.476 ( -10.791 1.804 8.255) 13.706 4.586 ( -14.497 6.443 -1.846) 15.972 4.901 ( -7.271 6.677 -14.548) 17.581 5.039 ( -14.784 -2.884 6.607) 16.448 5.191 ( -17.387 -0.168 -9.613) 19.868 5.349 ( -13.022 7.958 1.863) 15.375 5.515 ( -8.462 2.675 -12.259) 15.133 6.319 ( -14.766 -13.226 9.345) 21.915 6.472 ( -14.254 -13.473 -6.583) 20.689 6.816 ( -8.585 0.504 7.323) 11.295 6.896 ( -7.063 0.530 -0.728) 7.120 7.583 ( -10.144 -0.803 4.404) 11.088 7.674 ( -6.903 -0.712 -4.720) 8.393 8.851 ( 10.791 -4.965 3.498) 12.383 8.940 ( 7.956 -2.857 -5.751) 10.224 10.663 ( -3.277 1.326 16.161) 16.544 10.848 ( 1.731 -2.110 -1.773) 3.254 12.200 ( 7.015 4.970 11.469) 14.333 12.561 ( 5.199 14.076 -22.896) 27.376 13.436 ( 20.329 8.967 8.196) 23.682 13.620 ( 20.582 3.207 -10.825) 23.475 14.342 ( 16.581 -1.692 7.022) 18.086 14.455 ( 18.576 -1.427 -4.594) 19.189 15.094 ( 10.229 1.533 10.540) 14.767 15.302 ( 7.408 -1.049 -7.148) 10.348 15.869 ( 21.505 4.950 6.952) 23.137 16.082 ( 16.482 6.373 -12.254) 21.504 16.799 ( 3.114 3.689 8.317) 9.617 16.954 ( 5.771 4.443 -7.320) 10.326 17.667 ( -11.329 -19.663 3.861) 23.019 17.751 ( -15.101 -18.109 -5.056) 24.115 18.685 ( -7.361 -0.816 14.454) 16.241 18.950 ( -3.401 -0.443 -12.843) 13.293 21.669 ( -25.231 4.068 11.217) 27.910 21.881 ( -22.760 3.157 -10.460) 25.247 22.357 ( -36.320 0.589 1.946) 36.377 22.378 ( -35.767 -0.878 0.120) 35.778 22.925 ( -23.227 -3.612 7.196) 24.583 23.084 ( -20.298 -5.948 -8.632) 22.845 ======================= Grid point 397 (133/147) ======================= q-point: (-0.38 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -16.854 8.633 9.708) 21.280 2.253 ( -10.665 6.367 -12.720) 17.779 2.545 ( -9.617 14.804 10.866) 20.730 2.734 ( -4.654 12.950 -8.397) 16.120 3.350 ( -5.838 -1.794 2.177) 6.484 3.375 ( -5.017 -7.187 0.553) 8.782 3.651 ( -7.636 -1.091 11.691) 14.006 3.833 ( -10.388 -3.463 -1.101) 11.005 3.937 ( -9.877 6.973 5.962) 13.481 4.198 ( -16.238 -1.424 -12.130) 20.318 4.288 ( -8.369 9.465 16.803) 21.023 4.566 ( -16.751 12.359 -10.142) 23.156 4.737 ( -18.250 2.321 -1.031) 18.426 4.894 ( -9.502 -1.546 -11.550) 15.036 5.164 ( -7.993 -4.254 7.068) 11.487 5.406 ( -4.780 -3.968 -14.319) 15.609 6.169 ( -9.959 -10.946 10.149) 17.944 6.314 ( -10.665 -7.947 -4.036) 13.899 6.703 ( -4.222 -4.753 6.693) 9.231 6.808 ( -2.839 -1.492 -3.136) 4.486 7.394 ( -8.845 0.879 7.424) 11.581 7.533 ( -7.124 0.740 -6.649) 9.773 9.133 ( 12.956 -6.144 1.108) 14.382 9.175 ( 12.688 -4.488 -3.356) 13.870 10.645 ( 1.856 -3.106 25.355) 25.612 10.948 ( 6.548 -3.022 -3.701) 8.106 12.302 ( 8.890 8.301 2.666) 12.452 12.580 ( 7.086 11.980 -22.542) 26.493 13.796 ( 24.020 14.239 12.876) 30.749 14.039 ( 25.601 8.160 -11.235) 29.125 14.622 ( 13.011 1.915 6.997) 14.897 14.743 ( 11.334 2.399 -5.527) 12.835 15.232 ( -0.438 -3.928 10.574) 11.289 15.412 ( 1.167 -2.884 -4.817) 5.734 16.073 ( 1.034 1.633 8.373) 8.593 16.229 ( 1.626 3.295 -8.511) 9.270 16.818 ( 3.522 -6.612 2.583) 7.925 16.965 ( 2.592 -6.952 -12.138) 14.226 17.787 ( 6.765 -11.193 4.884) 13.960 17.848 ( 11.671 -9.782 -1.726) 15.326 18.536 ( -8.171 -4.095 17.035) 19.332 18.871 ( -5.501 -2.399 -17.391) 18.397 21.069 ( -33.264 1.516 13.877) 36.074 21.309 ( -32.846 0.294 -10.373) 34.447 21.618 ( -39.452 -0.548 4.165) 39.676 21.691 ( -37.196 -0.198 -3.125) 37.328 22.615 ( -10.890 -0.849 8.804) 14.029 22.817 ( -10.714 -2.595 -11.630) 16.024 ======================= Grid point 398 (134/147) ======================= q-point: (-0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -11.727 8.817 18.564) 23.662 2.056 ( -4.639 6.087 -19.815) 21.241 2.247 ( -8.758 15.884 18.682) 26.039 2.560 ( -2.756 14.996 -13.843) 20.594 3.239 ( -3.802 9.264 9.968) 14.129 3.372 ( -0.876 -1.032 0.259) 1.378 3.482 ( -4.429 6.000 11.955) 14.090 3.561 ( -10.445 5.686 9.227) 15.052 3.751 ( -12.515 -2.651 -8.382) 15.295 3.993 ( -5.273 3.367 -20.312) 21.254 4.157 ( -2.450 -2.037 7.492) 8.141 4.211 ( -9.687 5.109 -4.361) 11.788 4.431 ( -12.678 -2.501 9.790) 16.212 4.766 ( -5.324 -1.884 -20.158) 20.934 5.083 ( -4.286 -5.969 12.848) 14.801 5.369 ( -2.683 -5.345 -15.605) 16.712 6.098 ( -4.898 -8.324 9.450) 13.512 6.186 ( -5.945 -1.520 1.656) 6.356 6.717 ( -0.482 -9.367 2.786) 9.785 6.795 ( -0.474 -2.838 -3.931) 4.871 7.249 ( -4.905 1.930 9.052) 10.475 7.410 ( -4.364 1.910 -7.362) 8.769 9.394 ( 8.583 -6.311 1.250) 10.727 9.439 ( 9.357 -5.608 -3.503) 11.457 10.805 ( 8.981 -10.260 32.902) 35.616 11.113 ( 7.361 -1.727 1.776) 7.767 12.408 ( 8.601 9.998 -1.363) 13.259 12.692 ( 10.684 1.316 -26.806) 28.887 14.074 ( 15.393 13.759 16.792) 26.612 14.401 ( 17.467 8.807 -15.359) 24.871 14.810 ( 3.275 2.101 7.803) 8.719 14.871 ( 4.875 2.301 -0.125) 5.393 15.032 ( -16.526 -5.705 13.333) 21.988 15.326 ( -13.147 -4.244 -13.680) 19.442 16.123 ( 3.291 -8.280 8.807) 12.528 16.253 ( 2.640 -10.730 -5.237) 12.228 17.011 ( 10.277 -3.609 3.718) 11.510 17.193 ( 13.327 -3.144 -14.493) 19.939 17.821 ( -12.707 -1.772 16.676) 21.040 18.099 ( 5.504 0.029 -10.104) 11.506 18.638 ( 15.795 -5.500 9.280) 19.128 18.881 ( 8.869 -6.671 -15.611) 19.154 20.437 ( -31.145 0.475 13.770) 34.056 20.659 ( -34.439 2.051 -8.644) 35.567 20.943 ( -29.707 -2.095 5.345) 30.256 21.040 ( -25.205 -1.516 -3.463) 25.487 22.480 ( -3.489 2.950 8.204) 9.390 22.689 ( -3.513 2.494 -13.241) 13.924 ======================= Grid point 399 (135/147) ======================= q-point: (-0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 0.000 8.080 25.458) 26.709 1.976 ( 0.000 5.591 -24.370) 25.003 2.029 ( 0.000 17.133 23.765) 29.297 2.413 ( 0.000 17.164 -17.313) 24.379 3.015 ( 0.000 32.243 23.316) 39.790 3.349 ( 0.000 0.522 11.358) 11.370 3.394 ( 0.000 4.639 -4.058) 6.163 3.540 ( -0.000 -0.463 -8.563) 8.575 3.582 ( -0.000 -8.018 0.320) 8.024 3.886 ( 0.000 5.921 -25.786) 26.457 4.137 ( -0.000 -5.234 3.529) 6.312 4.202 ( -0.000 -5.260 -3.048) 6.079 4.312 ( -0.000 -3.635 20.178) 20.503 4.730 ( -0.000 -2.142 -22.637) 22.738 5.087 ( -0.000 -6.199 14.206) 15.500 5.383 ( -0.000 -5.538 -15.976) 16.909 6.104 ( -0.000 -6.019 7.469) 9.593 6.124 ( 0.000 1.468 6.299) 6.468 6.783 ( -0.000 -6.726 -0.081) 6.727 6.824 ( -0.000 -6.513 -3.460) 7.375 7.185 ( 0.000 2.337 9.565) 9.847 7.350 ( 0.000 2.417 -7.355) 7.742 9.527 ( -0.000 -6.405 1.478) 6.574 9.575 ( -0.000 -5.888 -3.574) 6.888 11.019 ( -0.000 -13.850 29.175) 32.296 11.199 ( -0.000 -0.273 8.773) 8.777 12.453 ( 0.000 5.786 6.016) 8.347 12.876 ( -0.000 -8.474 -31.519) 32.638 14.226 ( -0.000 -0.139 16.161) 16.161 14.582 ( -0.000 -0.076 -20.330) 20.330 14.597 ( 0.000 5.135 25.014) 25.535 14.867 ( 0.000 5.603 1.752) 5.871 14.993 ( 0.000 0.841 4.078) 4.164 15.180 ( -0.000 -7.675 -19.092) 20.577 16.224 ( -0.000 -5.682 10.293) 11.757 16.396 ( -0.000 -9.920 -6.598) 11.913 17.189 ( -0.000 -4.275 5.611) 7.053 17.397 ( -0.000 -4.237 -15.491) 16.060 17.588 ( -0.000 -0.106 26.192) 26.192 18.087 ( -0.000 -0.094 -25.034) 25.034 18.896 ( -0.000 -1.666 12.588) 12.697 19.165 ( -0.000 -1.440 -15.395) 15.462 20.017 ( 0.000 0.036 11.094) 11.094 20.203 ( 0.000 0.002 -8.105) 8.105 20.640 ( -0.000 -0.523 12.512) 12.522 20.825 ( -0.000 -2.501 -6.584) 7.043 22.413 ( 0.000 6.721 7.609) 10.152 22.621 ( 0.000 7.430 -14.072) 15.913 ======================= Grid point 406 (136/147) ======================= q-point: (-0.69 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( -5.890 0.000 0.610) 5.921 2.959 ( -3.655 0.000 0.266) 3.665 3.192 ( 0.716 -0.000 4.491) 4.548 3.297 ( 0.225 -0.000 -6.260) 6.264 3.421 ( -4.962 0.000 4.994) 7.040 3.518 ( -4.260 0.000 -5.483) 6.944 3.958 ( -5.511 0.000 9.807) 11.249 4.119 ( -4.563 0.000 -5.450) 7.108 4.646 ( -0.774 0.000 18.839) 18.854 4.912 ( -9.677 0.000 0.452) 9.687 4.969 ( -6.373 0.000 -6.782) 9.306 5.024 ( -0.281 0.000 -18.348) 18.350 5.176 ( -3.530 0.000 16.331) 16.709 5.534 ( -5.698 0.000 -19.402) 20.222 6.391 ( -11.307 0.000 9.201) 14.578 6.518 ( -15.782 0.000 0.025) 15.782 6.597 ( -13.910 0.000 0.398) 13.915 6.599 ( -13.433 0.000 -3.274) 13.827 7.198 ( -8.661 0.000 9.322) 12.724 7.333 ( -9.165 0.000 -5.147) 10.511 7.782 ( -3.770 0.000 -2.673) 4.621 7.797 ( -1.863 0.000 -3.706) 4.148 8.710 ( -6.203 0.000 12.190) 13.678 8.934 ( -6.214 0.000 -11.086) 12.709 10.888 ( -1.646 0.000 8.603) 8.759 10.907 ( -4.374 0.000 4.190) 6.057 11.979 ( 4.578 -0.000 23.776) 24.213 12.569 ( 10.282 -0.000 -34.449) 35.951 13.124 ( 1.294 -0.000 4.399) 4.586 13.254 ( 1.476 -0.000 -9.227) 9.344 13.626 ( 9.921 -0.000 13.096) 16.429 13.791 ( 4.419 -0.000 -2.962) 5.319 14.725 ( 13.764 -0.000 0.614) 13.778 14.841 ( 18.513 -0.000 -10.832) 21.449 15.242 ( 6.365 -0.000 19.641) 20.647 15.589 ( 8.504 -0.000 -16.122) 18.227 16.329 ( 16.924 -0.000 5.039) 17.658 16.401 ( 18.524 -0.000 -2.459) 18.687 18.216 ( -16.093 0.000 2.497) 16.286 18.270 ( -11.496 0.000 -3.090) 11.904 18.905 ( -6.306 0.000 7.210) 9.579 19.045 ( -2.663 0.000 -7.237) 7.711 22.283 ( -5.248 0.000 6.117) 8.060 22.390 ( -3.817 0.000 -4.770) 6.109 23.519 ( -20.997 0.000 0.888) 21.016 23.541 ( -21.272 0.000 -1.317) 21.313 23.766 ( -17.121 0.000 1.242) 17.166 23.786 ( -15.584 0.000 -0.762) 15.602 ======================= Grid point 408 (137/147) ======================= q-point: (-0.62 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -11.187 2.692 1.653) 11.625 2.830 ( -8.775 2.152 -3.729) 9.775 3.138 ( -4.479 5.351 5.820) 9.087 3.244 ( -3.503 7.273 -3.598) 8.838 3.358 ( -3.529 -6.662 3.494) 8.309 3.436 ( -5.840 -4.201 -4.275) 8.369 3.825 ( -8.880 -2.844 9.362) 13.213 4.000 ( -7.962 -1.142 -7.080) 10.716 4.623 ( -2.325 0.084 18.719) 18.863 4.660 ( -14.148 4.284 6.200) 16.030 4.820 ( -10.780 -3.288 -8.473) 14.100 5.019 ( -1.108 -0.342 -17.340) 17.378 5.100 ( -5.588 -3.227 11.457) 13.149 5.386 ( -10.014 -1.168 -16.181) 19.065 6.027 ( -17.502 18.078 5.240) 25.702 6.124 ( -17.614 19.281 -4.781) 26.549 6.294 ( -17.813 -16.428 7.464) 25.355 6.421 ( -17.141 -17.850 -5.540) 25.360 7.012 ( -9.897 0.337 8.100) 12.793 7.120 ( -11.834 1.169 -3.454) 12.383 7.705 ( -5.511 -1.160 0.940) 5.710 7.755 ( -3.343 -0.550 -3.799) 5.091 8.658 ( 1.398 -1.263 9.363) 9.550 8.848 ( -1.605 -0.278 -10.291) 10.419 10.800 ( -5.410 1.862 6.502) 8.661 10.837 ( -2.894 -0.703 3.997) 4.985 12.102 ( 7.502 0.120 25.167) 26.261 12.693 ( 4.672 4.339 -32.978) 33.589 13.211 ( 9.703 -1.099 3.909) 10.518 13.343 ( 10.037 0.115 -10.117) 14.252 13.931 ( 18.581 -1.588 9.877) 21.103 14.033 ( 18.569 -0.793 -0.505) 18.593 14.979 ( 13.148 3.753 4.405) 14.365 15.150 ( 10.968 1.053 -9.762) 14.721 15.471 ( 19.923 -0.646 15.741) 25.399 15.810 ( 15.087 0.105 -16.828) 22.602 16.684 ( 19.784 2.828 6.719) 21.084 16.778 ( 20.112 1.913 -3.143) 20.446 17.805 ( -27.921 -4.548 5.614) 28.840 17.937 ( -24.400 -3.575 -8.050) 25.942 18.795 ( -5.455 -0.239 11.426) 12.663 18.998 ( -2.455 -0.126 -9.657) 9.965 22.114 ( -12.487 2.011 8.055) 14.995 22.259 ( -9.729 2.105 -6.729) 12.015 23.003 ( -32.075 -0.659 1.880) 32.137 23.028 ( -31.493 -0.147 -0.765) 31.502 23.354 ( -25.529 -1.168 2.415) 25.670 23.411 ( -23.167 -2.123 -3.327) 23.501 ======================= Grid point 409 (138/147) ======================= q-point: (-0.54 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( -15.244 4.660 3.602) 16.342 2.602 ( -12.195 3.820 -7.433) 14.783 2.963 ( -8.104 7.925 7.738) 13.725 3.085 ( -5.823 9.949 -3.271) 11.983 3.347 ( -5.249 -7.660 -0.208) 9.288 3.353 ( -4.682 -4.314 1.693) 6.588 3.691 ( -7.511 -5.466 6.541) 11.361 3.850 ( -8.580 -2.972 -8.488) 12.430 4.329 ( -16.448 4.032 10.017) 19.676 4.500 ( -11.479 2.488 1.748) 11.875 4.622 ( -10.421 -2.184 7.289) 12.903 4.963 ( -4.197 1.495 -12.001) 12.801 4.998 ( -8.662 -2.169 3.800) 9.704 5.173 ( -13.179 -0.054 -9.520) 16.258 5.545 ( -18.247 15.757 2.412) 24.230 5.654 ( -15.633 15.011 -8.070) 23.126 6.105 ( -14.073 -15.404 7.088) 22.036 6.235 ( -15.107 -17.764 -6.133) 24.112 6.831 ( -8.528 1.150 6.240) 10.629 6.899 ( -9.545 -0.050 -0.956) 9.593 7.572 ( -8.753 -0.620 4.823) 10.013 7.668 ( -5.924 -0.205 -4.887) 7.682 8.792 ( 10.323 -2.902 4.762) 11.733 8.907 ( 7.058 -1.591 -7.164) 10.182 10.682 ( -5.209 1.078 12.018) 13.142 10.824 ( 1.245 -1.111 -0.632) 1.784 12.246 ( 7.989 1.745 18.259) 20.006 12.723 ( 3.788 7.658 -27.962) 29.238 13.521 ( 22.416 2.543 5.616) 23.249 13.662 ( 23.514 2.535 -9.532) 25.499 14.303 ( 17.497 -2.788 9.330) 20.024 14.431 ( 20.055 -1.456 -3.999) 20.502 15.155 ( 9.058 5.386 7.776) 13.097 15.297 ( 6.535 -0.296 -2.654) 7.060 15.934 ( 25.532 3.488 5.893) 26.434 16.154 ( 20.214 3.219 -13.601) 24.575 16.893 ( -4.924 9.038 7.592) 12.790 17.030 ( 0.246 5.363 -6.067) 8.101 17.395 ( -8.171 -16.460 4.857) 19.007 17.505 ( -17.080 -14.588 -7.149) 23.572 18.676 ( -7.988 -0.456 14.795) 16.820 18.942 ( -4.005 -0.472 -12.739) 13.362 21.728 ( -26.450 3.370 10.718) 28.737 21.924 ( -25.440 2.349 -9.358) 27.209 22.363 ( -35.248 0.182 1.527) 35.281 22.368 ( -35.272 -0.416 1.119) 35.292 22.875 ( -23.072 -2.859 5.490) 23.888 23.007 ( -19.140 -4.019 -7.629) 20.993 ======================= Grid point 410 (139/147) ======================= q-point: (-0.46 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -16.936 6.341 7.949) 19.754 2.339 ( -10.952 4.936 -12.245) 17.154 2.722 ( -10.351 9.163 12.371) 18.551 2.898 ( -5.525 9.586 -5.682) 12.437 3.271 ( -5.306 -6.778 2.693) 9.019 3.327 ( -1.983 -0.929 -0.931) 2.379 3.616 ( -4.939 -3.030 5.271) 7.834 3.739 ( -6.326 -6.608 -7.345) 11.732 4.010 ( -12.700 2.355 8.167) 15.282 4.185 ( -17.782 -0.144 -8.760) 19.823 4.444 ( -7.725 5.205 19.795) 21.878 4.711 ( -16.929 10.713 -1.300) 20.076 4.852 ( -17.898 4.803 -7.111) 19.849 4.868 ( -4.800 3.707 -7.787) 9.870 5.164 ( -11.534 5.640 4.274) 13.532 5.382 ( -7.085 1.320 -13.764) 15.537 5.991 ( -8.606 -12.877 7.072) 17.026 6.122 ( -9.966 -16.959 -6.305) 20.657 6.675 ( -6.192 0.489 8.153) 10.250 6.779 ( -4.349 -2.407 -2.513) 5.570 7.405 ( -7.958 0.632 7.624) 11.038 7.545 ( -6.242 0.687 -6.505) 9.041 9.054 ( 12.962 -4.402 1.968) 13.830 9.118 ( 12.049 -3.151 -4.801) 13.348 10.616 ( -0.690 -1.046 21.871) 21.907 10.910 ( 6.435 -2.058 -5.135) 8.486 12.380 ( 7.975 3.090 8.087) 11.771 12.734 ( 3.695 8.457 -24.654) 26.325 13.976 ( 27.207 9.483 8.788) 30.123 14.141 ( 27.252 5.884 -8.116) 29.037 14.612 ( 12.322 -2.591 8.155) 15.001 14.752 ( 10.822 -1.291 -6.150) 12.514 15.244 ( 1.922 5.318 10.528) 11.951 15.408 ( 4.398 1.656 -3.193) 5.681 16.072 ( -16.507 -1.870 11.932) 20.454 16.281 ( -12.451 3.611 -10.666) 16.788 16.734 ( 6.751 -4.460 -0.188) 8.093 16.845 ( 4.340 -8.706 -12.434) 15.788 17.667 ( 17.712 -5.352 5.443) 19.287 17.738 ( 22.369 -5.236 -2.503) 23.109 18.484 ( -11.800 -2.886 18.055) 21.761 18.835 ( -8.238 -2.244 -18.078) 19.993 21.101 ( -34.008 2.413 13.258) 36.580 21.315 ( -32.965 0.480 -8.443) 34.033 21.614 ( -40.470 -0.151 4.675) 40.740 21.691 ( -37.767 0.155 -3.275) 37.909 22.587 ( -9.531 -2.422 7.950) 12.646 22.775 ( -8.083 -2.691 -10.923) 13.853 ======================= Grid point 411 (140/147) ======================= q-point: (-0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -12.324 7.290 16.584) 21.910 2.143 ( -5.020 5.439 -18.799) 20.203 2.449 ( -9.187 11.523 19.132) 24.150 2.742 ( -3.417 9.680 -11.047) 15.080 3.268 ( -0.031 -4.158 1.095) 4.300 3.308 ( 0.812 -1.298 -1.390) 2.068 3.487 ( -9.131 -1.026 9.262) 13.047 3.671 ( -7.366 -1.927 -8.737) 11.589 3.833 ( -2.829 9.071 6.561) 11.547 3.968 ( -2.546 -4.249 -4.869) 6.946 4.234 ( -8.066 13.414 12.500) 20.031 4.303 ( -16.453 2.807 -0.138) 16.691 4.475 ( -12.049 10.630 -1.578) 16.145 4.754 ( -4.543 2.022 -18.249) 18.915 5.009 ( -5.032 -3.696 12.714) 14.164 5.301 ( -3.186 -3.734 -15.864) 16.606 5.959 ( -3.911 -10.353 7.801) 13.540 6.090 ( -4.958 -12.064 -5.275) 14.069 6.609 ( -2.013 -4.149 9.428) 10.495 6.750 ( -1.304 -3.474 -4.868) 6.121 7.275 ( -4.475 1.567 9.092) 10.254 7.436 ( -3.860 1.572 -7.329) 8.431 9.307 ( 8.780 -5.175 1.518) 10.304 9.364 ( 9.232 -4.440 -4.483) 11.182 10.690 ( 5.524 -5.456 32.187) 33.110 11.079 ( 8.093 -2.542 -3.827) 9.307 12.508 ( 7.382 3.505 -2.727) 8.615 12.749 ( 3.927 5.844 -23.108) 24.157 14.271 ( 7.779 12.286 11.911) 18.797 14.508 ( 12.564 5.589 -10.528) 17.318 14.785 ( -2.307 -3.773 7.799) 8.965 14.863 ( 5.081 -4.309 0.734) 6.702 15.063 ( -7.533 9.528 11.445) 16.689 15.339 ( -9.428 5.553 -12.767) 16.814 15.951 ( 0.480 -14.258 8.015) 16.363 16.075 ( -1.953 -13.009 -4.520) 13.909 16.974 ( 11.678 -1.603 4.000) 12.448 17.160 ( 16.550 -1.301 -15.990) 23.049 17.822 ( -12.174 1.593 19.207) 22.796 18.107 ( 9.354 0.693 -7.229) 11.842 18.572 ( 20.509 -3.313 4.149) 21.185 18.777 ( 9.008 -7.191 -15.891) 19.631 20.455 ( -31.835 1.704 14.528) 35.035 20.687 ( -34.175 1.668 -9.426) 35.491 20.917 ( -28.808 -1.514 7.625) 29.838 21.026 ( -25.319 -0.629 -2.766) 25.478 22.491 ( -2.898 -0.899 8.347) 8.881 22.700 ( -1.925 -0.434 -12.803) 12.954 ======================= Grid point 412 (141/147) ======================= q-point: (-0.31 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 0.000 7.684 23.160) 24.402 2.060 ( 0.000 5.570 -22.989) 23.654 2.255 ( 0.000 13.721 23.358) 27.090 2.628 ( 0.000 11.842 -15.407) 19.432 3.283 ( 0.000 3.050 5.481) 6.273 3.359 ( 0.000 0.920 10.427) 10.468 3.417 ( -0.000 -9.247 -7.196) 11.717 3.534 ( -0.000 -0.248 -7.870) 7.874 3.675 ( 0.000 29.675 15.165) 33.326 4.036 ( 0.000 9.715 -16.709) 19.327 4.055 ( -0.000 -5.677 3.506) 6.673 4.120 ( -0.000 -5.684 -3.079) 6.464 4.303 ( 0.000 4.711 14.349) 15.102 4.699 ( -0.000 -0.826 -21.604) 21.620 4.999 ( -0.000 -5.611 14.825) 15.852 5.304 ( -0.000 -5.033 -16.291) 17.051 5.991 ( -0.000 -8.794 8.840) 12.469 6.106 ( -0.000 -5.575 -1.909) 5.893 6.644 ( -0.000 -8.653 6.582) 10.872 6.767 ( -0.000 -3.594 -5.209) 6.329 7.218 ( 0.000 2.067 9.542) 9.763 7.384 ( 0.000 2.119 -7.454) 7.749 9.436 ( -0.000 -5.744 1.629) 5.971 9.493 ( -0.000 -5.136 -4.432) 6.784 10.831 ( -0.000 -10.442 35.997) 37.481 11.186 ( -0.000 -1.788 1.581) 2.387 12.556 ( 0.000 6.083 -4.854) 7.782 12.796 ( -0.000 -1.822 -25.755) 25.819 14.224 ( -0.000 -0.132 16.207) 16.207 14.581 ( -0.000 -0.072 -20.379) 20.379 14.697 ( 0.000 7.165 19.428) 20.707 14.952 ( 0.000 6.938 6.108) 9.243 14.978 ( -0.000 -3.886 -0.416) 3.909 15.178 ( 0.000 7.103 -15.501) 17.051 16.092 ( -0.000 -11.943 9.199) 15.075 16.211 ( -0.000 -13.727 -2.552) 13.962 17.139 ( -0.000 -2.379 5.951) 6.409 17.368 ( -0.000 -0.308 -17.717) 17.720 17.587 ( -0.000 -0.100 26.210) 26.210 18.086 ( -0.000 -0.088 -25.033) 25.034 18.879 ( -0.000 -0.752 11.686) 11.710 19.137 ( -0.000 -2.163 -14.654) 14.813 20.017 ( 0.000 0.033 11.063) 11.063 20.203 ( 0.000 0.002 -8.083) 8.083 20.639 ( -0.000 -0.065 12.722) 12.722 20.805 ( -0.000 -0.502 -4.304) 4.334 22.465 ( 0.000 0.948 8.327) 8.381 22.681 ( 0.000 1.545 -13.593) 13.681 ======================= Grid point 421 (142/147) ======================= q-point: (-0.62 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -15.334 0.000 3.044) 15.633 2.631 ( -12.290 0.000 -7.417) 14.355 3.029 ( -9.334 0.000 8.992) 12.961 3.216 ( -7.079 0.000 -11.124) 13.186 3.231 ( -4.254 0.000 8.617) 9.610 3.317 ( -2.188 0.000 0.013) 2.188 3.646 ( -7.495 0.000 7.251) 10.428 3.828 ( -9.107 0.000 -9.695) 13.302 4.363 ( -17.540 0.000 8.517) 19.498 4.544 ( -16.508 0.000 -10.160) 19.384 4.572 ( -4.274 0.000 20.612) 21.051 4.971 ( -5.297 0.000 -19.370) 20.081 4.977 ( -5.848 0.000 10.044) 11.622 5.179 ( -10.069 0.000 -9.832) 14.073 5.731 ( -22.456 0.000 5.725) 23.175 5.850 ( -20.319 0.000 -6.194) 21.242 5.927 ( -10.404 0.000 3.327) 10.923 6.021 ( -13.744 0.000 -5.024) 14.633 6.841 ( -7.761 0.000 5.360) 9.432 6.898 ( -11.102 0.000 -0.959) 11.143 7.567 ( -8.162 0.000 5.088) 9.618 7.667 ( -5.609 0.000 -5.036) 7.538 8.770 ( 10.174 -0.000 5.267) 11.456 8.895 ( 6.715 -0.000 -7.689) 10.208 10.690 ( -5.912 0.000 10.369) 11.936 10.816 ( 1.152 -0.000 -0.064) 1.154 12.258 ( 8.252 -0.000 20.766) 22.345 12.780 ( 3.039 -0.000 -30.308) 30.460 13.534 ( 23.825 -0.000 5.895) 24.543 13.683 ( 24.603 -0.000 -10.086) 26.590 14.280 ( 17.517 -0.000 10.619) 20.484 14.420 ( 20.139 -0.000 -3.926) 20.518 15.207 ( 9.226 -0.000 4.581) 10.301 15.289 ( 6.087 -0.000 1.375) 6.240 15.961 ( 27.437 -0.000 5.160) 27.919 16.177 ( 21.922 -0.000 -13.624) 25.810 17.032 ( -23.060 0.000 2.522) 23.197 17.044 ( 5.545 -0.000 2.351) 6.023 17.251 ( 2.900 -0.000 3.573) 4.602 17.372 ( -20.560 0.000 -9.743) 22.752 18.673 ( -8.215 0.000 14.862) 16.982 18.938 ( -4.252 0.000 -12.642) 13.338 21.755 ( -27.001 0.000 10.440) 28.949 21.942 ( -26.723 0.000 -8.735) 28.114 22.363 ( -32.579 0.000 1.713) 32.624 22.366 ( -36.978 0.000 1.039) 36.993 22.852 ( -23.171 0.000 4.916) 23.687 22.976 ( -18.591 0.000 -7.358) 19.994 ======================= Grid point 423 (143/147) ======================= q-point: (-0.54 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -17.099 2.337 7.088) 18.657 2.390 ( -11.141 1.878 -11.947) 16.443 2.813 ( -11.129 3.057 12.890) 17.302 3.019 ( -7.931 6.227 -7.878) 12.796 3.179 ( -4.439 -5.215 8.374) 10.818 3.324 ( 1.505 0.247 -1.650) 2.246 3.575 ( -0.962 -1.929 1.572) 2.668 3.666 ( -8.279 -2.767 -8.822) 12.411 4.032 ( -14.909 0.787 7.905) 16.894 4.189 ( -19.035 0.394 -8.164) 20.716 4.452 ( -8.986 -1.097 17.868) 20.030 4.778 ( -14.769 -0.659 -14.229) 20.519 4.873 ( -4.759 1.501 7.948) 9.384 5.010 ( -6.170 7.757 -5.263) 11.223 5.296 ( -17.170 8.442 5.038) 19.785 5.464 ( -13.294 8.732 -11.235) 19.473 5.814 ( -6.103 -9.134 0.775) 11.013 5.863 ( -9.943 -15.260 -3.662) 18.578 6.699 ( -6.691 2.354 4.434) 8.365 6.740 ( -5.443 -2.792 0.304) 6.125 7.411 ( -7.435 0.220 7.807) 10.783 7.552 ( -5.833 0.257 -6.472) 8.716 9.009 ( 12.987 -1.598 2.477) 13.317 9.086 ( 11.721 -1.140 -5.642) 13.058 10.609 ( -1.865 -0.184 19.720) 19.809 10.889 ( 6.232 -0.716 -5.520) 8.356 12.407 ( 7.477 0.775 11.954) 14.122 12.819 ( 2.325 2.923 -26.850) 27.108 14.066 ( 30.262 2.848 7.443) 31.294 14.208 ( 27.899 2.647 -7.993) 29.142 14.574 ( 11.900 -1.827 10.055) 15.686 14.727 ( 9.189 -1.246 -5.860) 10.970 15.338 ( 6.103 5.226 6.654) 10.433 15.431 ( 8.677 0.576 0.466) 8.708 16.035 ( -32.721 -2.048 15.099) 36.094 16.327 ( -30.385 2.022 -14.847) 33.878 16.691 ( 9.796 -1.388 -2.259) 10.149 16.738 ( 16.062 -4.513 -9.275) 19.089 17.620 ( 23.783 -1.390 4.669) 24.277 17.689 ( 28.494 -1.577 -2.893) 28.684 18.454 ( -14.060 -1.071 18.540) 23.293 18.811 ( -9.815 -0.909 -18.186) 20.685 21.129 ( -34.647 1.111 12.538) 36.863 21.320 ( -33.143 0.172 -6.816) 33.837 21.613 ( -41.015 -0.016 4.830) 41.298 21.694 ( -38.282 0.115 -3.515) 38.443 22.557 ( -8.785 -1.235 7.870) 11.860 22.746 ( -6.596 -1.066 -11.045) 12.909 ======================= Grid point 424 (144/147) ======================= q-point: (-0.46 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -12.747 4.159 15.456) 20.462 2.208 ( -5.403 3.240 -18.118) 19.183 2.582 ( -8.613 6.267 18.253) 21.134 2.852 ( -4.603 5.528 -9.769) 12.132 3.176 ( 0.514 -5.908 5.177) 7.872 3.335 ( 0.567 2.857 -7.093) 7.667 3.481 ( -8.327 0.161 6.090) 10.318 3.629 ( -3.595 -3.087 -7.442) 8.822 3.871 ( -0.612 -0.654 3.229) 3.351 3.912 ( -5.065 -2.683 -1.596) 5.950 4.253 ( -12.812 -2.570 11.557) 17.445 4.449 ( -17.176 3.673 -8.428) 19.482 4.700 ( -5.820 19.613 5.921) 21.298 4.853 ( -1.874 8.663 -4.278) 9.842 4.998 ( -8.763 3.280 7.293) 11.864 5.266 ( -4.927 -0.587 -15.696) 16.461 5.805 ( -2.578 -9.793 0.773) 10.156 5.851 ( -4.571 -18.378 -3.666) 19.289 6.590 ( -3.134 0.789 8.193) 8.807 6.696 ( -1.935 -3.586 -2.807) 4.948 7.293 ( -4.221 0.863 9.131) 10.096 7.454 ( -3.589 0.864 -7.314) 8.193 9.247 ( 9.022 -2.905 1.730) 9.635 9.312 ( 9.108 -2.491 -5.240) 10.799 10.636 ( 3.524 -2.124 30.220) 30.498 11.047 ( 8.122 -1.623 -6.826) 10.732 12.534 ( 6.216 0.699 1.162) 6.362 12.830 ( 1.645 4.250 -24.219) 24.644 14.422 ( -2.821 7.816 7.465) 11.170 14.562 ( 8.924 1.565 -4.819) 10.262 14.739 ( 2.928 -1.618 6.370) 7.195 14.793 ( 6.439 -4.276 1.729) 7.921 15.243 ( -6.178 13.657 8.509) 17.237 15.460 ( -8.269 9.484 -10.884) 16.637 15.732 ( 0.332 -14.201 7.898) 16.253 15.877 ( -2.918 -13.635 -5.366) 14.941 16.959 ( 12.127 -0.533 4.921) 13.098 17.149 ( 18.735 -0.374 -15.996) 24.638 17.855 ( -15.631 2.347 20.205) 25.653 18.113 ( 13.785 0.009 -2.470) 14.004 18.547 ( 25.381 0.063 -2.701) 25.525 18.676 ( 7.898 -6.209 -15.334) 18.332 20.479 ( -32.986 1.327 14.454) 36.038 20.706 ( -34.299 0.919 -9.397) 35.574 20.899 ( -28.629 -0.888 9.254) 30.100 21.019 ( -24.993 -0.345 -2.570) 25.127 22.470 ( -2.563 -1.498 8.829) 9.315 22.689 ( -1.147 -0.758 -13.233) 13.304 ======================= Grid point 425 (145/147) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.000 5.553 21.494) 22.199 2.133 ( 0.000 4.164 -21.902) 22.295 2.430 ( 0.000 9.766 21.340) 23.469 2.763 ( 0.000 6.727 -12.643) 14.321 3.257 ( -0.000 -7.244 0.866) 7.296 3.328 ( 0.000 0.674 -5.752) 5.792 3.375 ( 0.000 1.145 9.462) 9.531 3.533 ( -0.000 -0.004 -7.086) 7.086 3.977 ( -0.000 -4.632 3.483) 5.795 3.986 ( 0.000 4.854 10.619) 11.676 4.041 ( -0.000 -4.698 -3.111) 5.634 4.169 ( 0.000 11.054 -6.493) 12.820 4.482 ( 0.000 19.420 8.056) 21.025 4.759 ( 0.000 9.880 -16.029) 18.829 4.928 ( -0.000 -3.841 15.301) 15.776 5.240 ( -0.000 -3.462 -16.534) 16.892 5.852 ( -0.000 -9.778 3.774) 10.481 5.939 ( -0.000 -16.397 -4.898) 17.113 6.566 ( -0.000 -1.886 10.129) 10.303 6.708 ( -0.000 -4.153 -4.677) 6.255 7.244 ( 0.000 1.396 9.516) 9.618 7.410 ( 0.000 1.423 -7.520) 7.654 9.363 ( -0.000 -3.960 1.728) 4.320 9.428 ( -0.000 -3.599 -5.198) 6.322 10.718 ( -0.000 -5.195 35.644) 36.021 11.154 ( -0.000 -2.168 -3.974) 4.527 12.602 ( 0.000 0.729 -5.857) 5.902 12.820 ( 0.000 3.774 -22.942) 23.250 14.222 ( -0.000 -0.094 16.246) 16.246 14.580 ( -0.000 -0.051 -20.419) 20.419 14.783 ( 0.000 4.361 10.236) 11.126 14.917 ( -0.000 -3.735 -0.723) 3.805 15.088 ( 0.000 11.043 10.610) 15.314 15.314 ( 0.000 9.666 -11.993) 15.404 15.893 ( -0.000 -13.882 9.255) 16.685 16.021 ( -0.000 -11.697 -1.887) 11.848 17.116 ( -0.000 -0.916 7.667) 7.722 17.372 ( 0.000 0.629 -19.191) 19.201 17.586 ( -0.000 -0.071 26.224) 26.224 18.085 ( -0.000 -0.063 -25.033) 25.033 18.872 ( -0.000 -0.255 10.072) 10.075 19.107 ( -0.000 -1.822 -13.426) 13.549 20.018 ( 0.000 0.023 11.038) 11.038 20.203 ( 0.000 0.001 -8.066) 8.066 20.635 ( -0.000 -0.380 14.053) 14.058 20.804 ( 0.000 0.116 -3.354) 3.356 22.458 ( -0.000 -1.373 9.017) 9.121 22.686 ( -0.000 -0.378 -13.931) 13.936 ======================= Grid point 436 (146/147) ======================= q-point: (-0.54 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -12.900 0.000 15.098) 19.859 2.233 ( -5.564 0.000 -17.871) 18.717 2.628 ( -8.193 0.000 17.557) 19.375 2.898 ( -5.646 0.000 -11.491) 12.803 3.125 ( 0.650 -0.000 9.687) 9.709 3.362 ( 0.830 -0.000 -8.479) 8.519 3.485 ( -8.417 0.000 2.099) 8.675 3.600 ( -0.402 0.000 -5.409) 5.424 3.862 ( -0.821 0.000 2.947) 3.059 3.893 ( -7.137 0.000 -1.147) 7.229 4.231 ( -13.021 0.000 11.872) 17.621 4.459 ( -16.927 0.000 -10.278) 19.803 4.833 ( -0.349 0.000 9.701) 9.707 4.980 ( -1.740 0.000 -5.887) 6.139 5.037 ( -11.858 0.000 9.245) 15.036 5.281 ( -8.156 0.000 -14.819) 16.915 5.666 ( -4.318 0.000 0.139) 4.320 5.718 ( -1.524 0.000 -5.309) 5.523 6.606 ( -3.667 0.000 5.311) 6.453 6.661 ( -1.939 0.000 -0.318) 1.965 7.300 ( -4.136 0.000 9.142) 10.034 7.461 ( -3.500 0.000 -7.310) 8.105 9.225 ( 9.127 -0.000 1.802) 9.303 9.293 ( 9.055 -0.000 -5.514) 10.602 10.622 ( 2.898 -0.000 29.349) 29.492 11.034 ( 8.062 -0.000 -7.683) 11.137 12.538 ( 5.737 -0.000 3.092) 6.517 12.862 ( 1.179 -0.000 -25.110) 25.138 14.486 ( -14.043 0.000 5.381) 15.038 14.565 ( 12.732 -0.000 -1.249) 12.793 14.738 ( 8.623 -0.000 4.111) 9.552 14.752 ( 6.424 -0.000 2.409) 6.861 15.420 ( -7.807 0.000 8.216) 11.334 15.483 ( -9.742 0.000 0.006) 9.742 15.686 ( 13.435 -0.000 -1.492) 13.517 15.689 ( -12.929 0.000 -6.948) 14.677 16.956 ( 12.184 -0.000 5.316) 13.293 17.147 ( 19.429 -0.000 -15.918) 25.117 17.875 ( -18.791 0.000 20.558) 27.852 18.111 ( 17.203 -0.000 0.035) 17.203 18.561 ( 34.975 -0.000 -5.690) 35.435 18.616 ( -0.533 0.000 -15.433) 15.443 20.489 ( -33.521 0.000 14.321) 36.452 20.713 ( -34.367 0.000 -9.291) 35.600 20.892 ( -28.636 0.000 9.813) 30.271 21.016 ( -24.821 0.000 -2.527) 24.949 22.457 ( -2.435 0.000 9.109) 9.429 22.683 ( -0.918 0.000 -13.533) 13.564 ======================= Grid point 438 (147/147) ======================= q-point: (-0.46 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 0.000 2.035 20.630) 20.731 2.177 ( 0.000 1.552 -21.306) 21.363 2.531 ( 0.000 3.560 19.604) 19.924 2.832 ( 0.000 2.619 -11.743) 12.031 3.165 ( -0.000 -3.820 5.493) 6.691 3.356 ( 0.000 1.621 -12.988) 13.089 3.389 ( 0.000 0.599 8.768) 8.788 3.533 ( 0.000 0.033 -6.433) 6.434 3.928 ( -0.000 -1.821 3.395) 3.852 3.988 ( -0.000 -0.918 14.527) 14.556 3.990 ( -0.000 -1.907 -3.112) 3.650 4.236 ( 0.000 0.275 -10.877) 10.881 4.803 ( 0.000 16.797 5.884) 17.798 4.889 ( -0.000 -1.357 15.552) 15.611 4.927 ( 0.000 9.276 -6.547) 11.354 5.205 ( -0.000 -1.227 -16.663) 16.708 5.684 ( -0.000 -14.216 -0.268) 14.218 5.727 ( -0.000 -5.664 -4.819) 7.437 6.567 ( 0.000 0.974 7.185) 7.251 6.654 ( -0.000 -2.648 -1.865) 3.239 7.258 ( 0.000 0.491 9.500) 9.512 7.424 ( 0.000 0.499 -7.553) 7.570 9.323 ( -0.000 -1.409 1.734) 2.234 9.391 ( -0.000 -1.309 -5.601) 5.752 10.670 ( -0.000 -1.479 34.429) 34.460 11.131 ( -0.000 -0.883 -6.611) 6.670 12.603 ( -0.000 -0.146 -2.866) 2.870 12.867 ( 0.000 1.872 -24.041) 24.113 14.221 ( -0.000 -0.034 16.267) 16.267 14.580 ( -0.000 -0.018 -20.442) 20.442 14.832 ( 0.000 2.665 4.635) 5.347 14.871 ( -0.000 -2.607 1.601) 3.059 15.246 ( 0.000 8.393 10.769) 13.653 15.420 ( 0.000 3.216 -8.533) 9.119 15.728 ( -0.000 -6.568 9.428) 11.490 15.880 ( -0.000 -6.241 -2.998) 6.924 17.109 ( -0.000 -0.214 8.778) 8.781 17.380 ( 0.000 0.296 -19.871) 19.874 17.585 ( -0.000 -0.025 26.232) 26.232 18.084 ( -0.000 -0.023 -25.033) 25.033 18.870 ( -0.000 -0.048 8.885) 8.885 19.087 ( -0.000 -0.715 -12.564) 12.584 20.018 ( 0.000 0.008 11.024) 11.024 20.203 ( 0.000 0.000 -8.056) 8.056 20.631 ( -0.000 -0.195 15.103) 15.104 20.805 ( 0.000 0.066 -3.108) 3.109 22.439 ( -0.000 -0.818 9.592) 9.627 22.679 ( -0.000 -0.322 -14.465) 14.469 =================== 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 3/40560 10.0 2782.182 9080.024 3909.533 0.000 0.000 0.000 3/40560 20.0 1646.183 2020.331 1848.508 0.000 0.000 0.000 3/40560 30.0 682.897 675.689 690.420 0.000 0.000 0.000 3/40560 40.0 343.880 312.699 346.475 0.000 0.000 0.000 3/40560 50.0 210.260 182.703 213.494 0.000 0.000 0.000 3/40560 60.0 146.010 123.246 149.385 0.000 0.000 0.000 3/40560 70.0 110.011 91.062 113.225 0.000 0.000 0.000 3/40560 80.0 87.486 71.457 90.447 0.000 0.000 0.000 3/40560 90.0 72.217 58.448 74.922 0.000 0.000 0.000 3/40560 100.0 61.241 49.255 63.715 0.000 0.000 0.000 3/40560 110.0 52.998 42.439 55.271 0.000 0.000 0.000 3/40560 120.0 46.598 37.200 48.698 0.000 0.000 0.000 3/40560 130.0 41.499 33.055 43.449 0.000 0.000 0.000 3/40560 140.0 37.352 29.700 39.168 0.000 0.000 0.000 3/40560 150.0 33.923 26.935 35.619 0.000 0.000 0.000 3/40560 160.0 31.046 24.620 32.634 0.000 0.000 0.000 3/40560 170.0 28.605 22.656 30.092 0.000 0.000 0.000 3/40560 180.0 26.511 20.972 27.905 0.000 0.000 0.000 3/40560 190.0 24.698 19.514 26.006 0.000 0.000 0.000 3/40560 200.0 23.116 18.240 24.344 0.000 0.000 0.000 3/40560 210.0 21.724 17.119 22.878 0.000 0.000 0.000 3/40560 220.0 20.492 16.126 21.576 0.000 0.000 0.000 3/40560 230.0 19.394 15.240 20.413 0.000 0.000 0.000 3/40560 240.0 18.410 14.446 19.369 0.000 0.000 0.000 3/40560 250.0 17.524 13.730 18.427 0.000 0.000 0.000 3/40560 260.0 16.721 13.082 17.572 0.000 0.000 0.000 3/40560 270.0 15.991 12.493 16.793 0.000 0.000 0.000 3/40560 280.0 15.325 11.954 16.082 0.000 0.000 0.000 3/40560 290.0 14.714 11.461 15.428 0.000 0.000 0.000 3/40560 300.0 14.151 11.007 14.827 0.000 0.000 0.000 3/40560 310.0 13.632 10.588 14.271 0.000 0.000 0.000 3/40560 320.0 13.151 10.200 13.756 0.000 0.000 0.000 3/40560 330.0 12.704 9.840 13.278 0.000 0.000 0.000 3/40560 340.0 12.288 9.506 12.833 0.000 0.000 0.000 3/40560 350.0 11.899 9.193 12.417 0.000 0.000 0.000 3/40560 360.0 11.536 8.901 12.027 0.000 0.000 0.000 3/40560 370.0 11.194 8.627 11.662 0.000 0.000 0.000 3/40560 380.0 10.873 8.370 11.319 0.000 0.000 0.000 3/40560 390.0 10.571 8.129 10.996 0.000 0.000 0.000 3/40560 400.0 10.285 7.901 10.691 0.000 0.000 0.000 3/40560 410.0 10.016 7.685 10.404 0.000 0.000 0.000 3/40560 420.0 9.760 7.482 10.131 0.000 0.000 0.000 3/40560 430.0 9.518 7.289 9.873 0.000 0.000 0.000 3/40560 440.0 9.287 7.106 9.628 0.000 0.000 0.000 3/40560 450.0 9.068 6.933 9.395 0.000 0.000 0.000 3/40560 460.0 8.860 6.767 9.173 0.000 0.000 0.000 3/40560 470.0 8.661 6.610 8.962 0.000 0.000 0.000 3/40560 480.0 8.471 6.460 8.761 0.000 0.000 0.000 3/40560 490.0 8.289 6.317 8.568 0.000 0.000 0.000 3/40560 500.0 8.116 6.180 8.384 0.000 0.000 0.000 3/40560 510.0 7.949 6.049 8.208 0.000 0.000 0.000 3/40560 520.0 7.790 5.924 8.039 0.000 0.000 0.000 3/40560 530.0 7.637 5.803 7.878 0.000 0.000 0.000 3/40560 540.0 7.490 5.688 7.723 0.000 0.000 0.000 3/40560 550.0 7.348 5.578 7.573 0.000 0.000 0.000 3/40560 560.0 7.212 5.471 7.430 0.000 0.000 0.000 3/40560 570.0 7.081 5.369 7.292 0.000 0.000 0.000 3/40560 580.0 6.955 5.270 7.159 0.000 0.000 0.000 3/40560 590.0 6.833 5.176 7.031 0.000 0.000 0.000 3/40560 600.0 6.716 5.084 6.908 0.000 0.000 0.000 3/40560 610.0 6.603 4.996 6.789 0.000 0.000 0.000 3/40560 620.0 6.493 4.911 6.674 0.000 0.000 0.000 3/40560 630.0 6.387 4.829 6.563 0.000 0.000 0.000 3/40560 640.0 6.285 4.749 6.456 0.000 0.000 0.000 3/40560 650.0 6.186 4.672 6.352 0.000 0.000 0.000 3/40560 660.0 6.089 4.598 6.252 0.000 0.000 0.000 3/40560 670.0 5.996 4.526 6.154 0.000 0.000 0.000 3/40560 680.0 5.906 4.456 6.060 0.000 0.000 0.000 3/40560 690.0 5.819 4.389 5.969 0.000 0.000 0.000 3/40560 700.0 5.734 4.323 5.880 0.000 0.000 0.000 3/40560 710.0 5.651 4.260 5.794 0.000 0.000 0.000 3/40560 720.0 5.571 4.198 5.711 0.000 0.000 0.000 3/40560 730.0 5.493 4.138 5.630 0.000 0.000 0.000 3/40560 740.0 5.418 4.080 5.551 0.000 0.000 0.000 3/40560 750.0 5.344 4.023 5.474 0.000 0.000 0.000 3/40560 760.0 5.273 3.968 5.400 0.000 0.000 0.000 3/40560 770.0 5.203 3.915 5.327 0.000 0.000 0.000 3/40560 780.0 5.135 3.863 5.257 0.000 0.000 0.000 3/40560 790.0 5.069 3.812 5.188 0.000 0.000 0.000 3/40560 800.0 5.005 3.763 5.121 0.000 0.000 0.000 3/40560 810.0 4.942 3.715 5.056 0.000 0.000 0.000 3/40560 820.0 4.881 3.668 4.993 0.000 0.000 0.000 3/40560 830.0 4.821 3.622 4.931 0.000 0.000 0.000 3/40560 840.0 4.763 3.578 4.871 0.000 0.000 0.000 3/40560 850.0 4.706 3.535 4.812 0.000 0.000 0.000 3/40560 860.0 4.651 3.492 4.754 0.000 0.000 0.000 3/40560 870.0 4.597 3.451 4.698 0.000 0.000 0.000 3/40560 880.0 4.544 3.411 4.644 0.000 0.000 0.000 3/40560 890.0 4.492 3.371 4.590 0.000 0.000 0.000 3/40560 900.0 4.442 3.333 4.538 0.000 0.000 0.000 3/40560 910.0 4.392 3.295 4.487 0.000 0.000 0.000 3/40560 920.0 4.344 3.258 4.437 0.000 0.000 0.000 3/40560 930.0 4.297 3.222 4.388 0.000 0.000 0.000 3/40560 940.0 4.251 3.187 4.341 0.000 0.000 0.000 3/40560 950.0 4.205 3.153 4.294 0.000 0.000 0.000 3/40560 960.0 4.161 3.119 4.248 0.000 0.000 0.000 3/40560 970.0 4.118 3.086 4.204 0.000 0.000 0.000 3/40560 980.0 4.075 3.054 4.160 0.000 0.000 0.000 3/40560 990.0 4.034 3.022 4.117 0.000 0.000 0.000 3/40560 1000.0 3.993 2.992 4.075 0.000 0.000 0.000 3/40560 Thermal conductivity related properties were written into "kappa-m13135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:22:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|