----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:57:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.570815080075619 1.484260778518405 4.548700569999995 b -2.570815080075613 1.484260778518405 4.548700569999995 c 0.000000000000003 -2.968521557036814 4.548700569999995 Atomic positions (fractional): *1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *2 F 0.24182220391640 0.64169342151519 0.87443588233853 18.998 3 F 0.64169342151519 0.87443588233853 0.24182220391640 18.998 4 F 0.12556411766147 0.75817779608361 0.35830657848481 18.998 5 F 0.87443588233853 0.24182220391640 0.64169342151519 18.998 6 F 0.35830657848481 0.12556411766147 0.75817779608360 18.998 7 F 0.75817779608360 0.35830657848481 0.12556411766147 18.998 *8 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.141630160151232 0.000000000000000 0.000000000000000 b -2.570815080075616 4.452782335555218 0.000000000000000 c 0.000000000000000 0.000000000000000 13.646101709999998 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.16666666666667 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.66666666666667 0.33333333333333 0.83333333333333 6.941 > 1 *4 F 0.98917170132636 0.37821462025151 0.25265050259004 18.998 > 2 5 F 0.38904291892515 0.01082829867364 0.25265050259004 18.998 > 3 6 F 0.04488128691817 0.72237625225848 0.08068283074329 18.998 > 4 7 F 0.62178537974849 0.61095708107485 0.25265050259004 18.998 > 5 8 F 0.27762374774152 0.32250503465969 0.08068283074329 18.998 > 6 9 F 0.67749496534031 0.95511871308183 0.08068283074329 18.998 > 7 10 F 0.65583836799302 0.71154795358484 0.58598383592337 18.998 > 2 11 F 0.05570958559182 0.34416163200698 0.58598383592337 18.998 > 3 12 F 0.71154795358484 0.05570958559182 0.41401616407663 18.998 > 4 13 F 0.28845204641516 0.94429041440818 0.58598383592337 18.998 > 5 14 F 0.94429041440818 0.65583836799302 0.41401616407663 18.998 > 6 15 F 0.34416163200698 0.28845204641516 0.41401616407663 18.998 > 7 16 F 0.32250503465969 0.04488128691817 0.91931716925671 18.998 > 2 17 F 0.72237625225848 0.67749496534031 0.91931716925671 18.998 > 3 18 F 0.37821462025151 0.38904291892515 0.74734949740996 18.998 > 4 19 F 0.95511871308183 0.27762374774152 0.91931716925671 18.998 > 5 20 F 0.61095708107485 0.98917170132636 0.74734949740996 18.998 > 6 21 F 0.01082829867364 0.62178537974849 0.74734949740996 18.998 > 7 *22 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 8 23 Sb 0.66666666666667 0.33333333333333 0.33333333333333 121.760 > 8 24 Sb 0.33333333333333 0.66666666666667 0.66666666666667 121.760 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.283260320302464 0.000000000000000 0.000000000000000 b -5.141630160151232 8.905564671110437 0.000000000000000 c 0.000000000000000 0.000000000000000 13.646101709999998 Atomic positions (fractional): *1 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 6 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 1 10 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 1 11 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 1 12 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 1 *13 F 0.49458585066318 0.18910731012575 0.25265050259004 18.998 > 2 14 F 0.99458585066318 0.18910731012575 0.25265050259004 18.998 > 2 15 F 0.49458585066318 0.68910731012575 0.25265050259004 18.998 > 2 16 F 0.99458585066318 0.68910731012575 0.25265050259004 18.998 > 2 17 F 0.19452145946258 0.00541414933682 0.25265050259004 18.998 > 3 18 F 0.69452145946258 0.00541414933682 0.25265050259004 18.998 > 3 19 F 0.19452145946258 0.50541414933682 0.25265050259004 18.998 > 3 20 F 0.69452145946258 0.50541414933682 0.25265050259004 18.998 > 3 21 F 0.02244064345909 0.36118812612924 0.08068283074329 18.998 > 4 22 F 0.52244064345909 0.36118812612924 0.08068283074329 18.998 > 4 23 F 0.02244064345909 0.86118812612924 0.08068283074329 18.998 > 4 24 F 0.52244064345909 0.86118812612924 0.08068283074329 18.998 > 4 25 F 0.31089268987425 0.30547854053743 0.25265050259004 18.998 > 5 26 F 0.81089268987425 0.30547854053743 0.25265050259004 18.998 > 5 27 F 0.31089268987425 0.80547854053742 0.25265050259004 18.998 > 5 28 F 0.81089268987425 0.80547854053742 0.25265050259004 18.998 > 5 29 F 0.13881187387076 0.16125251732984 0.08068283074329 18.998 > 6 30 F 0.63881187387076 0.16125251732984 0.08068283074329 18.998 > 6 31 F 0.13881187387076 0.66125251732985 0.08068283074329 18.998 > 6 32 F 0.63881187387076 0.66125251732985 0.08068283074329 18.998 > 6 33 F 0.33874748267015 0.47755935654091 0.08068283074329 18.998 > 7 34 F 0.83874748267015 0.47755935654091 0.08068283074329 18.998 > 7 35 F 0.33874748267015 0.97755935654091 0.08068283074329 18.998 > 7 36 F 0.83874748267015 0.97755935654091 0.08068283074329 18.998 > 7 37 F 0.32791918399651 0.35577397679242 0.58598383592337 18.998 > 2 38 F 0.82791918399651 0.35577397679242 0.58598383592337 18.998 > 2 39 F 0.32791918399651 0.85577397679242 0.58598383592337 18.998 > 2 40 F 0.82791918399651 0.85577397679242 0.58598383592337 18.998 > 2 41 F 0.02785479279591 0.17208081600349 0.58598383592337 18.998 > 3 42 F 0.52785479279591 0.17208081600349 0.58598383592337 18.998 > 3 43 F 0.02785479279591 0.67208081600349 0.58598383592337 18.998 > 3 44 F 0.52785479279591 0.67208081600349 0.58598383592337 18.998 > 3 45 F 0.35577397679242 0.02785479279591 0.41401616407663 18.998 > 4 46 F 0.85577397679242 0.02785479279591 0.41401616407663 18.998 > 4 47 F 0.35577397679242 0.52785479279591 0.41401616407663 18.998 > 4 48 F 0.85577397679242 0.52785479279591 0.41401616407663 18.998 > 4 49 F 0.14422602320758 0.47214520720409 0.58598383592337 18.998 > 5 50 F 0.64422602320758 0.47214520720409 0.58598383592337 18.998 > 5 51 F 0.14422602320758 0.97214520720409 0.58598383592337 18.998 > 5 52 F 0.64422602320758 0.97214520720409 0.58598383592337 18.998 > 5 53 F 0.47214520720409 0.32791918399651 0.41401616407663 18.998 > 6 54 F 0.97214520720409 0.32791918399651 0.41401616407663 18.998 > 6 55 F 0.47214520720409 0.82791918399651 0.41401616407663 18.998 > 6 56 F 0.97214520720409 0.82791918399651 0.41401616407663 18.998 > 6 57 F 0.17208081600349 0.14422602320758 0.41401616407663 18.998 > 7 58 F 0.67208081600349 0.14422602320758 0.41401616407663 18.998 > 7 59 F 0.17208081600349 0.64422602320758 0.41401616407663 18.998 > 7 60 F 0.67208081600349 0.64422602320758 0.41401616407663 18.998 > 7 61 F 0.16125251732984 0.02244064345909 0.91931716925671 18.998 > 2 62 F 0.66125251732985 0.02244064345909 0.91931716925671 18.998 > 2 63 F 0.16125251732984 0.52244064345909 0.91931716925671 18.998 > 2 64 F 0.66125251732985 0.52244064345909 0.91931716925671 18.998 > 2 65 F 0.36118812612924 0.33874748267015 0.91931716925671 18.998 > 3 66 F 0.86118812612924 0.33874748267015 0.91931716925671 18.998 > 3 67 F 0.36118812612924 0.83874748267015 0.91931716925671 18.998 > 3 68 F 0.86118812612924 0.83874748267015 0.91931716925671 18.998 > 3 69 F 0.18910731012575 0.19452145946258 0.74734949740996 18.998 > 4 70 F 0.68910731012575 0.19452145946258 0.74734949740996 18.998 > 4 71 F 0.18910731012575 0.69452145946258 0.74734949740996 18.998 > 4 72 F 0.68910731012575 0.69452145946258 0.74734949740996 18.998 > 4 73 F 0.47755935654091 0.13881187387076 0.91931716925671 18.998 > 5 74 F 0.97755935654091 0.13881187387076 0.91931716925671 18.998 > 5 75 F 0.47755935654091 0.63881187387076 0.91931716925671 18.998 > 5 76 F 0.97755935654091 0.63881187387076 0.91931716925671 18.998 > 5 77 F 0.30547854053743 0.49458585066318 0.74734949740996 18.998 > 6 78 F 0.80547854053742 0.49458585066318 0.74734949740996 18.998 > 6 79 F 0.30547854053743 0.99458585066318 0.74734949740996 18.998 > 6 80 F 0.80547854053742 0.99458585066318 0.74734949740996 18.998 > 6 81 F 0.00541414933682 0.31089268987425 0.74734949740996 18.998 > 7 82 F 0.50541414933682 0.31089268987425 0.74734949740996 18.998 > 7 83 F 0.00541414933682 0.81089268987425 0.74734949740996 18.998 > 7 84 F 0.50541414933682 0.81089268987425 0.74734949740996 18.998 > 7 *85 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 8 86 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 8 87 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 8 88 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 8 89 Sb 0.33333333333333 0.16666666666667 0.33333333333333 121.760 > 8 90 Sb 0.83333333333333 0.16666666666667 0.33333333333333 121.760 > 8 91 Sb 0.33333333333333 0.66666666666667 0.33333333333333 121.760 > 8 92 Sb 0.83333333333333 0.66666666666667 0.33333333333333 121.760 > 8 93 Sb 0.16666666666667 0.33333333333333 0.66666666666667 121.760 > 8 94 Sb 0.66666666666667 0.33333333333333 0.66666666666667 121.760 > 8 95 Sb 0.16666666666667 0.83333333333333 0.66666666666667 121.760 > 8 96 Sb 0.66666666666667 0.83333333333333 0.66666666666667 121.760 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0888942 -0.0000000 0.0000000 0.0000000 2.0888942 0.0000000 0.0000000 0.0000000 2.0908199 -------------------------- Born effective charges -------------------------- 1 Li 1.2046245 0.1560359 -0.0000000 -0.1560359 1.2046245 -0.0000000 -0.0000000 0.0000000 1.2933791 2 F -1.0448005 -0.1335734 0.3266735 -0.1164351 -0.6928245 0.1148784 0.3192994 0.1150757 -0.8701464 3 F -0.6725616 -0.0984771 -0.0638491 -0.0813388 -1.0650634 -0.3403467 -0.0599913 -0.3340592 -0.8701464 4 F -0.8890754 0.2063431 -0.2628243 0.2234814 -0.8485496 0.2254683 -0.2593082 0.2189836 -0.8701464 5 F -0.8890754 0.2063431 -0.2628243 0.2234814 -0.8485496 0.2254683 -0.2593082 0.2189836 -0.8701464 6 F -0.6725616 -0.0984771 -0.0638491 -0.0813388 -1.0650634 -0.3403467 -0.0599913 -0.3340592 -0.8701464 7 F -1.0448005 -0.1335734 0.3266735 -0.1164351 -0.6928245 0.1148784 0.3192994 0.1150757 -0.8701464 8 Sb 4.0082504 -0.1046209 -0.0000000 0.1046209 4.0082504 -0.0000000 -0.0000000 0.0000000 3.9274990 ---------------------------------------------------------------------------- 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: 4920/4920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 620 Number of blocks in projector: 292 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (620, 606), data: False |-- (80, 77), data: True |-- (256, 252), data: True |-- (284, 277), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 160 - Time: 0.475 Solver_block: 160 / 160 - Time: 0.324 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.814 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 4920/4920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 620 Number of blocks in projector: 292 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (620, 606), data: False |-- (80, 77), data: True |-- (256, 252), data: True |-- (284, 277), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:57:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:57:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.570815080075619 1.484260778518405 4.548700569999995 b -2.570815080075613 1.484260778518405 4.548700569999995 c 0.000000000000003 -2.968521557036814 4.548700569999995 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 F 0.24182220391640 0.64169342151519 0.87443588233853 18.998 3 F 0.64169342151519 0.87443588233853 0.24182220391640 18.998 4 F 0.12556411766147 0.75817779608361 0.35830657848481 18.998 5 F 0.87443588233853 0.24182220391640 0.64169342151519 18.998 6 F 0.35830657848481 0.12556411766147 0.75817779608360 18.998 7 F 0.75817779608360 0.35830657848481 0.12556411766147 18.998 8 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.283260320302464 0.000000000000000 0.000000000000000 b -5.141630160151232 8.905564671110437 0.000000000000000 c 0.000000000000000 0.000000000000000 13.646101709999998 Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 6 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 1 10 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 1 11 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 1 12 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 1 13 F 0.49458585066318 0.18910731012575 0.25265050259004 18.998 > 13 14 F 0.99458585066318 0.18910731012575 0.25265050259004 18.998 > 13 15 F 0.49458585066318 0.68910731012575 0.25265050259004 18.998 > 13 16 F 0.99458585066318 0.68910731012575 0.25265050259004 18.998 > 13 17 F 0.19452145946258 0.00541414933682 0.25265050259004 18.998 > 17 18 F 0.69452145946258 0.00541414933682 0.25265050259004 18.998 > 17 19 F 0.19452145946258 0.50541414933682 0.25265050259004 18.998 > 17 20 F 0.69452145946258 0.50541414933682 0.25265050259004 18.998 > 17 21 F 0.02244064345909 0.36118812612924 0.08068283074329 18.998 > 21 22 F 0.52244064345909 0.36118812612924 0.08068283074329 18.998 > 21 23 F 0.02244064345909 0.86118812612924 0.08068283074329 18.998 > 21 24 F 0.52244064345909 0.86118812612924 0.08068283074329 18.998 > 21 25 F 0.31089268987425 0.30547854053743 0.25265050259004 18.998 > 25 26 F 0.81089268987425 0.30547854053743 0.25265050259004 18.998 > 25 27 F 0.31089268987425 0.80547854053742 0.25265050259004 18.998 > 25 28 F 0.81089268987425 0.80547854053742 0.25265050259004 18.998 > 25 29 F 0.13881187387076 0.16125251732984 0.08068283074329 18.998 > 29 30 F 0.63881187387076 0.16125251732984 0.08068283074329 18.998 > 29 31 F 0.13881187387076 0.66125251732985 0.08068283074329 18.998 > 29 32 F 0.63881187387076 0.66125251732985 0.08068283074329 18.998 > 29 33 F 0.33874748267015 0.47755935654091 0.08068283074329 18.998 > 33 34 F 0.83874748267015 0.47755935654091 0.08068283074329 18.998 > 33 35 F 0.33874748267015 0.97755935654091 0.08068283074329 18.998 > 33 36 F 0.83874748267015 0.97755935654091 0.08068283074329 18.998 > 33 37 F 0.32791918399651 0.35577397679242 0.58598383592337 18.998 > 13 38 F 0.82791918399651 0.35577397679242 0.58598383592337 18.998 > 13 39 F 0.32791918399651 0.85577397679242 0.58598383592337 18.998 > 13 40 F 0.82791918399651 0.85577397679242 0.58598383592337 18.998 > 13 41 F 0.02785479279591 0.17208081600349 0.58598383592337 18.998 > 17 42 F 0.52785479279591 0.17208081600349 0.58598383592337 18.998 > 17 43 F 0.02785479279591 0.67208081600349 0.58598383592337 18.998 > 17 44 F 0.52785479279591 0.67208081600349 0.58598383592337 18.998 > 17 45 F 0.35577397679242 0.02785479279591 0.41401616407663 18.998 > 21 46 F 0.85577397679242 0.02785479279591 0.41401616407663 18.998 > 21 47 F 0.35577397679242 0.52785479279591 0.41401616407663 18.998 > 21 48 F 0.85577397679242 0.52785479279591 0.41401616407663 18.998 > 21 49 F 0.14422602320758 0.47214520720409 0.58598383592337 18.998 > 25 50 F 0.64422602320758 0.47214520720409 0.58598383592337 18.998 > 25 51 F 0.14422602320758 0.97214520720409 0.58598383592337 18.998 > 25 52 F 0.64422602320758 0.97214520720409 0.58598383592337 18.998 > 25 53 F 0.47214520720409 0.32791918399651 0.41401616407663 18.998 > 29 54 F 0.97214520720409 0.32791918399651 0.41401616407663 18.998 > 29 55 F 0.47214520720409 0.82791918399651 0.41401616407663 18.998 > 29 56 F 0.97214520720409 0.82791918399651 0.41401616407663 18.998 > 29 57 F 0.17208081600349 0.14422602320758 0.41401616407663 18.998 > 33 58 F 0.67208081600349 0.14422602320758 0.41401616407663 18.998 > 33 59 F 0.17208081600349 0.64422602320758 0.41401616407663 18.998 > 33 60 F 0.67208081600349 0.64422602320758 0.41401616407663 18.998 > 33 61 F 0.16125251732984 0.02244064345909 0.91931716925671 18.998 > 13 62 F 0.66125251732985 0.02244064345909 0.91931716925671 18.998 > 13 63 F 0.16125251732984 0.52244064345909 0.91931716925671 18.998 > 13 64 F 0.66125251732985 0.52244064345909 0.91931716925671 18.998 > 13 65 F 0.36118812612924 0.33874748267015 0.91931716925671 18.998 > 17 66 F 0.86118812612924 0.33874748267015 0.91931716925671 18.998 > 17 67 F 0.36118812612924 0.83874748267015 0.91931716925671 18.998 > 17 68 F 0.86118812612924 0.83874748267015 0.91931716925671 18.998 > 17 69 F 0.18910731012575 0.19452145946258 0.74734949740996 18.998 > 21 70 F 0.68910731012575 0.19452145946258 0.74734949740996 18.998 > 21 71 F 0.18910731012575 0.69452145946258 0.74734949740996 18.998 > 21 72 F 0.68910731012575 0.69452145946258 0.74734949740996 18.998 > 21 73 F 0.47755935654091 0.13881187387076 0.91931716925671 18.998 > 25 74 F 0.97755935654091 0.13881187387076 0.91931716925671 18.998 > 25 75 F 0.47755935654091 0.63881187387076 0.91931716925671 18.998 > 25 76 F 0.97755935654091 0.63881187387076 0.91931716925671 18.998 > 25 77 F 0.30547854053743 0.49458585066318 0.74734949740996 18.998 > 29 78 F 0.80547854053742 0.49458585066318 0.74734949740996 18.998 > 29 79 F 0.30547854053743 0.99458585066318 0.74734949740996 18.998 > 29 80 F 0.80547854053742 0.99458585066318 0.74734949740996 18.998 > 29 81 F 0.00541414933682 0.31089268987425 0.74734949740996 18.998 > 33 82 F 0.50541414933682 0.31089268987425 0.74734949740996 18.998 > 33 83 F 0.00541414933682 0.81089268987425 0.74734949740996 18.998 > 33 84 F 0.50541414933682 0.81089268987425 0.74734949740996 18.998 > 33 85 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 85 86 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 85 87 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 85 88 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 85 89 Sb 0.33333333333333 0.16666666666667 0.33333333333333 121.760 > 85 90 Sb 0.83333333333333 0.16666666666667 0.33333333333333 121.760 > 85 91 Sb 0.33333333333333 0.66666666666667 0.33333333333333 121.760 > 85 92 Sb 0.83333333333333 0.66666666666667 0.33333333333333 121.760 > 85 93 Sb 0.16666666666667 0.33333333333333 0.66666666666667 121.760 > 85 94 Sb 0.66666666666667 0.33333333333333 0.66666666666667 121.760 > 85 95 Sb 0.16666666666667 0.83333333333333 0.66666666666667 121.760 > 85 96 Sb 0.66666666666667 0.83333333333333 0.66666666666667 121.760 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0888942 -0.0000000 0.0000000 0.0000000 2.0888942 0.0000000 0.0000000 0.0000000 2.0908199 -------------------------- Born effective charges -------------------------- 1 Li 1.2046245 0.1560359 -0.0000000 -0.1560359 1.2046245 -0.0000000 -0.0000000 0.0000000 1.2933791 2 F -1.0448005 -0.1335734 0.3266735 -0.1164351 -0.6928245 0.1148784 0.3192994 0.1150757 -0.8701464 3 F -0.6725616 -0.0984771 -0.0638491 -0.0813388 -1.0650634 -0.3403467 -0.0599913 -0.3340592 -0.8701464 4 F -0.8890754 0.2063431 -0.2628243 0.2234814 -0.8485496 0.2254683 -0.2593082 0.2189836 -0.8701464 5 F -0.8890754 0.2063431 -0.2628243 0.2234814 -0.8485496 0.2254683 -0.2593082 0.2189836 -0.8701464 6 F -0.6725616 -0.0984771 -0.0638491 -0.0813388 -1.0650634 -0.3403467 -0.0599913 -0.3340592 -0.8701464 7 F -1.0448005 -0.1335734 0.3266735 -0.1164351 -0.6928245 0.1148784 0.3192994 0.1150757 -0.8701464 8 Sb 4.0082504 -0.1046209 -0.0000000 0.1046209 4.0082504 -0.0000000 -0.0000000 0.0000000 3.9274990 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: 0.00000003 (yyz) 0.00000003 (yyz) 0.00000003 (yzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000019 (xy) -0.00000019 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:57:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:57:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.570815080075619 1.484260778518405 4.548700569999995 b -2.570815080075613 1.484260778518405 4.548700569999995 c 0.000000000000003 -2.968521557036814 4.548700569999995 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 F 0.24182220391640 0.64169342151519 0.87443588233853 18.998 3 F 0.64169342151519 0.87443588233853 0.24182220391640 18.998 4 F 0.12556411766147 0.75817779608361 0.35830657848481 18.998 5 F 0.87443588233853 0.24182220391640 0.64169342151519 18.998 6 F 0.35830657848481 0.12556411766147 0.75817779608360 18.998 7 F 0.75817779608360 0.35830657848481 0.12556411766147 18.998 8 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.283260320302464 0.000000000000000 0.000000000000000 b -5.141630160151232 8.905564671110437 0.000000000000000 c 0.000000000000000 0.000000000000000 13.646101709999998 Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 6 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 1 10 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 1 11 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 1 12 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 1 13 F 0.49458585066318 0.18910731012575 0.25265050259004 18.998 > 13 14 F 0.99458585066318 0.18910731012575 0.25265050259004 18.998 > 13 15 F 0.49458585066318 0.68910731012575 0.25265050259004 18.998 > 13 16 F 0.99458585066318 0.68910731012575 0.25265050259004 18.998 > 13 17 F 0.19452145946258 0.00541414933682 0.25265050259004 18.998 > 17 18 F 0.69452145946258 0.00541414933682 0.25265050259004 18.998 > 17 19 F 0.19452145946258 0.50541414933682 0.25265050259004 18.998 > 17 20 F 0.69452145946258 0.50541414933682 0.25265050259004 18.998 > 17 21 F 0.02244064345909 0.36118812612924 0.08068283074329 18.998 > 21 22 F 0.52244064345909 0.36118812612924 0.08068283074329 18.998 > 21 23 F 0.02244064345909 0.86118812612924 0.08068283074329 18.998 > 21 24 F 0.52244064345909 0.86118812612924 0.08068283074329 18.998 > 21 25 F 0.31089268987425 0.30547854053743 0.25265050259004 18.998 > 25 26 F 0.81089268987425 0.30547854053743 0.25265050259004 18.998 > 25 27 F 0.31089268987425 0.80547854053742 0.25265050259004 18.998 > 25 28 F 0.81089268987425 0.80547854053742 0.25265050259004 18.998 > 25 29 F 0.13881187387076 0.16125251732984 0.08068283074329 18.998 > 29 30 F 0.63881187387076 0.16125251732984 0.08068283074329 18.998 > 29 31 F 0.13881187387076 0.66125251732985 0.08068283074329 18.998 > 29 32 F 0.63881187387076 0.66125251732985 0.08068283074329 18.998 > 29 33 F 0.33874748267015 0.47755935654091 0.08068283074329 18.998 > 33 34 F 0.83874748267015 0.47755935654091 0.08068283074329 18.998 > 33 35 F 0.33874748267015 0.97755935654091 0.08068283074329 18.998 > 33 36 F 0.83874748267015 0.97755935654091 0.08068283074329 18.998 > 33 37 F 0.32791918399651 0.35577397679242 0.58598383592337 18.998 > 13 38 F 0.82791918399651 0.35577397679242 0.58598383592337 18.998 > 13 39 F 0.32791918399651 0.85577397679242 0.58598383592337 18.998 > 13 40 F 0.82791918399651 0.85577397679242 0.58598383592337 18.998 > 13 41 F 0.02785479279591 0.17208081600349 0.58598383592337 18.998 > 17 42 F 0.52785479279591 0.17208081600349 0.58598383592337 18.998 > 17 43 F 0.02785479279591 0.67208081600349 0.58598383592337 18.998 > 17 44 F 0.52785479279591 0.67208081600349 0.58598383592337 18.998 > 17 45 F 0.35577397679242 0.02785479279591 0.41401616407663 18.998 > 21 46 F 0.85577397679242 0.02785479279591 0.41401616407663 18.998 > 21 47 F 0.35577397679242 0.52785479279591 0.41401616407663 18.998 > 21 48 F 0.85577397679242 0.52785479279591 0.41401616407663 18.998 > 21 49 F 0.14422602320758 0.47214520720409 0.58598383592337 18.998 > 25 50 F 0.64422602320758 0.47214520720409 0.58598383592337 18.998 > 25 51 F 0.14422602320758 0.97214520720409 0.58598383592337 18.998 > 25 52 F 0.64422602320758 0.97214520720409 0.58598383592337 18.998 > 25 53 F 0.47214520720409 0.32791918399651 0.41401616407663 18.998 > 29 54 F 0.97214520720409 0.32791918399651 0.41401616407663 18.998 > 29 55 F 0.47214520720409 0.82791918399651 0.41401616407663 18.998 > 29 56 F 0.97214520720409 0.82791918399651 0.41401616407663 18.998 > 29 57 F 0.17208081600349 0.14422602320758 0.41401616407663 18.998 > 33 58 F 0.67208081600349 0.14422602320758 0.41401616407663 18.998 > 33 59 F 0.17208081600349 0.64422602320758 0.41401616407663 18.998 > 33 60 F 0.67208081600349 0.64422602320758 0.41401616407663 18.998 > 33 61 F 0.16125251732984 0.02244064345909 0.91931716925671 18.998 > 13 62 F 0.66125251732985 0.02244064345909 0.91931716925671 18.998 > 13 63 F 0.16125251732984 0.52244064345909 0.91931716925671 18.998 > 13 64 F 0.66125251732985 0.52244064345909 0.91931716925671 18.998 > 13 65 F 0.36118812612924 0.33874748267015 0.91931716925671 18.998 > 17 66 F 0.86118812612924 0.33874748267015 0.91931716925671 18.998 > 17 67 F 0.36118812612924 0.83874748267015 0.91931716925671 18.998 > 17 68 F 0.86118812612924 0.83874748267015 0.91931716925671 18.998 > 17 69 F 0.18910731012575 0.19452145946258 0.74734949740996 18.998 > 21 70 F 0.68910731012575 0.19452145946258 0.74734949740996 18.998 > 21 71 F 0.18910731012575 0.69452145946258 0.74734949740996 18.998 > 21 72 F 0.68910731012575 0.69452145946258 0.74734949740996 18.998 > 21 73 F 0.47755935654091 0.13881187387076 0.91931716925671 18.998 > 25 74 F 0.97755935654091 0.13881187387076 0.91931716925671 18.998 > 25 75 F 0.47755935654091 0.63881187387076 0.91931716925671 18.998 > 25 76 F 0.97755935654091 0.63881187387076 0.91931716925671 18.998 > 25 77 F 0.30547854053743 0.49458585066318 0.74734949740996 18.998 > 29 78 F 0.80547854053742 0.49458585066318 0.74734949740996 18.998 > 29 79 F 0.30547854053743 0.99458585066318 0.74734949740996 18.998 > 29 80 F 0.80547854053742 0.99458585066318 0.74734949740996 18.998 > 29 81 F 0.00541414933682 0.31089268987425 0.74734949740996 18.998 > 33 82 F 0.50541414933682 0.31089268987425 0.74734949740996 18.998 > 33 83 F 0.00541414933682 0.81089268987425 0.74734949740996 18.998 > 33 84 F 0.50541414933682 0.81089268987425 0.74734949740996 18.998 > 33 85 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 85 86 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 85 87 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 85 88 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 85 89 Sb 0.33333333333333 0.16666666666667 0.33333333333333 121.760 > 85 90 Sb 0.83333333333333 0.16666666666667 0.33333333333333 121.760 > 85 91 Sb 0.33333333333333 0.66666666666667 0.33333333333333 121.760 > 85 92 Sb 0.83333333333333 0.66666666666667 0.33333333333333 121.760 > 85 93 Sb 0.16666666666667 0.33333333333333 0.66666666666667 121.760 > 85 94 Sb 0.66666666666667 0.33333333333333 0.66666666666667 121.760 > 85 95 Sb 0.16666666666667 0.83333333333333 0.66666666666667 121.760 > 85 96 Sb 0.66666666666667 0.83333333333333 0.66666666666667 121.760 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0888942 -0.0000000 0.0000000 0.0000000 2.0888942 0.0000000 0.0000000 0.0000000 2.0908199 -------------------------- Born effective charges -------------------------- 1 Li 1.2046245 0.1560359 -0.0000000 -0.1560359 1.2046245 -0.0000000 -0.0000000 0.0000000 1.2933791 2 F -1.0448005 -0.1335734 0.3266735 -0.1164351 -0.6928245 0.1148784 0.3192994 0.1150757 -0.8701464 3 F -0.6725616 -0.0984771 -0.0638491 -0.0813388 -1.0650634 -0.3403467 -0.0599913 -0.3340592 -0.8701464 4 F -0.8890754 0.2063431 -0.2628243 0.2234814 -0.8485496 0.2254683 -0.2593082 0.2189836 -0.8701464 5 F -0.8890754 0.2063431 -0.2628243 0.2234814 -0.8485496 0.2254683 -0.2593082 0.2189836 -0.8701464 6 F -0.6725616 -0.0984771 -0.0638491 -0.0813388 -1.0650634 -0.3403467 -0.0599913 -0.3340592 -0.8701464 7 F -1.0448005 -0.1335734 0.3266735 -0.1164351 -0.6928245 0.1148784 0.3192994 0.1150757 -0.8701464 8 Sb 4.0082504 -0.1046209 -0.0000000 0.1046209 4.0082504 -0.0000000 -0.0000000 0.0000000 3.9274990 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yyz) 0.00000003 (yyz) 0.00000003 (yzy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 12 ] 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: 0.88, Number of G-points: 297, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/294) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 294 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 2.737 ( 0.000 0.000 0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 4.989 ( 0.000 0.000 0.000) 0.000 4.989 ( 0.000 0.000 0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 6.798 ( 0.000 0.000 0.000) 0.000 7.141 ( 0.000 0.000 0.000) 0.000 7.141 ( 0.000 0.000 0.000) 0.000 8.186 ( 0.000 0.000 0.000) 0.000 8.186 ( 0.000 0.000 0.000) 0.000 8.224 ( 0.000 0.000 0.000) 0.000 9.581 ( 0.000 0.000 0.000) 0.000 9.581 ( 0.000 0.000 0.000) 0.000 9.716 ( 0.000 0.000 0.000) 0.000 16.668 ( 0.000 0.000 0.000) 0.000 16.668 ( 0.000 0.000 0.000) 0.000 19.018 ( 0.000 0.000 0.000) 0.000 19.041 ( 0.000 0.000 0.000) 0.000 19.041 ( 0.000 0.000 0.000) 0.000 19.110 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/294) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 23.848 10.643 -8.450) 27.448 0.455 ( 13.988 14.000 15.400) 25.077 0.567 ( 20.767 10.029 21.021) 31.205 2.736 ( 0.201 -0.529 -0.199) 0.600 2.751 ( 0.894 0.940 0.805) 1.526 3.918 ( -2.537 -1.450 -0.531) 2.970 5.002 ( 1.561 -0.085 -0.383) 1.610 5.081 ( 3.183 2.953 0.758) 4.407 5.841 ( -1.029 -0.693 0.653) 1.402 6.869 ( 0.080 0.459 10.014) 10.025 7.156 ( 1.501 -0.900 2.521) 3.069 8.075 ( -6.655 -4.248 -0.674) 7.924 8.178 ( -0.639 -3.752 0.567) 3.848 8.194 ( -1.924 0.817 -0.617) 2.179 8.384 ( 2.223 7.112 3.536) 8.248 9.577 ( 2.960 -3.706 -3.816) 6.088 9.672 ( -2.855 -1.851 -0.330) 3.418 11.519 ( -2.822 1.273 -2.698) 4.106 16.686 ( 2.031 0.941 -0.984) 2.445 16.699 ( 1.457 2.153 2.929) 3.916 19.013 ( -0.391 -0.036 -0.550) 0.676 19.045 ( 0.452 0.572 -1.112) 1.329 19.091 ( -0.959 -0.311 -0.889) 1.344 20.693 ( -1.107 -2.358 1.868) 3.205 ======================= Grid point 2 (3/294) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 22.651 11.348 -6.814) 26.236 0.899 ( 15.134 10.280 14.993) 23.654 1.111 ( 18.415 12.237 18.610) 28.900 2.731 ( 0.457 -1.191 -0.475) 1.362 2.795 ( 1.787 2.164 1.672) 3.267 3.834 ( -4.836 -2.774 -1.050) 5.673 5.025 ( 1.905 -0.501 -1.172) 2.292 5.192 ( 4.239 4.084 3.876) 7.048 5.818 ( -1.113 -1.212 1.042) 1.948 6.968 ( 4.514 4.065 3.074) 6.808 7.210 ( 3.363 -1.028 5.431) 6.470 7.916 ( -6.971 -3.469 -3.125) 8.390 8.094 ( -3.537 -5.003 0.272) 6.133 8.185 ( -0.138 -0.333 -0.236) 0.431 8.501 ( 0.003 10.070 2.590) 10.398 9.547 ( 6.949 -12.927 -10.327) 17.946 9.586 ( -8.262 1.020 6.153) 10.352 11.447 ( -5.683 2.118 -3.193) 6.854 16.736 ( 3.486 1.726 -1.784) 4.279 16.786 ( 2.574 3.689 5.164) 6.848 18.998 ( -0.773 0.424 -1.708) 1.922 19.045 ( -0.085 -1.567 -0.445) 1.631 19.064 ( -1.652 0.947 0.049) 1.905 20.654 ( -0.949 -3.569 0.189) 3.698 ======================= Grid point 3 (4/294) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 16.754 12.314 -0.912) 20.813 1.315 ( 18.222 4.210 10.038) 21.225 1.616 ( 15.584 14.874 14.972) 26.235 2.721 ( 0.558 -1.858 -0.996) 2.180 2.870 ( 2.683 3.399 2.329) 4.917 3.696 ( -7.060 -4.262 -1.628) 8.406 5.032 ( 1.107 -1.428 -1.848) 2.584 5.327 ( 3.687 4.116 5.436) 7.751 5.803 ( 0.078 -1.437 1.482) 2.066 7.123 ( 6.685 7.647 -0.737) 10.183 7.309 ( 4.428 -0.616 7.521) 8.749 7.751 ( -5.896 -3.365 -5.535) 8.759 7.997 ( -2.784 -4.786 1.749) 5.807 8.173 ( 0.207 -2.478 0.351) 2.511 8.605 ( -2.962 13.315 3.562) 14.098 9.415 ( -1.669 -12.433 -3.687) 13.075 9.517 ( -0.868 -5.104 -2.376) 5.697 11.342 ( -7.316 2.680 -3.363) 8.486 16.804 ( 3.976 2.154 -2.192) 5.025 16.906 ( 3.086 4.211 6.153) 8.070 18.974 ( -1.681 1.000 -2.186) 2.933 19.006 ( -1.465 -2.914 1.166) 3.464 19.060 ( -0.322 1.299 -1.269) 1.844 20.603 ( -0.760 -3.991 -0.304) 4.074 ======================= Grid point 4 (5/294) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 10.684 8.293 4.549) 14.269 1.678 ( 16.805 2.606 3.876) 17.442 2.072 ( 12.807 15.413 11.266) 22.989 2.705 ( 1.063 -1.946 -1.958) 2.958 2.967 ( 2.983 3.796 2.301) 5.348 3.505 ( -9.165 -5.994 -2.101) 11.151 5.013 ( 0.063 -2.033 -1.875) 2.766 5.445 ( 2.254 3.247 5.610) 6.863 5.814 ( 1.583 -1.199 1.418) 2.440 7.297 ( 3.363 9.895 -0.730) 10.476 7.409 ( 4.715 -0.311 2.720) 5.453 7.610 ( -3.048 -2.893 -5.427) 6.864 7.963 ( 1.495 -3.102 4.181) 5.416 8.145 ( 0.170 -5.694 1.821) 5.980 8.705 ( -5.400 16.948 5.844) 18.722 9.240 ( -3.014 -11.227 -3.644) 12.182 9.416 ( 0.026 -10.084 -5.538) 11.505 11.229 ( -7.002 2.610 -2.774) 7.971 16.872 ( 3.401 2.018 -2.018) 4.440 17.029 ( 2.816 3.621 5.553) 7.203 18.936 ( -2.636 0.480 -0.533) 2.732 18.969 ( -0.485 -2.052 -0.500) 2.167 19.057 ( -0.339 0.715 -1.195) 1.433 20.555 ( -0.463 -3.389 -0.320) 3.435 ======================= Grid point 5 (6/294) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 5.633 3.554 3.608) 7.575 1.939 ( 9.957 2.172 1.619) 10.319 2.417 ( 5.863 9.319 7.293) 13.206 2.733 ( 6.406 2.289 -2.096) 7.118 3.052 ( 1.967 2.593 1.466) 3.569 3.265 ( -10.804 -7.680 -2.248) 13.444 4.982 ( -0.305 -1.521 -1.137) 1.924 5.524 ( 0.991 1.739 3.718) 4.223 5.841 ( 1.595 -0.614 0.853) 1.910 7.330 ( -3.765 2.020 0.402) 4.292 7.538 ( 0.932 0.390 0.212) 1.032 7.548 ( 5.865 4.203 -6.118) 9.460 8.019 ( 1.663 1.259 2.742) 3.445 8.100 ( 1.430 -9.201 4.565) 10.370 8.825 ( -6.273 18.798 9.687) 22.058 9.082 ( 0.037 -9.009 -7.242) 11.559 9.268 ( -0.731 -12.198 -5.308) 13.323 11.141 ( -4.333 1.659 -1.535) 4.887 16.922 ( 1.945 1.235 -1.219) 2.607 17.122 ( 1.707 2.087 3.331) 4.285 18.900 ( -1.758 0.032 0.151) 1.764 18.945 ( -0.188 -0.947 -0.884) 1.309 19.050 ( -0.259 0.271 -0.716) 0.808 20.523 ( -0.191 -1.928 -0.168) 1.945 ======================= Grid point 6 (7/294) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.505 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 3.035 ( 0.000 0.000 0.000) 0.000 3.088 ( 0.000 0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 5.552 ( 0.000 0.000 0.000) 0.000 5.855 ( 0.000 -0.000 0.000) 0.000 7.302 ( 0.000 0.000 0.000) 0.000 7.522 ( 0.000 0.000 -0.000) 0.000 7.637 ( 0.000 0.000 0.000) 0.000 8.025 ( 0.000 0.000 -0.000) 0.000 8.102 ( 0.000 -0.000 0.000) 0.000 8.929 ( 0.000 0.000 0.000) 0.000 9.005 ( 0.000 0.000 -0.000) 0.000 9.158 ( 0.000 0.000 0.000) 0.000 11.108 ( 0.000 0.000 0.000) 0.000 16.940 ( 0.000 0.000 0.000) 0.000 17.157 ( 0.000 0.000 0.000) 0.000 18.886 ( 0.000 0.000 -0.000) 0.000 18.936 ( 0.000 0.000 0.000) 0.000 19.047 ( 0.000 0.000 0.000) 0.000 20.512 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/294) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( -3.175 11.968 8.183) 14.842 0.407 ( 4.110 13.276 12.682) 18.814 0.846 ( -0.335 26.765 25.915) 37.256 2.747 ( -1.173 0.703 0.624) 1.503 2.755 ( 0.882 1.085 1.207) 1.847 3.914 ( 0.018 -2.830 -0.976) 2.993 5.024 ( -2.905 2.079 1.609) 3.918 5.060 ( 3.046 4.044 -0.008) 5.063 5.843 ( -0.128 -1.633 0.818) 1.831 6.918 ( 1.142 -7.046 11.863) 13.845 7.136 ( -3.047 -0.921 0.330) 3.201 8.107 ( -1.382 -6.740 -0.075) 6.881 8.158 ( -0.640 -3.669 -1.223) 3.920 8.208 ( -0.496 -0.097 0.261) 0.569 8.328 ( 7.468 -0.788 -0.850) 7.557 9.615 ( -7.648 3.159 0.676) 8.302 9.723 ( 0.437 3.609 0.781) 3.718 11.465 ( 4.029 -3.654 -5.202) 7.527 16.666 ( 0.040 0.128 -0.494) 0.512 16.736 ( 1.416 4.611 3.882) 6.192 19.015 ( 0.011 -0.067 -0.137) 0.153 19.058 ( 0.978 1.473 0.129) 1.773 19.097 ( -0.005 1.643 -1.273) 2.079 20.671 ( -2.304 -5.845 0.193) 6.285 ======================= Grid point 15 (9/294) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 16.372 15.136 -2.333) 22.418 0.787 ( 16.042 6.253 17.404) 24.482 1.281 ( 4.648 25.032 23.219) 34.457 2.733 ( -1.455 0.283 0.482) 1.558 2.801 ( 1.645 2.286 2.060) 3.489 3.854 ( -2.540 -4.021 -1.392) 4.956 5.018 ( -0.973 1.883 0.237) 2.133 5.181 ( 4.899 4.351 3.538) 7.446 5.820 ( -0.793 -2.568 0.733) 2.786 6.958 ( 2.339 -0.755 6.210) 6.679 7.132 ( 4.544 -2.569 0.104) 5.221 8.004 ( -7.018 -1.541 -4.419) 8.435 8.067 ( -0.434 -7.258 0.133) 7.272 8.168 ( -2.117 -2.059 0.699) 3.035 8.487 ( 11.666 -1.864 -2.731) 12.126 9.459 ( -10.984 2.468 -3.498) 11.789 9.740 ( -4.206 2.218 5.489) 7.262 11.464 ( 1.706 -2.837 -4.149) 5.308 16.684 ( 2.364 0.262 -0.673) 2.472 16.850 ( 1.599 7.074 6.160) 9.515 19.009 ( -0.540 0.352 -0.764) 1.000 19.067 ( -1.890 1.519 1.218) 2.713 19.097 ( -1.141 1.174 -0.243) 1.655 20.582 ( 0.502 -7.480 -3.053) 8.094 ======================= Grid point 16 (10/294) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 19.672 12.834 -2.235) 23.594 1.202 ( 15.609 5.210 14.970) 22.246 1.730 ( 7.121 21.997 19.532) 30.267 2.712 ( -1.347 -0.180 0.004) 1.359 2.876 ( 2.503 3.307 2.872) 5.045 3.738 ( -5.102 -5.465 -1.999) 7.739 5.019 ( -0.775 0.975 -0.496) 1.341 5.331 ( 4.894 4.132 5.359) 8.351 5.784 ( -0.318 -3.729 0.826) 3.832 7.060 ( 6.029 4.266 -0.767) 7.425 7.229 ( 8.709 -2.709 4.010) 9.963 7.820 ( -8.922 -2.153 -5.525) 10.713 7.996 ( -1.625 -5.857 1.382) 6.234 8.122 ( 0.041 -4.319 -0.382) 4.336 8.612 ( 11.244 -5.595 -6.908) 14.334 9.301 ( -9.260 3.982 -2.333) 10.346 9.693 ( -8.440 0.986 7.560) 11.374 11.410 ( -2.548 -1.351 -4.218) 5.110 16.736 ( 4.062 0.490 -0.895) 4.188 16.983 ( 0.671 8.132 7.298) 10.947 18.995 ( -1.091 1.068 -1.554) 2.178 19.044 ( -3.198 -0.754 3.666) 4.924 19.084 ( -1.583 2.345 -1.826) 3.368 20.511 ( 2.533 -8.223 -4.147) 9.551 ======================= Grid point 17 (11/294) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 18.559 9.540 0.133) 20.868 1.557 ( 11.703 5.748 11.117) 17.135 2.150 ( 7.989 18.469 15.074) 25.142 2.684 ( -1.440 -0.646 -0.863) 1.799 2.972 ( 2.785 3.653 3.085) 5.534 3.562 ( -7.421 -7.252 -2.635) 10.705 5.004 ( -1.159 0.242 -0.812) 1.436 5.470 ( 3.285 3.378 5.862) 7.521 5.757 ( 1.664 -4.960 0.754) 5.286 7.219 ( 9.431 7.098 -6.252) 13.357 7.390 ( 7.519 -0.166 6.408) 9.880 7.624 ( -7.646 -2.760 -5.655) 9.902 7.934 ( -0.590 -4.991 2.933) 5.819 8.079 ( 1.120 -6.382 -0.915) 6.543 8.646 ( 11.924 -14.402 -13.774) 23.223 9.232 ( -8.861 12.975 3.622) 16.124 9.577 ( -11.790 -1.163 8.627) 14.656 11.312 ( -4.748 -0.827 -4.472) 6.574 16.808 ( 4.635 0.679 -0.869) 4.764 17.102 ( -0.526 7.294 6.795) 9.983 18.975 ( -1.706 1.496 -1.720) 2.848 19.002 ( -3.512 -1.166 4.560) 5.873 19.067 ( -1.304 1.983 -2.731) 3.618 20.462 ( 3.678 -7.638 -3.939) 9.348 ======================= Grid point 18 (12/294) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 13.299 3.100 4.928) 14.517 1.817 ( 6.692 8.583 4.444) 11.756 2.504 ( 5.043 14.357 10.632) 18.563 2.652 ( 1.562 -0.625 -2.709) 3.189 3.059 ( 1.792 2.629 2.385) 3.977 3.334 ( -9.235 -8.911 -2.665) 13.107 4.983 ( -1.057 0.497 -0.417) 1.240 5.557 ( 0.274 1.845 4.402) 4.781 5.759 ( 4.308 -5.568 0.179) 7.042 7.395 ( 6.653 1.941 -7.340) 10.095 7.454 ( -2.769 5.954 -1.440) 6.722 7.528 ( 1.840 -0.055 -0.195) 1.852 7.949 ( 5.721 -6.417 5.512) 10.212 8.028 ( 1.153 -5.951 -1.135) 6.167 8.577 ( 11.624 -18.912 -17.509) 28.273 9.295 ( -7.230 21.303 3.328) 22.741 9.405 ( -13.644 -4.215 14.006) 20.002 11.196 ( -4.546 -1.484 -4.297) 6.429 16.881 ( 3.811 0.610 -0.224) 3.866 17.177 ( -1.779 4.907 4.465) 6.869 18.942 ( -2.675 -0.224 0.934) 2.842 18.977 ( -2.547 1.980 2.145) 3.874 19.049 ( -0.534 0.777 -2.433) 2.610 20.440 ( 4.317 -6.094 -3.367) 8.192 ======================= Grid point 19 (13/294) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 0.150 2.862 3.236) 4.323 2.014 ( 5.030 3.295 2.513) 6.516 2.551 ( -4.435 1.426 -1.335) 4.846 2.848 ( 10.091 7.560 2.931) 12.945 3.077 ( -7.381 -7.364 -2.233) 10.663 3.100 ( -1.879 -0.726 2.084) 2.898 4.982 ( -0.392 1.898 0.561) 2.017 5.567 ( -1.643 -0.451 0.822) 1.892 5.784 ( 4.710 -5.226 -0.678) 7.068 7.333 ( -2.760 -1.255 -0.432) 3.062 7.530 ( -1.332 1.217 -1.230) 2.184 7.584 ( 5.937 4.110 -5.148) 8.868 7.957 ( 3.541 -8.019 -0.993) 8.822 8.083 ( 5.119 1.652 2.600) 5.974 8.483 ( 11.206 -17.502 -16.927) 26.803 9.197 ( -9.851 -2.604 1.657) 10.323 9.467 ( -7.432 20.829 17.779) 28.376 11.096 ( -1.808 -3.159 -3.502) 5.051 16.934 ( 1.715 0.049 1.204) 2.096 17.188 ( -2.815 2.024 0.733) 3.543 18.906 ( -2.034 -0.374 1.281) 2.432 18.979 ( -2.233 3.676 2.232) 4.846 19.038 ( 0.346 -0.038 -1.521) 1.560 20.445 ( 4.586 -4.158 -2.979) 6.870 ======================= Grid point 20 (14/294) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -6.861 -0.578 -1.422) 7.030 2.038 ( -4.427 -0.450 -0.065) 4.450 2.438 ( -8.005 -3.778 -3.892) 9.669 2.827 ( -6.974 -3.752 1.788) 8.118 3.059 ( -2.079 -2.334 0.126) 3.128 3.161 ( 10.843 6.237 1.310) 12.577 5.013 ( 0.036 3.535 1.699) 3.922 5.514 ( -2.385 -2.060 -2.967) 4.329 5.797 ( 3.421 -4.829 -1.621) 6.136 7.297 ( -1.099 -1.424 0.101) 1.802 7.523 ( 1.322 0.403 -1.174) 1.814 7.599 ( -1.510 -3.884 0.602) 4.210 7.969 ( 3.682 -1.761 -2.303) 4.686 8.165 ( -0.151 6.200 -3.356) 7.052 8.414 ( 11.048 -14.737 -13.525) 22.851 9.080 ( -1.392 -3.553 2.248) 4.428 9.656 ( -7.853 21.970 16.663) 28.671 11.048 ( 2.933 -5.080 -1.909) 6.169 16.948 ( -1.010 -1.162 3.056) 3.422 17.136 ( -3.569 0.014 -3.100) 4.728 18.889 ( -0.379 -0.286 0.937) 1.050 18.997 ( -1.947 3.893 2.574) 5.057 19.042 ( 0.607 0.311 -0.110) 0.691 20.472 ( 4.655 -2.340 -2.929) 5.977 ======================= Grid point 21 (15/294) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -11.630 -7.538 -5.573) 14.938 1.881 ( -12.296 -0.164 -4.483) 13.088 2.157 ( -15.966 -8.428 -1.567) 18.122 2.765 ( -2.410 1.653 2.174) 3.643 2.974 ( -3.659 -3.710 -0.955) 5.298 3.402 ( 10.894 4.795 0.974) 11.942 5.061 ( -0.470 4.171 2.488) 4.880 5.422 ( -2.693 -3.022 -5.015) 6.445 5.788 ( 2.172 -3.807 -2.174) 4.893 7.234 ( -1.817 -5.604 -3.201) 6.705 7.512 ( -6.081 0.200 -0.167) 6.086 7.592 ( 5.035 -0.349 4.625) 6.846 7.971 ( -0.189 0.461 -3.611) 3.645 8.150 ( 0.111 -2.538 -3.805) 4.575 8.425 ( 8.362 -3.704 -7.875) 12.069 9.113 ( 7.346 -2.041 -0.922) 7.680 9.803 ( -9.851 19.403 13.775) 25.755 11.080 ( 7.638 -5.664 0.778) 9.541 16.916 ( -3.240 -2.857 4.029) 5.907 17.044 ( -4.296 -0.327 -5.046) 6.635 18.900 ( 1.468 -0.319 0.744) 1.676 19.015 ( -0.962 2.284 1.510) 2.902 19.060 ( -0.453 2.039 1.886) 2.814 20.514 ( 4.658 -1.018 -3.156) 5.718 ======================= Grid point 22 (16/294) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -14.115 -12.690 -8.427) 20.768 1.593 ( -18.728 -0.481 -5.516) 19.529 1.783 ( -20.727 -6.097 0.162) 21.606 2.764 ( -1.491 1.735 0.956) 2.479 2.877 ( -3.359 -2.802 -1.020) 4.491 3.607 ( 9.120 3.053 0.803) 9.651 5.094 ( -1.853 3.270 2.183) 4.346 5.315 ( -3.150 -3.320 -4.459) 6.390 5.778 ( 1.846 -2.094 -2.171) 3.536 7.111 ( -2.948 -6.780 -3.330) 8.109 7.387 ( -8.609 1.468 -3.562) 9.432 7.725 ( 5.987 1.652 5.648) 8.394 7.977 ( 2.389 2.791 -2.379) 4.377 8.108 ( 3.517 -8.898 -1.480) 9.682 8.478 ( 2.294 1.985 -2.388) 3.860 9.239 ( 11.056 -0.492 -4.729) 12.035 9.860 ( -10.553 13.595 8.593) 19.236 11.190 ( 9.417 -4.090 3.798) 10.947 16.844 ( -3.937 -3.745 2.475) 5.971 16.939 ( -5.243 0.162 -3.334) 6.215 18.937 ( 2.637 -0.411 0.876) 2.809 19.026 ( -0.017 0.723 0.308) 0.787 19.083 ( -1.690 3.128 2.873) 4.571 20.563 ( 4.568 -0.412 -3.536) 5.792 ======================= Grid point 23 (17/294) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -15.864 -12.098 -6.826) 21.086 1.216 ( -22.812 -0.881 -4.115) 23.197 1.375 ( -24.614 -2.777 -0.181) 24.771 2.752 ( -0.920 -0.195 -0.541) 1.085 2.811 ( -2.702 -0.220 0.051) 2.711 3.763 ( 6.962 1.471 0.500) 7.134 5.084 ( -2.876 1.325 0.121) 3.169 5.209 ( -4.158 -2.316 -1.469) 4.981 5.787 ( 2.208 -0.566 -1.397) 2.674 6.984 ( -4.274 -3.982 -2.032) 6.185 7.245 ( -6.084 0.839 -4.914) 7.865 7.876 ( 6.071 3.442 3.960) 8.024 8.060 ( 4.678 -0.046 1.806) 5.015 8.081 ( 4.730 -6.522 -3.121) 8.640 8.496 ( -2.831 2.596 2.207) 4.430 9.387 ( 10.896 0.765 -6.471) 12.696 9.827 ( -8.672 5.743 2.696) 10.745 11.337 ( 7.902 -1.574 5.530) 9.772 16.762 ( -3.403 -2.267 0.357) 4.105 16.839 ( -5.687 -0.073 -0.121) 5.688 18.982 ( 2.368 -0.355 1.263) 2.707 19.033 ( 0.752 -0.258 -0.480) 0.929 19.097 ( -2.082 2.871 2.452) 4.311 20.608 ( 4.182 -0.403 -3.789) 5.657 ======================= Grid point 24 (18/294) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -17.244 -1.007 3.458) 17.616 0.807 ( -24.404 2.344 -5.282) 25.078 0.936 ( -27.896 -1.365 3.535) 28.152 2.735 ( -0.025 -0.381 -0.891) 0.969 2.776 ( -2.273 0.389 0.563) 2.374 3.867 ( 4.811 0.008 0.027) 4.811 5.036 ( -2.463 -0.167 -1.877) 3.101 5.129 ( -4.521 0.159 1.988) 4.941 5.816 ( 2.009 -0.070 -0.305) 2.033 6.884 ( -4.744 0.147 0.482) 4.770 7.160 ( -2.109 0.286 -2.507) 3.289 8.025 ( 5.332 2.163 0.618) 5.787 8.073 ( 6.231 -6.088 0.004) 8.711 8.160 ( 3.318 2.394 -0.236) 4.098 8.463 ( -6.280 1.414 5.492) 8.462 9.517 ( 7.606 2.658 -6.613) 10.424 9.730 ( -4.505 -3.112 -1.983) 5.823 11.469 ( 4.861 0.208 4.696) 6.762 16.706 ( -2.394 0.658 -0.251) 2.496 16.755 ( -4.885 -0.714 2.000) 5.326 19.011 ( 0.498 -0.021 0.604) 0.783 19.045 ( 1.299 -0.479 -0.114) 1.389 19.098 ( -0.981 0.610 0.659) 1.330 20.645 ( 3.278 -0.051 -2.757) 4.284 ======================= Grid point 26 (19/294) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -19.311 3.694 15.293) 24.909 0.694 ( -13.308 17.826 -0.294) 22.248 1.270 ( -3.638 22.753 23.593) 32.978 2.759 ( 0.952 1.409 1.228) 2.098 2.782 ( -1.234 1.331 1.406) 2.296 3.854 ( 2.511 -3.957 -1.321) 4.869 5.063 ( 1.765 4.269 0.795) 4.687 5.136 ( -5.774 2.136 3.223) 6.949 5.829 ( 0.333 -1.960 1.090) 2.268 6.923 ( -1.915 -1.183 3.057) 3.797 7.219 ( -5.428 -0.938 4.319) 7.000 7.985 ( 8.122 -4.868 -4.810) 10.621 8.090 ( -1.444 -8.190 2.439) 8.666 8.159 ( 1.555 -2.647 -0.952) 3.214 8.344 ( -5.682 1.196 -5.864) 8.252 9.697 ( 4.785 -0.522 10.136) 11.221 9.729 ( 4.143 10.534 -2.966) 11.702 11.332 ( 0.597 -7.817 -7.661) 10.962 16.684 ( -2.530 -0.082 -0.401) 2.563 16.803 ( -0.509 5.756 4.696) 7.446 19.004 ( 1.507 0.370 -0.223) 1.568 19.046 ( 0.872 1.438 -1.344) 2.153 19.093 ( 1.566 0.092 1.176) 1.961 20.656 ( -1.755 -4.742 -1.333) 5.229 ======================= Grid point 27 (20/294) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -2.277 12.999 8.961) 15.952 0.802 ( 3.228 12.706 12.024) 17.789 1.609 ( 0.895 22.929 21.878) 31.705 2.779 ( -1.957 1.402 1.246) 2.710 2.808 ( 1.621 2.397 2.248) 3.664 3.824 ( -0.062 -5.003 -1.599) 5.253 5.091 ( -3.938 2.991 1.500) 5.168 5.171 ( 3.779 4.702 3.695) 7.074 5.807 ( -0.580 -3.233 0.605) 3.339 6.933 ( 2.480 -2.224 4.512) 5.608 7.111 ( -4.983 -2.242 0.456) 5.483 7.949 ( 2.528 -7.991 -4.517) 9.521 8.036 ( -2.069 -6.247 -2.266) 6.960 8.202 ( 9.699 -4.042 -4.526) 11.441 8.241 ( -4.966 -0.335 -2.568) 5.601 9.714 ( -10.710 6.122 1.053) 12.381 9.825 ( 0.565 2.734 5.568) 6.228 11.308 ( 7.555 -5.313 -5.084) 10.543 16.662 ( 0.109 0.288 -0.771) 0.830 16.928 ( 2.472 8.527 7.147) 11.397 19.012 ( -0.221 -0.080 -0.378) 0.445 19.094 ( 1.843 2.316 -0.062) 2.961 19.117 ( 0.187 0.771 0.839) 1.154 20.517 ( -4.219 -8.175 -3.710) 9.920 ======================= Grid point 28 (21/294) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 10.637 15.281 3.736) 18.990 1.119 ( 12.108 7.837 14.850) 20.702 1.974 ( 3.119 20.805 18.631) 28.102 2.761 ( -2.865 1.804 1.020) 3.536 2.884 ( 2.453 3.180 3.070) 5.055 3.736 ( -2.981 -6.369 -2.080) 7.333 5.070 ( -3.106 2.523 1.057) 4.138 5.312 ( 5.318 3.763 4.629) 7.992 5.760 ( -1.021 -4.331 0.266) 4.458 7.013 ( 4.195 0.306 3.592) 5.531 7.079 ( 5.383 -2.215 -1.018) 5.909 7.866 ( -3.845 -5.441 -7.588) 10.098 7.912 ( 1.786 -8.841 -3.881) 9.819 8.138 ( -4.181 -3.396 -1.265) 5.532 8.271 ( 9.222 -8.414 -6.355) 14.009 9.589 ( -12.672 10.860 0.870) 16.711 9.855 ( -4.334 1.085 7.862) 9.043 11.343 ( 4.269 -3.949 -4.063) 7.094 16.681 ( 2.430 0.440 -0.799) 2.595 17.100 ( 1.543 9.781 8.437) 13.009 19.001 ( -0.348 -0.246 -1.007) 1.093 19.113 ( -1.735 0.015 2.888) 3.369 19.130 ( -1.412 3.542 -0.850) 3.906 20.365 ( -0.067 -9.718 -5.574) 11.203 ======================= Grid point 29 (22/294) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 14.784 12.346 3.467) 19.570 1.483 ( 13.258 6.984 12.200) 19.323 2.311 ( 4.139 16.652 13.948) 22.113 2.735 ( -3.519 2.534 1.095) 4.472 2.979 ( 2.822 3.419 3.121) 5.421 3.581 ( -5.856 -8.146 -2.549) 10.351 5.046 ( -2.888 1.803 0.474) 3.438 5.459 ( 5.437 2.057 4.891) 7.597 5.702 ( -0.702 -5.444 0.570) 5.519 7.101 ( 6.563 4.793 -6.983) 10.715 7.237 ( 12.361 -2.417 6.504) 14.175 7.678 ( -6.571 -5.107 -6.316) 10.448 7.846 ( 5.376 -11.882 -7.714) 15.152 8.030 ( -3.628 -4.285 -0.968) 5.697 8.265 ( 6.407 -10.552 -6.821) 14.104 9.550 ( -8.793 16.637 0.720) 18.832 9.799 ( -9.227 -1.816 11.479) 14.839 11.311 ( -0.818 -3.084 -4.551) 5.558 16.736 ( 4.147 0.520 -0.679) 4.234 17.245 ( -1.352 9.269 8.174) 12.432 18.985 ( -0.255 -0.466 -1.195) 1.307 19.090 ( -3.253 -0.855 4.682) 5.764 19.120 ( -3.435 4.990 -2.049) 6.395 20.272 ( 4.477 -10.030 -6.184) 12.605 ======================= Grid point 30 (23/294) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 14.055 7.166 5.383) 16.669 1.809 ( 9.852 8.875 7.541) 15.255 2.565 ( 4.622 6.809 4.394) 9.329 2.721 ( -4.338 7.546 4.614) 9.851 3.065 ( 2.090 2.256 1.943) 3.638 3.370 ( -7.880 -9.541 -1.970) 12.530 5.022 ( -2.271 1.945 0.417) 3.019 5.576 ( 4.460 -0.062 3.257) 5.523 5.646 ( -0.081 -6.221 1.015) 6.304 7.231 ( 9.240 5.205 -10.564) 14.969 7.455 ( 8.208 -0.135 2.488) 8.578 7.518 ( -1.803 -3.601 -0.115) 4.028 7.769 ( 7.657 -14.109 -11.029) 19.476 7.944 ( -1.314 -3.881 0.722) 4.161 8.218 ( 4.440 -9.573 -5.106) 11.723 9.568 ( -9.491 14.318 -8.251) 19.057 9.712 ( -8.904 1.337 22.643) 24.368 11.211 ( -3.754 -3.363 -5.280) 7.299 16.812 ( 4.851 0.442 -0.258) 4.878 17.319 ( -4.486 6.858 6.064) 10.194 18.968 ( -0.522 -1.031 -0.260) 1.185 19.057 ( -2.868 -0.142 2.818) 4.024 19.097 ( -4.229 5.656 -0.365) 7.072 20.242 ( 7.186 -9.058 -5.816) 12.943 ======================= Grid point 31 (24/294) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 8.601 2.581 5.798) 10.689 2.039 ( 2.846 8.910 3.904) 10.135 2.589 ( -0.884 -1.083 -4.902) 5.097 2.849 ( 2.175 10.241 6.674) 12.416 3.082 ( -2.205 -3.647 -2.303) 4.844 3.159 ( -6.101 -5.537 2.765) 8.691 5.023 ( -1.012 3.378 1.078) 3.687 5.591 ( -0.747 -5.632 0.643) 5.718 5.637 ( 4.001 -3.238 -0.232) 5.152 7.300 ( 2.846 -1.251 -6.474) 7.182 7.449 ( 4.715 -5.377 -4.229) 8.308 7.613 ( -0.394 5.900 1.402) 6.077 7.735 ( 10.302 -6.271 -12.073) 17.065 7.962 ( 7.879 -5.600 3.539) 10.294 8.179 ( 3.464 -6.943 -2.731) 8.226 9.385 ( -14.101 0.605 -2.065) 14.264 9.837 ( -3.615 14.837 17.439) 23.180 11.073 ( -3.832 -5.037 -5.666) 8.495 16.891 ( 4.219 0.069 0.777) 4.291 17.302 ( -6.639 3.603 2.510) 7.960 18.944 ( -1.594 -1.353 1.465) 2.553 19.030 ( -1.165 0.637 -1.554) 2.044 19.097 ( -3.892 6.408 3.721) 8.370 20.258 ( 8.298 -7.431 -5.369) 12.365 ======================= Grid point 32 (25/294) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -4.242 1.399 0.572) 4.503 2.087 ( -2.679 0.536 0.881) 2.871 2.522 ( -4.730 0.381 -2.365) 5.302 2.903 ( -5.574 -4.071 1.209) 7.008 3.043 ( 5.096 3.055 2.328) 6.381 3.103 ( -0.836 -0.315 0.402) 0.980 5.066 ( -0.068 5.147 2.073) 5.549 5.516 ( -2.304 -4.520 -1.899) 5.417 5.653 ( 4.579 -5.848 -2.327) 7.783 7.285 ( 0.812 -2.568 -2.759) 3.856 7.425 ( 5.521 -9.653 -2.108) 11.318 7.617 ( -3.314 3.182 -0.294) 4.603 7.843 ( 8.987 4.392 -8.169) 12.915 8.074 ( 10.544 -7.456 -3.520) 13.385 8.179 ( 2.072 0.349 0.768) 2.237 9.156 ( -10.696 -2.496 -0.223) 10.985 10.038 ( -3.678 17.215 15.652) 23.556 10.941 ( -0.307 -7.640 -5.073) 9.176 16.952 ( 2.113 -0.732 2.759) 3.552 17.212 ( -7.175 1.186 -1.519) 7.430 18.913 ( -1.848 -0.907 1.763) 2.710 19.016 ( 0.190 0.291 -1.879) 1.911 19.129 ( -3.454 6.970 5.014) 9.255 20.301 ( 8.451 -5.641 -5.204) 11.416 ======================= Grid point 33 (26/294) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -13.770 -6.112 -5.019) 15.880 2.019 ( -7.086 1.538 -3.617) 8.103 2.371 ( -13.920 -2.066 4.530) 14.783 2.829 ( -2.631 0.363 1.280) 2.949 3.004 ( -4.020 -3.081 0.488) 5.089 3.262 ( 11.020 3.753 -0.463) 11.650 5.130 ( -0.401 5.446 2.553) 6.028 5.414 ( -3.101 -3.306 -3.998) 6.044 5.659 ( 5.151 -6.154 -2.620) 8.442 7.212 ( -2.435 -4.589 -3.630) 6.338 7.485 ( 8.320 -3.899 3.985) 10.015 7.590 ( -2.859 2.441 -0.961) 3.880 7.934 ( 3.024 -0.298 -1.193) 3.265 8.061 ( 0.526 -8.148 -3.749) 8.984 8.294 ( 7.287 10.005 -6.769) 14.108 9.031 ( -1.069 -3.448 1.133) 3.783 10.180 ( -8.092 13.853 9.967) 18.887 10.897 ( 7.027 -7.371 -0.542) 10.199 16.971 ( -1.671 -2.148 5.898) 6.496 17.090 ( -5.795 0.779 -5.369) 7.938 18.895 ( -0.530 -0.596 1.327) 1.548 19.016 ( 0.644 -0.009 -1.043) 1.226 19.167 ( -3.477 6.374 4.768) 8.686 20.359 ( 8.040 -3.888 -5.187) 10.328 ======================= Grid point 34 (27/294) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -16.372 -6.971 -4.460) 18.345 1.831 ( -14.246 2.628 -7.118) 16.141 2.108 ( -19.876 -2.713 7.851) 21.542 2.800 ( -1.945 -0.572 -0.621) 2.120 2.923 ( -4.028 -0.543 1.173) 4.230 3.467 ( 11.047 1.925 -0.560) 11.227 5.163 ( -1.827 2.344 0.211) 2.979 5.323 ( -2.983 -0.873 -1.641) 3.515 5.678 ( 4.885 -3.790 -2.252) 6.580 7.108 ( -3.880 -2.248 -1.751) 4.814 7.530 ( -7.462 2.433 -1.792) 8.051 7.633 ( 8.943 -2.273 5.486) 10.735 7.949 ( 2.192 -4.551 1.509) 5.272 7.965 ( 0.279 -3.542 -4.126) 5.445 8.468 ( 5.411 10.967 -5.171) 13.277 9.059 ( 6.797 -2.313 -0.526) 7.199 10.136 ( -10.151 3.245 0.209) 10.659 11.028 ( 10.642 -1.556 6.386) 12.509 16.916 ( -5.911 -1.993 3.717) 7.261 16.998 ( -3.396 0.449 -2.563) 4.278 18.904 ( 1.360 -0.464 0.996) 1.748 19.020 ( 0.519 -0.147 -0.552) 0.772 19.188 ( -3.501 4.422 3.405) 6.588 20.424 ( 7.218 -2.174 -4.956) 9.022 ======================= Grid point 35 (28/294) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -17.228 -1.194 1.381) 17.324 1.535 ( -19.553 3.467 -7.832) 21.347 1.782 ( -23.828 -1.817 8.722) 25.439 2.752 ( -1.185 -1.542 -1.716) 2.593 2.876 ( -3.729 1.273 1.625) 4.262 3.640 ( 9.253 0.201 -0.494) 9.268 5.118 ( -2.312 -1.021 -3.480) 4.301 5.279 ( -4.045 1.338 3.064) 5.248 5.720 ( 4.097 -0.739 -1.178) 4.327 7.035 ( -4.311 1.529 1.256) 4.743 7.373 ( -10.696 0.729 -2.382) 10.982 7.786 ( 9.115 -1.872 3.083) 9.803 7.922 ( 2.961 -7.214 0.476) 7.813 8.016 ( 4.716 3.498 -0.958) 5.949 8.588 ( -0.220 6.672 2.500) 7.129 9.182 ( 10.721 1.440 -5.118) 11.967 9.950 ( -8.341 -5.735 -6.030) 11.782 11.240 ( 9.073 1.269 7.945) 12.127 16.827 ( -5.124 0.828 -0.194) 5.194 16.930 ( -4.886 -1.160 2.708) 5.705 18.940 ( 2.742 -0.362 0.947) 2.924 19.022 ( 0.248 -0.236 -0.488) 0.596 19.174 ( -3.211 1.281 1.050) 3.613 20.492 ( 6.076 -0.302 -3.971) 7.265 ======================= Grid point 36 (29/294) ======================= q-point: (-0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -15.161 9.536 10.635) 20.830 1.189 ( -22.256 6.005 -6.881) 24.057 1.417 ( -26.505 -0.350 10.263) 28.425 2.725 ( 0.099 -0.251 -1.380) 1.406 2.835 ( -3.652 0.709 1.442) 3.990 3.763 ( 7.036 -1.391 -0.693) 7.206 5.053 ( -1.829 -0.455 -3.137) 3.659 5.240 ( -5.184 1.555 4.283) 6.902 5.775 ( 2.943 0.462 0.182) 2.984 7.008 ( -5.545 4.867 4.254) 8.517 7.221 ( -6.088 0.468 -0.528) 6.129 7.890 ( 6.204 -6.858 -2.000) 9.462 7.964 ( 6.678 1.459 1.916) 7.099 8.125 ( 4.215 3.289 -0.156) 5.348 8.609 ( -5.312 0.077 7.928) 9.543 9.358 ( 11.138 6.339 -8.276) 15.255 9.714 ( -5.246 -10.358 -6.830) 13.471 11.411 ( 5.907 -0.401 4.491) 7.432 16.770 ( -3.630 3.243 -1.639) 5.137 16.852 ( -5.731 -1.926 5.195) 7.971 18.992 ( 2.768 -0.102 1.021) 2.952 19.018 ( 0.351 -0.502 -0.862) 1.058 19.121 ( -2.575 -1.912 -1.435) 3.514 20.570 ( 4.946 1.651 -1.769) 5.506 ======================= Grid point 38 (30/294) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -16.360 11.831 3.234) 20.447 1.157 ( -22.026 7.946 8.141) 24.790 1.658 ( -4.509 17.248 19.582) 26.482 2.762 ( 1.591 2.202 0.562) 2.774 2.834 ( -2.565 0.959 2.280) 3.563 3.744 ( 4.943 -4.859 -1.576) 7.108 5.077 ( 2.021 4.135 0.165) 4.605 5.277 ( -6.010 1.442 5.090) 8.007 5.814 ( -0.042 -2.050 1.475) 2.526 6.995 ( -6.265 1.006 -1.538) 6.529 7.333 ( -4.689 0.553 5.024) 6.895 7.780 ( 6.522 -4.957 -6.393) 10.391 8.043 ( 0.798 -4.515 0.027) 4.585 8.132 ( -3.661 -7.062 2.165) 8.244 8.397 ( -5.108 -0.742 -6.663) 8.428 9.611 ( 10.538 -2.739 11.071) 15.528 9.737 ( 8.444 15.055 -2.997) 17.519 11.205 ( -1.443 -10.274 -8.058) 13.137 16.737 ( -4.274 -0.107 -0.409) 4.295 16.909 ( -1.856 5.861 5.196) 8.050 18.975 ( 2.208 0.738 -0.650) 2.417 19.042 ( -0.157 -0.334 -0.636) 0.735 19.067 ( 2.704 0.592 1.221) 3.026 20.620 ( -0.141 -3.751 -2.231) 4.366 ======================= Grid point 39 (31/294) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -14.569 7.986 13.612) 21.478 1.044 ( -8.703 16.199 4.262) 18.876 1.919 ( 0.468 18.463 18.395) 26.066 2.813 ( 0.761 1.182 2.844) 3.173 2.836 ( -0.444 3.194 1.010) 3.379 3.745 ( 2.388 -5.674 -1.623) 6.367 5.161 ( 1.490 4.678 0.927) 4.997 5.235 ( -4.219 2.384 5.404) 7.258 5.787 ( -0.570 -3.870 0.665) 3.967 6.927 ( -1.778 0.615 -1.254) 2.261 7.216 ( -9.122 -4.049 2.819) 10.370 7.749 ( 4.374 -11.385 -8.309) 14.757 7.986 ( 0.460 -5.822 1.452) 6.018 8.042 ( 0.093 -5.223 -6.094) 8.026 8.314 ( -3.477 1.884 -3.475) 5.264 9.803 ( 6.030 1.304 6.559) 9.004 9.916 ( -1.608 8.493 2.185) 8.916 11.103 ( 5.940 -6.451 -5.952) 10.598 16.678 ( -2.352 0.136 -0.598) 2.430 17.022 ( 1.920 9.343 7.526) 12.150 19.011 ( -0.002 0.036 -0.234) 0.237 19.062 ( 3.667 1.859 -0.617) 4.158 19.117 ( 1.538 0.716 1.433) 2.221 20.496 ( -5.054 -8.168 -4.440) 10.582 ======================= Grid point 40 (32/294) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -1.487 13.395 9.622) 16.560 1.170 ( 2.009 11.502 10.714) 15.847 2.216 ( 2.328 16.944 15.409) 23.020 2.829 ( -1.519 1.899 1.878) 3.072 2.899 ( 1.735 4.019 2.694) 5.140 3.691 ( -0.647 -6.778 -1.897) 7.068 5.166 ( -4.117 2.590 1.747) 5.168 5.300 ( 3.106 2.942 4.533) 6.233 5.737 ( -0.922 -4.208 -0.398) 4.326 6.943 ( 3.996 -0.348 1.150) 4.172 7.067 ( -4.964 -2.930 0.531) 5.789 7.638 ( 5.287 -15.462 -11.438) 19.946 7.873 ( -4.967 -6.159 -6.423) 10.191 8.005 ( 4.185 -6.395 -3.547) 8.425 8.266 ( -3.576 1.989 0.089) 4.093 9.852 ( -7.299 7.265 -0.098) 10.299 9.951 ( -1.028 2.185 7.421) 7.804 11.172 ( 8.981 -3.685 -2.771) 10.095 16.659 ( 0.189 0.451 -0.760) 0.904 17.216 ( 2.935 11.025 9.216) 14.666 18.995 ( -0.493 -0.856 -1.166) 1.528 19.140 ( 1.717 2.815 -0.507) 3.336 19.148 ( 1.159 0.596 2.123) 2.492 20.285 ( -5.408 -9.997 -5.838) 12.778 ======================= Grid point 41 (33/294) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 7.176 13.659 6.567) 16.768 1.431 ( 9.751 7.646 11.922) 17.196 2.476 ( 2.088 12.637 10.098) 16.310 2.836 ( -2.414 4.348 2.697) 5.657 2.987 ( 2.241 3.685 2.821) 5.153 3.572 ( -4.043 -8.047 -1.930) 9.210 5.129 ( -4.123 1.960 1.408) 4.778 5.403 ( 4.750 -0.610 3.210) 5.765 5.680 ( -1.121 -3.501 0.221) 3.683 7.020 ( 2.389 0.856 -4.795) 5.425 7.073 ( 9.503 -0.625 5.388) 10.942 7.499 ( 7.203 -18.510 -14.332) 24.493 7.675 ( -5.780 -7.194 -7.348) 11.796 7.982 ( 2.029 -5.201 -2.551) 6.138 8.225 ( -3.952 1.062 1.195) 4.263 9.810 ( -7.071 12.120 -2.370) 14.231 9.969 ( -4.727 -0.936 11.049) 12.054 11.232 ( 3.791 -3.289 -2.939) 5.816 16.682 ( 2.495 0.558 -0.712) 2.654 17.405 ( 0.080 10.658 9.217) 14.091 18.970 ( -0.173 -1.272 -1.599) 2.050 19.147 ( -1.778 0.893 1.529) 2.509 19.197 ( -0.098 3.237 0.995) 3.388 20.097 ( -0.561 -10.487 -6.680) 12.446 ======================= Grid point 42 (34/294) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 10.432 9.513 6.556) 15.566 1.750 ( 12.452 7.438 8.632) 16.879 2.605 ( -0.952 4.283 1.446) 4.619 2.887 ( -1.423 8.012 5.350) 9.739 3.062 ( 1.513 2.475 1.290) 3.175 3.396 ( -6.735 -8.284 -0.227) 10.678 5.093 ( -3.304 2.193 1.081) 4.110 5.458 ( 4.481 -6.161 -0.522) 7.636 5.655 ( -0.600 -1.052 3.466) 3.672 7.080 ( 6.884 3.933 -9.355) 12.263 7.287 ( 12.394 -3.819 2.848) 13.278 7.375 ( 9.180 -15.148 -9.051) 19.891 7.492 ( -2.480 -6.078 -6.670) 9.358 7.946 ( -0.046 -3.272 -1.250) 3.503 8.171 ( -3.895 -0.347 1.466) 4.176 9.785 ( -8.511 10.438 -6.998) 15.178 9.956 ( -4.758 1.164 16.973) 17.665 11.192 ( -1.692 -3.724 -4.281) 5.921 16.738 ( 4.237 0.497 -0.489) 4.294 17.508 ( -4.773 8.061 7.245) 11.843 18.949 ( 0.307 -1.517 -1.497) 2.153 19.123 ( -3.135 0.716 1.518) 3.556 19.222 ( -2.567 5.387 2.417) 6.438 19.999 ( 5.558 -10.290 -6.946) 13.602 ======================= Grid point 43 (35/294) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 9.705 4.688 6.911) 12.803 2.055 ( 9.821 8.700 4.743) 13.951 2.562 ( -3.277 -1.880 -4.779) 6.091 2.965 ( -0.212 3.698 2.371) 4.398 3.086 ( -2.125 2.829 0.094) 3.540 3.225 ( -6.565 -5.761 3.886) 9.560 5.088 ( -1.592 3.940 1.365) 4.464 5.442 ( 4.141 -9.163 -1.978) 10.248 5.655 ( -1.786 -0.583 2.478) 3.110 7.147 ( 7.307 -5.344 -9.060) 12.808 7.257 ( 4.591 -8.293 -8.052) 12.437 7.461 ( 9.385 1.112 -10.709) 14.283 7.567 ( 11.915 -0.825 8.501) 14.660 7.904 ( -1.634 -2.052 0.324) 2.643 8.124 ( -1.454 -1.432 1.709) 2.661 9.618 ( -14.322 2.526 -3.452) 14.947 10.069 ( 0.222 8.619 14.035) 16.472 11.063 ( -5.087 -5.224 -5.680) 9.243 16.817 ( 5.060 0.209 0.053) 5.065 17.487 ( -8.786 4.271 3.795) 10.480 18.934 ( 0.582 -1.578 -0.749) 1.841 19.081 ( -3.718 0.859 0.627) 3.867 19.255 ( -3.620 7.678 4.742) 9.723 19.990 ( 9.612 -9.392 -6.832) 15.075 ======================= Grid point 44 (36/294) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 4.836 1.895 4.693) 7.001 2.189 ( -6.222 2.693 -0.488) 6.797 2.504 ( 5.073 0.243 -3.889) 6.397 2.937 ( -3.068 -4.361 0.392) 5.346 3.086 ( -3.431 5.753 3.253) 7.447 3.128 ( -2.980 -2.979 0.977) 4.326 5.133 ( -0.101 5.895 2.115) 6.264 5.413 ( 4.158 -8.792 -1.510) 9.843 5.603 ( -3.158 -1.848 -1.689) 4.030 7.131 ( 7.267 -10.451 -6.297) 14.202 7.254 ( 4.716 -2.956 -0.333) 5.575 7.617 ( 9.515 4.167 -8.913) 13.687 7.757 ( 4.777 8.059 -0.852) 9.407 7.879 ( 2.967 -6.440 3.274) 7.810 8.139 ( 3.166 -0.534 2.745) 4.224 9.358 ( -15.908 -0.321 -2.144) 16.055 10.271 ( 2.407 11.184 13.142) 17.424 10.872 ( -5.390 -8.180 -6.873) 11.967 16.901 ( 4.687 -0.341 1.118) 4.830 17.366 ( -10.316 1.385 0.347) 10.414 18.927 ( 0.137 -1.377 0.419) 1.446 19.033 ( -2.896 0.818 -0.303) 3.025 19.299 ( -4.359 8.101 5.655) 10.798 20.043 ( 11.194 -7.314 -6.266) 14.767 ======================= Grid point 45 (37/294) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -13.835 -3.466 -3.356) 14.652 2.095 ( -2.122 1.595 -0.684) 2.741 2.572 ( -4.496 2.825 4.498) 6.959 2.856 ( -1.552 -3.079 0.560) 3.493 3.044 ( -3.108 -2.526 0.929) 4.111 3.150 ( 4.282 3.560 -1.518) 5.772 5.198 ( -0.367 4.045 1.884) 4.477 5.393 ( 1.118 -2.908 -1.262) 3.361 5.530 ( 0.657 -3.777 -3.193) 4.989 7.126 ( 4.878 -6.014 -2.628) 8.177 7.347 ( 7.589 -1.736 4.204) 8.847 7.649 ( -2.065 1.684 -2.319) 3.533 7.869 ( 2.238 -4.301 2.825) 5.611 7.945 ( 7.342 5.999 -7.428) 12.044 8.242 ( 6.043 4.476 -0.182) 7.523 9.110 ( -11.200 -1.784 -0.301) 11.346 10.444 ( -6.016 7.907 6.003) 11.608 10.718 ( 5.236 -7.946 -1.423) 9.622 16.970 ( 3.018 -1.101 2.788) 4.254 17.203 ( -9.761 0.409 -2.101) 9.993 18.913 ( -1.041 -0.920 1.178) 1.822 19.007 ( -0.595 0.465 -0.751) 1.065 19.322 ( -4.718 5.717 4.159) 8.499 20.134 ( 10.712 -3.977 -4.937) 12.447 ======================= Grid point 46 (38/294) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -15.992 -1.341 -0.942) 16.076 2.011 ( -8.934 2.330 -4.114) 10.108 2.442 ( -16.027 -0.200 8.654) 18.215 2.810 ( -1.763 -2.058 -2.093) 3.424 2.995 ( -2.985 0.652 1.803) 3.547 3.288 ( 10.903 0.872 -2.339) 11.185 5.184 ( -1.833 -2.034 -2.585) 3.765 5.384 ( -2.714 3.140 2.269) 4.730 5.548 ( 5.945 -1.281 -1.656) 6.303 7.139 ( 0.412 -0.065 1.543) 1.598 7.497 ( 8.276 -2.055 5.807) 10.317 7.618 ( -2.026 2.303 -2.279) 3.821 7.848 ( 1.502 -9.576 3.607) 10.343 7.988 ( -2.764 4.173 -4.512) 6.738 8.427 ( 8.782 13.064 -7.196) 17.309 8.992 ( -1.385 -3.011 2.754) 4.309 10.257 ( -10.508 -7.547 -7.359) 14.884 10.904 ( 11.140 2.762 8.973) 14.569 17.007 ( 0.284 -1.920 4.960) 5.327 17.046 ( -8.050 1.154 -3.485) 8.847 18.899 ( -0.439 -0.496 0.982) 1.184 19.007 ( 0.478 0.098 -0.497) 0.697 19.299 ( -4.418 1.655 1.077) 4.839 20.250 ( 8.954 -0.359 -3.138) 9.494 ======================= Grid point 47 (39/294) ======================= q-point: (-0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -15.469 4.380 4.739) 16.761 1.810 ( -14.974 3.525 -5.652) 16.389 2.194 ( -20.670 -0.375 9.693) 22.832 2.746 ( -1.597 -1.478 -2.674) 3.447 2.965 ( -3.846 1.595 2.159) 4.690 3.460 ( 11.409 -1.046 -1.925) 11.618 5.107 ( -1.652 -2.457 -4.451) 5.346 5.381 ( -3.282 1.565 4.747) 5.980 5.645 ( 5.035 2.853 -0.270) 5.793 7.158 ( -3.343 5.233 5.280) 8.151 7.540 ( -9.160 -0.839 -0.086) 9.199 7.626 ( 7.709 -2.935 1.306) 8.352 7.829 ( 3.487 -4.118 1.391) 5.573 7.979 ( 1.836 2.961 -1.266) 3.707 8.637 ( 5.076 10.926 -1.551) 12.147 9.026 ( 6.332 -0.522 -0.192) 6.356 9.944 ( -8.834 -12.714 -10.816) 18.886 11.154 ( 9.622 2.085 7.778) 12.547 16.927 ( -6.017 2.731 -3.763) 7.604 17.003 ( -2.695 -2.418 6.750) 7.660 18.908 ( 1.396 -0.241 0.771) 1.613 19.012 ( 0.365 -0.195 -0.425) 0.593 19.225 ( -3.753 -2.232 -2.059) 4.827 20.376 ( 7.002 2.413 -1.404) 7.538 ======================= Grid point 48 (40/294) ======================= q-point: (-0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -12.640 10.777 10.601) 19.705 1.544 ( -18.618 5.932 -4.968) 20.162 1.895 ( -23.679 0.891 10.762) 26.026 2.711 ( 0.046 0.020 -2.093) 2.093 2.922 ( -4.550 1.078 2.115) 5.132 3.603 ( 9.506 -2.704 -1.668) 10.023 5.046 ( -0.626 -0.845 -3.655) 3.803 5.363 ( -4.363 1.078 5.457) 7.069 5.743 ( 3.038 3.011 0.811) 4.354 7.195 ( -5.147 8.366 6.616) 11.843 7.350 ( -10.063 -1.982 0.524) 10.270 7.713 ( 7.037 -3.615 -3.478) 8.642 7.887 ( 4.843 0.317 2.053) 5.270 8.078 ( 5.415 3.090 0.597) 6.263 8.730 ( -3.478 -1.179 9.815) 10.479 9.185 ( 11.796 8.361 -9.017) 17.040 9.634 ( -4.929 -13.062 -9.745) 17.026 11.323 ( 6.326 -2.011 3.237) 7.385 16.854 ( -4.257 3.876 -3.700) 6.843 16.961 ( -5.021 -2.218 7.668) 9.430 18.947 ( 2.899 -0.117 0.911) 3.041 19.006 ( -0.134 -0.923 -1.123) 1.459 19.124 ( -2.673 -3.506 -3.192) 5.443 20.501 ( 5.508 3.400 -0.192) 6.475 ======================= Grid point 50 (41/294) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -14.688 9.211 3.179) 17.626 1.621 ( -18.293 9.764 6.369) 21.692 1.979 ( -6.693 10.446 14.713) 19.245 2.751 ( 2.591 2.650 -0.341) 3.722 2.912 ( -4.196 0.541 2.470) 4.899 3.584 ( 7.478 -5.573 -1.709) 9.482 5.071 ( 3.309 3.623 0.024) 4.907 5.408 ( -4.937 0.277 5.041) 7.062 5.813 ( -1.089 -2.356 1.559) 3.028 7.119 ( -9.267 1.255 -3.255) 9.902 7.408 ( -1.825 -0.222 -1.367) 2.291 7.623 ( 3.359 -3.065 -4.173) 6.172 8.006 ( 0.164 -1.973 1.102) 2.266 8.171 ( -5.850 -5.696 4.878) 9.511 8.416 ( -6.104 -5.445 -6.469) 10.429 9.453 ( 13.360 -2.955 10.188) 17.059 9.694 ( 12.375 16.260 -3.675) 20.761 11.096 ( -2.778 -10.110 -6.590) 12.384 16.809 ( -4.713 0.110 -0.320) 4.725 17.025 ( -2.096 5.008 4.739) 7.206 18.944 ( 2.103 0.620 0.365) 2.223 19.021 ( 2.307 -0.607 0.914) 2.555 19.048 ( 0.646 0.977 -0.775) 1.404 20.568 ( 0.371 -3.446 -2.826) 4.472 ======================= Grid point 51 (42/294) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -12.969 9.217 9.415) 18.488 1.428 ( -18.786 12.469 4.337) 22.961 2.152 ( 1.253 12.827 13.813) 18.892 2.824 ( 2.116 2.799 1.643) 3.875 2.882 ( -1.718 1.591 1.803) 2.955 3.621 ( 4.915 -6.078 -1.453) 7.951 5.175 ( 3.271 4.868 1.489) 6.051 5.358 ( -4.873 0.311 4.525) 6.657 5.763 ( -1.203 -5.036 0.849) 5.247 6.987 ( -6.032 2.443 -4.602) 7.971 7.311 ( -5.305 -4.824 -3.563) 8.007 7.568 ( -1.301 -9.796 -3.433) 10.461 7.932 ( -1.550 -8.076 0.356) 8.231 8.012 ( -4.848 -3.993 -1.994) 6.590 8.339 ( -0.784 1.276 -4.528) 4.770 9.705 ( 11.615 -0.026 7.517) 13.835 9.990 ( 5.825 11.870 1.946) 13.365 10.940 ( 1.231 -7.482 -5.966) 9.648 16.730 ( -4.296 -0.035 -0.325) 4.309 17.124 ( 1.801 8.805 6.879) 11.317 19.012 ( 1.633 2.495 0.623) 3.046 19.017 ( 1.516 -1.014 -0.405) 1.868 19.100 ( 2.587 1.267 1.104) 3.085 20.463 ( -3.631 -7.897 -5.158) 10.107 ======================= Grid point 52 (43/294) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -11.153 9.574 12.296) 19.163 1.384 ( -6.909 13.795 4.761) 16.147 2.386 ( 3.462 11.532 10.903) 16.244 2.864 ( -0.088 0.986 2.664) 2.841 2.933 ( 1.687 5.085 1.746) 5.635 3.608 ( 1.831 -6.626 -1.374) 7.010 5.248 ( -1.205 2.660 1.358) 3.220 5.330 ( -1.335 0.250 4.450) 4.653 5.704 ( -0.396 -4.256 -0.677) 4.327 6.921 ( -1.292 2.306 -3.702) 4.549 7.135 ( -6.390 -6.349 -1.397) 9.116 7.380 ( -1.642 -15.765 -6.688) 17.203 7.848 ( -2.815 -6.111 -7.213) 9.864 7.905 ( -0.241 -3.540 -0.393) 3.570 8.320 ( -1.209 1.759 -1.609) 2.673 9.896 ( 6.024 1.295 4.339) 7.536 10.084 ( -4.563 6.439 2.138) 8.177 10.972 ( 9.813 -2.485 -1.639) 10.255 16.675 ( -2.220 0.343 -0.502) 2.302 17.319 ( 4.159 11.075 8.938) 14.827 18.987 ( -0.708 -1.347 -1.452) 2.103 19.107 ( 3.806 2.642 0.787) 4.700 19.153 ( 1.438 1.225 1.306) 2.297 20.255 ( -6.410 -10.168 -6.378) 13.607 ======================= Grid point 53 (44/294) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -1.101 11.626 8.851) 14.653 1.484 ( 0.841 9.161 8.402) 12.459 2.586 ( 2.736 7.896 5.869) 10.212 2.897 ( 0.528 2.208 2.285) 3.221 3.021 ( 1.185 5.331 2.800) 6.137 3.541 ( -1.629 -6.489 -0.740) 6.731 5.220 ( -3.964 0.925 1.311) 4.276 5.346 ( 1.640 -3.622 2.002) 4.452 5.669 ( -0.298 -1.123 -0.691) 1.351 6.952 ( 3.902 0.613 -0.335) 3.964 7.014 ( -0.204 -3.456 -1.864) 3.932 7.174 ( 1.273 -15.480 -8.904) 17.903 7.657 ( -6.068 -6.885 -8.070) 12.221 7.892 ( 2.096 -3.552 -1.140) 4.279 8.304 ( -2.550 1.953 0.013) 3.212 9.962 ( -2.148 4.547 -0.158) 5.032 10.083 ( -2.889 2.903 5.862) 7.151 11.101 ( 7.542 -1.811 -0.764) 7.794 16.660 ( 0.221 0.501 -0.552) 0.778 17.544 ( 2.730 11.232 9.391) 14.893 18.952 ( -0.577 -1.575 -1.750) 2.424 19.182 ( -0.126 1.640 0.588) 1.746 19.191 ( 3.341 1.595 1.116) 3.866 20.016 ( -5.585 -10.119 -6.464) 13.243 ======================= Grid point 54 (45/294) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 4.933 9.904 6.392) 12.779 1.683 ( 8.613 5.600 8.329) 13.226 2.670 ( -1.252 3.246 0.049) 3.479 2.939 ( 1.224 0.655 0.200) 1.403 3.103 ( 0.531 5.265 3.240) 6.205 3.437 ( -4.900 -4.286 1.783) 6.750 5.173 ( -3.446 1.093 1.115) 3.783 5.332 ( 2.587 -6.844 -1.690) 7.510 5.669 ( 0.310 -0.051 2.332) 2.353 6.944 ( 4.361 -8.821 -8.376) 12.922 7.029 ( 4.880 -3.170 -6.746) 8.909 7.161 ( 10.004 0.063 4.895) 11.138 7.449 ( -4.836 -7.093 -7.225) 11.221 7.885 ( 1.865 -3.280 -0.956) 3.892 8.268 ( -4.501 1.764 0.933) 4.923 9.945 ( -5.285 6.523 -3.882) 9.250 10.103 ( -2.380 1.038 9.868) 10.204 11.145 ( 1.323 -2.770 -2.236) 3.798 16.684 ( 2.509 0.466 -0.515) 2.603 17.697 ( -2.730 8.645 7.633) 11.851 18.922 ( -0.070 -1.487 -1.657) 2.228 19.182 ( -1.939 0.964 1.198) 2.474 19.271 ( 3.346 3.021 1.322) 4.697 19.828 ( -1.412 -9.135 -6.139) 11.097 ======================= Grid point 55 (46/294) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 7.547 5.473 6.470) 11.348 1.951 ( 12.992 4.876 4.481) 14.583 2.606 ( -6.195 -1.073 -4.215) 7.569 2.942 ( 1.331 -2.171 -2.000) 3.238 3.167 ( -0.498 3.720 1.828) 4.175 3.333 ( -7.218 -0.907 4.628) 8.622 5.157 ( -1.552 3.325 1.094) 3.829 5.292 ( 2.829 -7.457 -2.490) 8.355 5.685 ( -0.684 -1.060 2.949) 3.207 6.881 ( 6.826 -11.515 -6.597) 14.923 7.107 ( 6.935 6.589 -10.209) 13.990 7.294 ( 3.350 -7.807 -2.084) 8.748 7.416 ( 11.225 1.981 5.418) 12.621 7.881 ( 1.507 -2.554 -0.261) 2.977 8.206 ( -5.605 1.483 1.503) 5.990 9.835 ( -11.234 3.286 -3.633) 12.256 10.177 ( 1.740 3.650 9.610) 10.426 11.066 ( -4.332 -4.279 -4.098) 7.340 16.741 ( 4.291 0.252 -0.326) 4.311 17.697 ( -8.787 4.078 3.990) 10.477 18.905 ( 0.562 -1.093 -1.134) 1.672 19.153 ( -3.367 0.624 1.093) 3.594 19.382 ( 1.978 7.200 4.430) 8.682 19.727 ( 4.632 -9.447 -6.763) 12.508 ======================= Grid point 56 (47/294) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 6.903 1.678 5.617) 9.057 2.228 ( 11.267 5.261 1.692) 12.549 2.424 ( -6.947 -3.980 -6.390) 10.244 2.931 ( 0.250 -1.522 -0.488) 1.617 3.150 ( -2.999 -3.492 0.445) 4.625 3.251 ( -7.250 4.044 2.913) 8.798 5.198 ( 0.092 4.896 1.959) 5.274 5.269 ( 3.704 -5.049 -1.602) 6.463 5.641 ( -3.957 -2.364 -0.081) 4.610 6.882 ( 8.031 -8.065 -2.568) 11.668 7.167 ( 3.427 -0.938 -1.631) 3.909 7.403 ( 13.902 6.037 -10.547) 18.465 7.649 ( 10.334 -1.407 7.454) 12.819 7.887 ( 0.692 0.339 0.589) 0.970 8.149 ( -3.325 0.922 2.082) 4.030 9.611 ( -15.891 1.116 -2.911) 16.194 10.338 ( 5.976 4.862 8.786) 11.685 10.881 ( -8.388 -6.366 -5.798) 12.021 16.819 ( 5.239 -0.131 0.138) 5.242 17.560 ( -11.577 0.478 0.560) 11.600 18.905 ( 0.924 -0.557 -0.401) 1.151 19.102 ( -4.063 0.288 0.861) 4.164 19.478 ( -4.212 7.518 5.243) 10.088 19.743 ( 12.497 -6.791 -5.749) 15.341 ======================= Grid point 57 (48/294) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -0.090 -1.777 2.577) 3.132 2.165 ( -10.198 1.037 -2.814) 10.630 2.528 ( 13.584 2.782 -1.004) 13.903 2.891 ( -4.762 -3.143 3.111) 6.499 3.054 ( -2.180 -3.976 -0.748) 4.596 3.195 ( -5.068 3.893 -1.199) 6.502 5.223 ( -0.180 -2.675 2.345) 3.562 5.336 ( 4.643 5.716 -1.286) 7.476 5.533 ( -4.798 -2.339 -1.586) 5.568 6.956 ( 8.375 -3.896 1.196) 9.314 7.244 ( 6.851 -1.200 3.326) 7.710 7.599 ( 7.920 4.583 -7.706) 11.963 7.774 ( 4.821 -5.477 2.980) 7.881 7.942 ( 1.323 9.751 -1.052) 9.896 8.177 ( 4.676 0.579 2.876) 5.520 9.330 ( -16.646 0.145 -1.976) 16.764 10.556 ( 9.203 0.225 5.528) 10.738 10.617 ( -10.692 -4.607 -4.515) 12.487 16.904 ( 5.068 -0.585 0.815) 5.166 17.365 ( -11.229 -0.838 -1.189) 11.323 18.915 ( 0.518 -0.143 0.206) 0.575 19.045 ( -3.405 -0.013 0.627) 3.463 19.449 ( -4.518 0.118 -0.174) 4.523 19.911 ( 11.764 1.571 -0.300) 11.872 ======================= Grid point 58 (49/294) ======================= q-point: (-0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -13.421 0.568 1.029) 13.472 2.107 ( -3.363 1.069 -1.872) 3.994 2.696 ( -4.153 2.967 5.941) 7.832 2.772 ( -0.440 -5.316 -1.128) 5.452 3.023 ( 0.803 -0.086 -0.435) 0.917 3.163 ( 0.992 1.016 -3.277) 3.572 5.175 ( -2.461 -3.573 -1.263) 4.519 5.446 ( 1.822 -1.595 -0.707) 2.523 5.488 ( 0.967 8.611 2.109) 8.918 7.088 ( 7.424 0.463 4.333) 8.608 7.395 ( 8.454 -0.350 5.825) 10.273 7.634 ( -0.473 0.424 -2.810) 2.881 7.773 ( 0.777 -6.117 2.771) 6.760 8.046 ( -0.333 7.796 -3.068) 8.385 8.344 ( 10.299 8.986 -3.478) 14.104 9.089 ( -11.080 -1.093 1.281) 11.207 10.274 ( -10.969 -13.160 -9.819) 19.747 10.820 ( 10.172 4.509 8.205) 13.825 16.974 ( 3.459 -0.736 0.643) 3.595 17.185 ( -9.112 -0.611 -0.283) 9.137 18.914 ( -0.846 0.004 0.437) 0.953 19.009 ( -1.070 -0.160 0.375) 1.145 19.352 ( -3.664 -3.873 -3.604) 6.435 20.117 ( 8.824 5.031 1.922) 10.338 ======================= Grid point 59 (50/294) ======================= q-point: (-0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -12.624 4.549 4.671) 14.209 2.004 ( -8.864 2.000 -3.479) 9.730 2.537 ( -14.749 -2.404 8.759) 17.322 2.753 ( -2.421 1.694 -3.791) 4.807 3.039 ( -1.348 1.124 1.690) 2.436 3.238 ( 11.019 -2.099 -3.651) 11.797 5.084 ( -2.241 -2.971 -3.751) 5.284 5.451 ( -0.720 -0.612 4.887) 4.978 5.629 ( 3.435 8.562 0.494) 9.239 7.242 ( 4.444 3.631 6.644) 8.779 7.529 ( 2.869 -1.032 3.777) 4.854 7.619 ( -0.371 -0.551 -0.252) 0.711 7.753 ( 2.241 -2.628 2.840) 4.471 8.024 ( -4.656 3.321 -1.947) 6.042 8.603 ( 10.607 14.969 -7.313) 19.749 8.986 ( -1.876 -2.969 5.273) 6.336 9.895 ( -10.700 -15.561 -11.861) 22.301 11.059 ( 9.556 1.745 6.100) 11.470 16.986 ( -1.579 1.081 -4.753) 5.124 17.081 ( -4.267 -1.277 6.758) 8.094 18.903 ( -0.407 0.073 0.326) 0.527 19.003 ( 0.087 -0.451 0.035) 0.460 19.223 ( -3.124 -5.533 -5.196) 8.209 20.306 ( 6.479 5.736 2.261) 8.944 ======================= Grid point 60 (51/294) ======================= q-point: (-0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -9.822 7.930 8.250) 15.080 1.830 ( -13.281 4.723 -3.213) 14.457 2.312 ( -18.415 0.046 9.493) 20.718 2.708 ( -1.556 1.642 -3.311) 4.009 3.017 ( -3.788 1.058 1.996) 4.410 3.385 ( 11.836 -3.819 -2.634) 12.712 5.019 ( -0.318 -1.334 -3.404) 3.670 5.459 ( -2.352 0.161 5.865) 6.322 5.749 ( 2.123 6.034 0.900) 6.460 7.354 ( 0.295 2.477 6.759) 7.205 7.496 ( -9.058 -1.703 0.989) 9.270 7.584 ( 2.405 0.385 -3.750) 4.471 7.857 ( 3.664 4.375 3.933) 6.931 8.024 ( 3.611 1.761 1.011) 4.143 8.813 ( 1.179 2.227 8.121) 8.503 9.039 ( 8.130 6.413 -6.331) 12.137 9.524 ( -6.325 -14.764 -12.003) 20.051 11.214 ( 6.309 -2.497 2.228) 7.142 16.924 ( -3.448 2.520 -4.415) 6.143 17.061 ( -3.484 -1.346 7.638) 8.502 18.914 ( 1.506 -0.028 0.451) 1.572 18.990 ( -0.400 -1.711 -1.381) 2.235 19.104 ( -1.814 -3.753 -3.788) 5.632 20.458 ( 4.805 4.495 1.458) 6.740 ======================= Grid point 62 (52/294) ======================= q-point: ( 0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -9.706 6.547 2.457) 11.963 1.953 ( -6.231 8.839 5.123) 11.967 2.281 ( -13.000 4.615 9.643) 16.831 2.732 ( 1.760 3.227 -1.551) 3.989 3.001 ( -4.382 0.230 1.873) 4.771 3.378 ( 9.961 -5.973 -1.523) 11.714 5.042 ( 4.021 2.901 0.507) 4.984 5.496 ( -3.263 -0.790 2.568) 4.227 5.820 ( -1.864 -3.401 1.248) 4.074 7.247 ( -6.311 -1.588 -1.547) 6.689 7.403 ( -5.400 1.105 -10.283) 11.667 7.562 ( 1.713 -0.169 -0.075) 1.723 7.998 ( -1.116 -3.498 0.011) 3.672 8.236 ( 1.248 1.505 3.049) 3.622 8.459 ( -14.506 -12.918 0.360) 19.427 9.261 ( 13.325 -1.796 6.556) 14.959 9.599 ( 15.418 15.925 -2.207) 22.276 11.035 ( -4.069 -7.218 -4.400) 9.382 16.882 ( -3.811 0.302 0.256) 3.832 17.118 ( -1.283 3.418 2.759) 4.577 18.925 ( 1.997 0.496 2.536) 3.266 18.982 ( 2.630 1.237 -0.622) 2.972 19.045 ( 0.037 0.276 -0.199) 0.342 20.513 ( -0.202 -3.720 -3.164) 4.888 ======================= Grid point 63 (53/294) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -10.386 9.499 4.229) 14.696 1.870 ( -17.600 8.918 5.902) 20.594 2.290 ( 0.391 6.097 9.013) 10.889 2.812 ( 3.867 4.177 0.103) 5.693 2.947 ( -3.633 0.327 1.967) 4.144 3.456 ( 7.462 -6.075 -0.905) 9.664 5.162 ( 4.981 4.531 1.781) 6.965 5.439 ( -3.613 -1.885 1.677) 4.407 5.744 ( -2.224 -6.350 1.055) 6.810 7.105 ( -8.513 2.621 -4.784) 10.110 7.250 ( -2.947 -5.891 -11.776) 13.493 7.560 ( -2.529 -2.762 1.270) 3.955 7.894 ( -3.580 -9.430 -0.321) 10.092 8.108 ( -11.589 -5.179 3.296) 13.114 8.308 ( 1.575 -0.174 -4.717) 4.976 9.527 ( 14.883 -0.486 5.996) 16.053 9.977 ( 12.069 13.988 2.610) 18.658 10.861 ( -3.953 -6.733 -4.729) 9.128 16.807 ( -5.154 -0.031 0.020) 5.154 17.200 ( 2.669 6.891 5.009) 8.927 18.980 ( 1.752 -1.177 1.209) 2.432 19.027 ( 1.150 4.294 -0.243) 4.452 19.074 ( 2.433 0.839 1.906) 3.203 20.406 ( -2.844 -7.900 -5.727) 10.164 ======================= Grid point 64 (54/294) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -10.081 8.792 7.967) 15.569 1.705 ( -16.010 10.960 4.309) 19.875 2.445 ( 5.174 4.930 6.157) 9.433 2.898 ( -0.515 1.858 2.692) 3.312 2.948 ( 2.650 4.200 0.711) 5.017 3.493 ( 4.470 -5.746 -0.338) 7.288 5.276 ( 1.981 3.090 1.453) 3.947 5.371 ( -2.660 -3.590 1.548) 4.729 5.667 ( -0.448 -4.506 0.080) 4.529 6.982 ( -6.029 4.453 -6.553) 9.956 7.060 ( -2.191 -9.794 -10.631) 14.620 7.393 ( -11.427 -10.767 5.441) 16.616 7.780 ( -0.669 -5.691 -2.815) 6.384 7.933 ( -6.685 -2.170 -2.510) 7.463 8.314 ( 1.585 0.397 -2.477) 2.967 9.780 ( 12.003 0.218 4.204) 12.720 10.205 ( -0.186 7.857 2.089) 8.132 10.807 ( 6.318 -1.929 -1.134) 6.702 16.729 ( -4.226 0.247 -0.200) 4.238 17.386 ( 5.813 9.296 7.224) 13.130 18.969 ( -0.070 -1.998 -1.387) 2.433 19.106 ( 1.523 5.340 1.141) 5.669 19.138 ( 2.478 0.633 2.487) 3.568 20.212 ( -5.211 -10.428 -7.124) 13.662 ======================= Grid point 65 (55/294) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -9.198 7.534 9.621) 15.295 1.658 ( -6.040 10.057 2.682) 12.033 2.597 ( 5.223 2.844 2.624) 6.500 2.911 ( 0.065 0.192 1.675) 1.687 3.057 ( 2.717 5.568 1.757) 6.439 3.495 ( 1.401 -3.914 0.775) 4.229 5.279 ( -2.036 -0.450 -0.942) 2.288 5.305 ( -1.472 -6.341 1.735) 6.737 5.660 ( 0.959 0.924 -0.618) 1.468 6.872 ( -0.421 -9.277 -9.973) 13.627 6.944 ( -0.626 2.973 -2.231) 3.770 7.150 ( -8.761 -8.989 5.130) 13.560 7.648 ( -5.871 -5.718 -7.293) 10.970 7.846 ( -0.614 -1.645 -1.196) 2.124 8.331 ( 0.704 1.026 -1.050) 1.628 9.955 ( 6.229 0.331 3.058) 6.947 10.202 ( -4.812 4.207 0.610) 6.421 10.956 ( 9.448 0.504 1.164) 9.532 16.678 ( -2.205 0.386 -0.238) 2.252 17.627 ( 6.192 9.953 7.961) 14.169 18.936 ( -0.496 -1.748 -1.628) 2.440 19.175 ( 1.091 3.594 0.627) 3.808 19.190 ( 1.346 0.682 1.832) 2.374 19.978 ( -5.696 -10.258 -6.834) 13.579 ======================= Grid point 66 (56/294) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -0.764 6.929 5.531) 8.899 1.703 ( 0.125 5.234 4.779) 7.089 2.685 ( 2.046 1.210 -0.508) 2.431 2.911 ( 0.346 -1.953 -0.862) 2.163 3.149 ( 1.359 4.136 2.167) 4.863 3.483 ( -1.414 -0.635 2.482) 2.926 5.229 ( -1.769 -4.034 0.194) 4.409 5.233 ( -0.341 -2.995 -1.639) 3.431 5.678 ( 0.134 1.167 0.448) 1.257 6.738 ( 1.554 -9.383 -6.865) 11.730 6.980 ( 0.315 0.258 0.688) 0.799 7.078 ( 4.017 1.443 2.849) 5.131 7.433 ( -6.749 -6.554 -7.301) 11.908 7.831 ( 0.976 -1.741 -0.746) 2.131 8.335 ( -1.351 1.210 -0.033) 1.813 10.021 ( -0.334 1.778 0.272) 1.830 10.187 ( -1.878 2.187 2.803) 4.020 11.075 ( 4.180 -0.696 -0.040) 4.238 16.663 ( 0.153 0.337 -0.276) 0.462 17.831 ( 1.779 7.826 6.544) 10.356 18.905 ( -0.458 -1.188 -1.266) 1.795 19.214 ( -0.121 1.058 0.367) 1.126 19.226 ( 2.785 0.895 0.605) 2.987 19.777 ( -4.173 -7.147 -4.768) 9.551 ======================= Grid point 67 (57/294) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 4.522 4.515 3.118) 7.110 1.824 ( 7.992 1.100 3.919) 8.968 2.662 ( -4.064 -0.937 -2.907) 5.084 2.893 ( 1.005 -1.220 -1.680) 2.307 3.196 ( -0.032 0.801 1.144) 1.397 3.459 ( -4.227 1.197 2.840) 5.231 5.183 ( 1.361 -3.166 -2.357) 4.175 5.209 ( -0.678 0.671 0.993) 1.376 5.695 ( 0.272 -0.728 2.186) 2.320 6.677 ( 3.937 -6.088 -3.310) 7.970 7.018 ( 4.809 5.170 -5.676) 9.060 7.189 ( 0.314 -6.804 0.373) 6.822 7.317 ( 6.212 2.425 1.706) 6.884 7.831 ( 1.451 -1.800 -0.051) 2.313 8.307 ( -3.700 1.217 0.740) 3.965 9.985 ( -5.999 2.512 -2.548) 6.985 10.216 ( 1.147 0.825 5.075) 5.268 11.069 ( -2.256 -2.506 -2.071) 3.957 16.685 ( 2.433 0.162 -0.296) 2.457 17.876 ( -6.084 2.748 2.790) 7.235 18.887 ( -0.009 -0.422 -0.632) 0.760 19.207 ( -1.915 0.364 0.677) 2.063 19.322 ( 8.560 0.399 -0.227) 8.572 19.653 ( -3.345 -2.384 -1.618) 4.415 ======================= Grid point 68 (58/294) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 6.747 0.111 3.611) 7.654 2.022 ( 14.188 -0.256 -0.566) 14.201 2.521 ( -8.841 -1.123 -3.020) 9.409 2.905 ( 1.538 0.876 -1.209) 2.144 3.164 ( -2.757 -3.932 0.215) 4.807 3.402 ( -5.914 2.098 0.935) 6.344 5.184 ( 2.010 -1.492 0.374) 2.531 5.244 ( 1.218 4.820 0.245) 4.977 5.676 ( -2.569 -2.466 1.142) 3.740 6.709 ( 5.970 -2.592 0.478) 6.526 7.103 ( 1.216 -4.297 -0.011) 4.466 7.185 ( 12.126 7.153 -8.954) 16.685 7.532 ( 9.661 2.096 6.815) 12.007 7.850 ( 2.692 -0.978 0.908) 3.005 8.252 ( -5.124 1.348 1.365) 5.471 9.837 ( -12.252 1.487 -3.015) 12.705 10.308 ( 5.349 0.751 4.814) 7.235 10.935 ( -7.748 -4.322 -3.829) 9.663 16.739 ( 4.278 -0.098 -0.183) 4.283 17.740 ( -10.880 -1.695 -0.866) 11.045 18.890 ( 0.553 0.345 0.042) 0.653 19.169 ( -3.337 -0.205 0.727) 3.421 19.457 ( 9.271 -6.938 -5.540) 12.836 19.634 ( -0.626 8.589 5.945) 10.464 ======================= Grid point 70 (59/294) ======================= q-point: (-0.33 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 5.895 -3.467 2.396) 7.247 2.251 ( 14.445 -2.839 -4.734) 15.464 2.354 ( -7.993 3.042 -0.298) 8.558 2.933 ( 0.288 1.212 0.519) 1.350 3.050 ( -4.135 -6.427 -0.313) 7.649 3.321 ( -6.658 2.653 -1.536) 7.330 5.215 ( 0.626 -0.692 4.185) 4.288 5.328 ( 2.801 6.587 -3.015) 7.767 5.591 ( -4.560 -1.472 -0.057) 4.792 6.824 ( 7.474 0.506 4.138) 8.558 7.135 ( 6.340 -4.349 4.197) 8.759 7.432 ( 13.109 9.998 -9.596) 19.076 7.689 ( 4.375 -1.412 4.263) 6.269 7.943 ( 6.813 3.362 2.274) 7.930 8.197 ( -3.781 1.421 2.063) 4.535 9.594 ( -16.307 0.821 -2.710) 16.551 10.433 ( 5.947 -3.258 1.596) 6.966 10.722 ( -8.754 -2.892 -2.582) 9.574 16.816 ( 5.329 -0.364 0.088) 5.342 17.520 ( -11.140 -3.300 -2.497) 11.884 18.908 ( 0.682 0.902 0.418) 1.205 19.108 ( -3.979 -0.749 0.855) 4.139 19.411 ( 1.339 -8.053 -6.737) 10.585 19.844 ( 6.590 10.827 7.370) 14.662 ======================= Grid point 71 (60/294) ======================= q-point: (-0.25 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -0.230 -4.998 1.181) 5.141 2.176 ( -6.921 1.869 -2.509) 7.595 2.528 ( 15.706 -0.055 -3.209) 16.031 2.863 ( -6.934 -5.882 4.293) 10.055 3.003 ( 1.600 1.167 -1.683) 2.599 3.219 ( -6.877 2.299 -2.819) 7.780 5.197 ( -3.899 -2.509 0.985) 4.740 5.400 ( 2.931 2.734 -1.776) 4.384 5.574 ( -0.239 6.420 1.856) 6.687 7.002 ( 8.087 2.967 6.410) 10.738 7.266 ( 9.829 -2.899 6.002) 11.876 7.599 ( 3.825 1.648 -2.793) 5.015 7.741 ( 1.862 1.031 0.709) 2.243 8.112 ( 1.890 9.335 -1.556) 9.650 8.228 ( 7.844 2.287 1.407) 8.291 9.316 ( -16.220 0.294 -1.175) 16.265 10.268 ( -10.491 -13.396 -7.923) 18.769 10.756 ( 7.370 3.821 5.173) 9.781 16.899 ( 5.107 -0.459 0.078) 5.128 17.311 ( -8.871 -2.862 -1.848) 9.503 18.927 ( -0.049 1.116 0.158) 1.128 19.044 ( -3.206 -1.163 1.099) 3.582 19.298 ( -0.912 -7.516 -6.980) 10.298 20.092 ( 6.354 9.706 6.485) 13.291 ======================= Grid point 72 (61/294) ======================= q-point: (-0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -6.587 -0.981 2.574) 7.140 2.095 ( -4.023 1.222 -3.101) 5.224 2.646 ( -0.554 -5.690 -1.996) 6.055 2.806 ( 3.246 0.863 4.338) 5.486 3.028 ( 0.298 2.182 -1.205) 2.511 3.126 ( -2.609 0.023 -2.952) 3.939 5.088 ( -4.188 -3.084 -2.615) 5.821 5.465 ( 1.804 1.111 3.742) 4.300 5.679 ( 1.962 9.029 0.564) 9.257 7.196 ( 7.114 2.489 5.545) 9.357 7.455 ( 10.120 -1.611 6.675) 12.230 7.596 ( -0.153 -2.640 0.054) 2.645 7.780 ( -1.135 4.284 3.343) 5.551 8.129 ( -4.516 3.344 -0.300) 5.627 8.489 ( 14.097 12.944 -7.294) 20.482 9.093 ( -10.348 -1.501 2.879) 10.845 9.875 ( -13.400 -15.811 -9.634) 22.855 10.958 ( 8.910 2.212 4.515) 10.231 16.959 ( 2.544 -0.086 -1.735) 3.081 17.173 ( -4.982 -1.694 1.713) 5.534 18.922 ( -1.393 0.815 -0.577) 1.714 19.005 ( -1.101 -1.476 0.999) 2.095 19.167 ( -1.655 -6.379 -6.397) 9.184 20.300 ( 4.815 7.706 4.918) 10.332 ======================= Grid point 73 (62/294) ======================= q-point: (-0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -5.870 2.181 4.212) 7.547 2.012 ( -6.468 2.988 -2.222) 7.463 2.534 ( -5.716 -4.424 3.223) 7.914 2.817 ( -8.606 6.163 0.102) 10.585 3.070 ( 0.756 0.138 1.104) 1.346 3.133 ( 9.777 -3.801 -3.548) 11.074 5.000 ( -1.551 -1.688 -2.475) 3.373 5.514 ( -0.146 0.544 4.604) 4.638 5.787 ( 1.468 6.567 0.382) 6.740 7.318 ( 4.192 -1.844 2.276) 5.114 7.537 ( 0.129 -1.520 0.753) 1.701 7.620 ( 0.310 0.393 1.581) 1.658 7.881 ( 4.064 8.086 7.228) 11.582 8.058 ( -5.377 1.646 0.112) 5.624 8.793 ( 11.809 13.999 -6.652) 19.485 9.000 ( -1.819 -3.331 6.086) 7.172 9.448 ( -11.767 -15.885 -10.759) 22.507 11.110 ( 5.904 -0.838 1.984) 6.284 16.953 ( -1.070 0.759 -3.188) 3.447 17.134 ( -1.882 -0.810 4.688) 5.116 18.905 ( -0.420 0.159 -0.841) 0.953 18.971 ( -0.917 -2.826 -1.057) 3.153 19.073 ( -0.655 -2.447 -2.776) 3.758 20.448 ( 3.268 4.719 2.642) 6.319 ======================= Grid point 76 (63/294) ======================= q-point: ( 0.08 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -1.545 3.350 0.188) 3.694 2.062 ( 0.852 1.861 2.862) 3.519 2.521 ( -3.150 3.390 4.275) 6.299 2.801 ( -9.054 4.128 -1.226) 10.026 3.065 ( -1.828 -0.905 0.760) 2.177 3.142 ( 10.714 -4.795 -0.345) 11.743 5.010 ( 3.290 2.182 1.400) 4.189 5.529 ( -1.594 -1.159 -1.385) 2.409 5.816 ( -1.738 -5.095 0.516) 5.408 7.271 ( -2.538 -1.191 -2.126) 3.519 7.505 ( -7.216 1.466 -6.021) 9.512 7.558 ( -2.181 2.136 -1.554) 3.425 7.958 ( -0.677 -6.686 -2.913) 7.324 8.176 ( 5.868 -0.568 -1.412) 6.062 8.635 ( -16.810 -13.662 8.378) 23.225 9.090 ( 9.047 1.336 -0.764) 9.177 9.488 ( 16.002 15.620 3.482) 22.631 11.042 ( -5.149 -2.864 -2.699) 6.481 16.935 ( -1.717 0.149 1.486) 2.276 17.157 ( 0.224 1.689 -0.672) 1.832 18.915 ( 1.820 -0.191 3.192) 3.679 18.961 ( 1.654 3.049 -0.851) 3.571 19.052 ( 0.028 0.820 1.046) 1.330 20.470 ( -1.551 -4.296 -3.164) 5.556 ======================= Grid point 77 (64/294) ======================= q-point: ( 0.17 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -4.701 7.007 1.252) 8.530 2.125 ( -0.054 3.343 4.180) 5.353 2.450 ( -11.707 2.668 5.948) 13.400 2.788 ( 3.196 5.212 -2.048) 6.448 3.017 ( -3.430 -0.795 1.196) 3.718 3.262 ( 9.422 -5.051 0.481) 10.701 5.124 ( 5.575 3.706 2.032) 6.996 5.465 ( -2.682 -2.775 -1.724) 4.227 5.723 ( -2.315 -7.568 0.496) 7.930 7.166 ( -4.506 -4.278 -5.490) 8.292 7.294 ( -11.746 2.726 -9.233) 15.186 7.578 ( -0.082 1.505 -0.039) 1.507 7.854 ( -1.946 -8.158 -1.805) 8.579 8.224 ( 2.550 -3.123 -0.879) 4.126 8.309 ( -14.612 -7.814 4.059) 17.060 9.302 ( 15.016 -0.038 2.183) 15.174 9.915 ( 14.594 14.944 5.577) 21.620 10.878 ( -7.338 -4.225 -3.941) 9.340 16.891 ( -4.634 0.107 0.591) 4.672 17.220 ( 4.036 4.125 2.015) 6.113 18.950 ( 1.295 -1.647 1.346) 2.490 19.024 ( 2.784 3.553 -1.924) 4.907 19.096 ( 0.611 3.966 5.439) 6.759 20.344 ( -3.308 -8.086 -5.858) 10.518 ======================= Grid point 78 (65/294) ======================= q-point: ( 0.25 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -7.083 8.097 1.700) 10.891 2.091 ( -14.719 6.571 6.040) 17.214 2.401 ( 3.724 -1.337 2.348) 4.601 2.916 ( 5.351 6.727 -0.357) 8.603 2.964 ( -2.847 -1.068 1.438) 3.364 3.356 ( 6.920 -4.195 1.227) 8.185 5.252 ( 4.320 2.442 -0.650) 5.004 5.379 ( -2.842 -4.592 1.132) 5.517 5.632 ( -0.473 -5.193 -0.166) 5.217 6.981 ( -5.588 -6.736 -8.991) 12.547 7.112 ( -8.917 4.875 -6.484) 12.055 7.513 ( -8.787 -6.732 4.537) 11.963 7.740 ( -1.969 -4.735 -0.931) 5.212 8.039 ( -10.724 -4.084 -0.932) 11.514 8.251 ( 3.255 -1.223 -2.715) 4.412 9.572 ( 15.782 -0.358 2.956) 16.060 10.259 ( 6.504 10.854 4.422) 13.404 10.733 ( -1.242 -2.680 -2.255) 3.716 16.810 ( -5.309 0.280 -0.010) 5.316 17.385 ( 7.644 6.114 4.497) 10.772 18.943 ( 0.014 -1.870 -0.680) 1.990 19.094 ( 3.631 2.279 -1.302) 4.480 19.189 ( -0.362 6.057 6.635) 8.991 20.147 ( -4.778 -10.702 -7.587) 13.961 ======================= Grid point 79 (66/294) ======================= q-point: ( 0.33 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -7.588 5.998 1.555) 9.797 1.926 ( -15.032 6.073 4.749) 16.894 2.509 ( 7.880 -0.823 0.940) 7.978 2.925 ( -1.476 -1.724 1.319) 2.625 3.060 ( 4.347 6.323 0.413) 7.684 3.426 ( 4.580 -2.289 1.644) 5.377 5.246 ( -0.790 -3.737 -4.026) 5.549 5.319 ( -2.350 -4.120 2.904) 5.561 5.639 ( 2.836 1.398 -0.201) 3.169 6.787 ( -4.507 -5.583 -7.036) 10.049 7.017 ( -4.741 6.016 -4.168) 8.721 7.270 ( -12.301 -11.428 8.289) 18.725 7.653 ( -4.715 -2.865 -5.347) 7.683 7.870 ( -5.091 -1.016 -2.254) 5.659 8.288 ( 3.684 -0.563 -1.671) 4.084 9.819 ( 12.372 -0.573 3.088) 12.764 10.319 ( -5.398 3.351 -0.858) 6.411 10.827 ( 9.500 2.533 2.456) 10.134 16.734 ( -4.231 0.315 0.004) 4.242 17.619 ( 9.417 6.773 5.155) 12.694 18.917 ( -0.338 -1.633 -1.123) 2.010 19.162 ( 3.123 1.427 -0.581) 3.483 19.259 ( -2.813 5.913 5.322) 8.438 19.916 ( -4.527 -11.085 -7.695) 14.233 ======================= Grid point 80 (67/294) ======================= q-point: ( 0.42 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -6.967 1.544 4.105) 8.232 1.812 ( -6.514 5.241 -0.825) 8.401 2.625 ( 5.747 0.175 0.545) 5.776 2.894 ( -0.856 -2.118 0.403) 2.319 3.166 ( 2.095 3.835 0.725) 4.430 3.483 ( 2.654 -0.319 1.225) 2.940 5.176 ( -0.911 -3.623 -1.247) 3.939 5.254 ( -1.949 -2.581 -0.099) 3.235 5.687 ( 0.677 2.067 -1.029) 2.406 6.654 ( -2.530 -3.419 -3.390) 5.439 7.021 ( -2.336 3.482 2.106) 4.693 7.081 ( -2.853 -3.831 4.106) 6.298 7.460 ( -8.488 -4.944 -6.837) 11.968 7.818 ( -0.965 0.116 -0.830) 1.278 8.329 ( 2.372 -0.109 -0.799) 2.506 9.985 ( 6.360 -0.838 2.557) 6.906 10.251 ( -3.521 1.604 -1.760) 4.251 11.002 ( 6.234 1.957 1.983) 6.828 16.683 ( -2.302 0.189 0.049) 2.310 17.848 ( 7.432 4.981 3.709) 9.685 18.894 ( -0.187 -0.983 -0.755) 1.254 19.210 ( 1.755 0.658 -0.143) 1.880 19.264 ( -4.634 3.222 2.540) 6.190 19.733 ( -1.748 -7.149 -4.885) 8.833 ======================= Grid point 81 (68/294) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.000 0.000 0.000) 0.000 1.783 ( 0.000 0.000 0.000) 0.000 2.681 ( -0.000 0.000 0.000) 0.000 2.873 ( 0.000 0.000 0.000) 0.000 3.204 ( 0.000 0.000 0.000) 0.000 3.509 ( 0.000 0.000 -0.000) 0.000 5.146 ( -0.000 0.000 0.000) 0.000 5.224 ( -0.000 0.000 0.000) 0.000 5.695 ( 0.000 0.000 0.000) 0.000 6.606 ( -0.000 0.000 0.000) 0.000 6.985 ( -0.000 0.000 0.000) 0.000 7.157 ( -0.000 0.000 -0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 7.810 ( 0.000 0.000 0.000) 0.000 8.346 ( 0.000 0.000 0.000) 0.000 10.039 ( -0.000 0.000 -0.000) 0.000 10.226 ( -0.000 0.000 0.000) 0.000 11.069 ( 0.000 0.000 0.000) 0.000 16.665 ( -0.000 0.000 0.000) 0.000 17.952 ( 0.000 0.000 0.000) 0.000 18.885 ( 0.000 0.000 0.000) 0.000 19.227 ( -0.000 0.000 -0.000) 0.000 19.238 ( -0.000 0.000 0.000) 0.000 19.673 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 162 (69/294) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -0.000 0.000 23.329) 23.329 0.432 ( -0.000 0.000 23.329) 23.329 0.688 ( -0.000 0.000 37.007) 37.007 2.747 ( -0.000 0.000 1.032) 1.032 2.747 ( -0.000 0.000 1.032) 1.032 3.934 ( 0.000 -0.000 -1.521) 1.521 5.013 ( -0.000 0.000 2.550) 2.550 5.013 ( -0.000 0.000 2.550) 2.550 5.867 ( -0.000 0.000 1.032) 1.032 7.167 ( -0.000 0.000 2.744) 2.744 7.167 ( -0.000 0.000 2.744) 2.744 8.164 ( 0.000 -0.000 -2.453) 2.453 8.164 ( 0.000 -0.000 -2.453) 2.453 8.181 ( 0.000 -0.000 -4.491) 4.491 8.499 ( -0.000 0.000 1.367) 1.367 9.554 ( 0.000 -0.000 -2.874) 2.874 9.554 ( 0.000 0.000 -2.874) 2.874 11.507 ( -0.000 0.000 0.258) 0.258 16.687 ( -0.000 0.000 2.005) 2.005 16.687 ( -0.000 0.000 2.005) 2.005 19.020 ( -0.000 0.000 0.198) 0.198 19.031 ( 0.000 -0.000 -1.058) 1.058 19.031 ( 0.000 -0.000 -1.058) 1.058 20.783 ( 0.000 -0.000 -0.281) 0.281 ======================= Grid point 163 (70/294) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 7.889 0.331 15.641) 17.522 0.804 ( 10.284 11.642 20.634) 25.827 1.090 ( 13.140 6.045 30.702) 33.939 2.743 ( -0.189 -0.886 0.875) 1.260 2.778 ( 1.320 1.249 1.938) 2.656 3.896 ( -2.503 -1.439 -1.920) 3.468 5.016 ( 0.547 -1.134 1.978) 2.345 5.118 ( 5.050 4.389 3.458) 7.531 5.860 ( -1.024 -0.813 1.395) 1.912 7.027 ( -8.052 -1.696 5.402) 9.843 7.232 ( 4.431 -2.649 5.645) 7.650 8.028 ( -6.823 -4.559 -4.922) 9.569 8.167 ( 0.178 -2.573 -2.049) 3.294 8.175 ( -0.319 0.948 -2.168) 2.387 8.434 ( -4.309 7.339 2.053) 8.754 9.456 ( 2.752 -10.623 -8.109) 13.645 9.731 ( 4.239 4.730 3.154) 7.091 11.446 ( -5.511 1.272 -2.950) 6.379 16.693 ( 1.139 -0.176 1.430) 1.837 16.762 ( 2.520 4.006 3.839) 6.094 18.993 ( -1.244 -0.416 -1.755) 2.191 19.027 ( -0.088 1.123 -0.552) 1.254 19.088 ( 2.182 0.705 -0.051) 2.293 20.706 ( -3.138 -4.299 -0.133) 5.324 ======================= Grid point 164 (71/294) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 18.828 7.777 5.005) 20.976 1.205 ( 11.321 10.573 17.526) 23.390 1.539 ( 12.566 8.213 24.765) 28.960 2.734 ( -0.068 -1.734 0.691) 1.867 2.837 ( 2.039 2.477 2.726) 4.210 3.803 ( -4.818 -2.912 -2.284) 6.075 5.026 ( 0.810 -1.569 1.410) 2.259 5.276 ( 5.396 4.948 4.979) 8.854 5.841 ( -0.891 -1.431 1.503) 2.258 6.986 ( -0.003 2.494 -0.546) 2.553 7.332 ( 5.444 -1.980 7.523) 9.495 7.831 ( -8.209 -3.484 -6.118) 10.815 8.097 ( -3.357 -2.743 -0.147) 4.337 8.175 ( 1.795 -2.224 -1.335) 3.154 8.495 ( -1.939 13.871 -2.046) 14.155 9.341 ( 5.158 -14.818 -11.703) 19.574 9.792 ( -3.837 -1.811 13.297) 13.958 11.339 ( -6.815 4.144 -7.194) 10.741 16.734 ( 2.574 0.594 1.330) 2.957 16.879 ( 2.794 5.574 4.768) 7.849 18.958 ( -1.219 0.234 -2.501) 2.792 19.033 ( 0.149 0.667 -0.678) 0.963 19.101 ( -1.360 -0.803 3.077) 3.459 20.623 ( -0.845 -4.856 -2.884) 5.711 ======================= Grid point 165 (72/294) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 19.771 9.532 2.037) 22.043 1.565 ( 11.089 6.096 13.986) 18.861 1.947 ( 10.011 11.405 18.968) 24.292 2.714 ( -0.282 -2.626 0.217) 2.650 2.922 ( 2.501 3.590 3.069) 5.344 3.657 ( -6.933 -4.646 -2.598) 8.741 5.025 ( 0.309 -2.393 1.089) 2.647 5.430 ( 3.761 4.483 5.384) 7.952 5.828 ( 0.243 -1.815 1.235) 2.208 7.052 ( 5.593 5.795 -6.053) 10.075 7.439 ( 2.066 0.446 6.128) 6.483 7.638 ( -6.126 -3.229 -6.351) 9.396 8.032 ( -1.558 -2.561 1.997) 3.602 8.174 ( 2.550 -4.235 -0.844) 5.015 8.585 ( -1.933 15.511 -3.952) 16.123 9.206 ( 5.459 -16.079 -12.566) 21.124 9.749 ( -9.108 -5.681 18.974) 21.800 11.223 ( -6.522 5.246 -9.143) 12.396 16.800 ( 3.315 1.141 1.586) 3.848 17.003 ( 2.376 5.590 4.215) 7.393 18.929 ( -0.888 0.513 -2.275) 2.495 19.035 ( 0.239 0.204 -0.977) 1.026 19.074 ( -3.371 -1.760 5.081) 6.347 20.552 ( 0.410 -4.346 -4.745) 6.447 ======================= Grid point 166 (73/294) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 14.789 9.055 2.422) 17.510 1.836 ( 9.270 0.908 9.576) 13.359 2.308 ( 7.834 13.191 13.287) 20.296 2.678 ( -0.171 -3.211 -0.985) 3.363 3.014 ( 2.192 3.700 2.746) 5.102 3.462 ( -8.707 -6.462 -2.443) 11.115 5.007 ( -0.169 -2.761 1.300) 3.056 5.532 ( 0.748 3.268 3.474) 4.828 5.832 ( 1.630 -1.804 0.568) 2.497 7.194 ( 9.347 8.337 -9.496) 15.718 7.412 ( -6.929 1.732 -2.320) 7.509 7.551 ( 0.340 -2.306 -0.836) 2.477 8.031 ( 0.671 -0.385 2.880) 2.982 8.164 ( 3.108 -6.952 -0.597) 7.639 8.664 ( 1.139 9.023 -7.877) 12.032 9.087 ( 3.073 -8.686 -6.916) 11.521 9.633 ( -12.025 -7.974 21.111) 25.571 11.123 ( -4.596 4.754 -8.667) 10.902 16.876 ( 3.057 1.248 2.395) 4.079 17.100 ( 1.275 4.254 2.044) 4.889 18.914 ( -0.312 0.536 -0.924) 1.113 19.026 ( -3.773 -1.364 4.167) 5.785 19.034 ( 0.120 -0.885 0.413) 0.984 20.499 ( 1.099 -2.897 -5.671) 6.462 ======================= Grid point 167 (74/294) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 3.702 4.849 2.839) 6.729 2.011 ( 6.841 -0.475 5.534) 8.812 2.533 ( -0.996 2.338 4.168) 4.882 2.716 ( 8.729 6.065 0.724) 10.654 3.083 ( 0.813 2.117 1.816) 2.906 3.230 ( -9.913 -7.781 -1.109) 12.651 4.991 ( -0.104 -2.000 2.020) 2.844 5.555 ( -1.705 1.596 -0.541) 2.397 5.847 ( 1.562 -1.432 -0.207) 2.129 7.318 ( -3.668 1.681 -2.859) 4.945 7.379 ( 9.691 9.143 -10.096) 16.717 7.532 ( 0.160 -0.739 -0.834) 1.126 8.041 ( -2.140 1.531 -0.240) 2.643 8.129 ( 1.345 -7.003 -2.302) 7.494 8.655 ( 6.732 -8.339 -16.726) 19.865 9.114 ( 0.876 7.830 6.502) 10.215 9.488 ( -12.503 -7.078 21.996) 26.273 11.064 ( -1.203 3.111 -6.695) 7.480 16.945 ( 1.751 0.802 3.695) 4.167 17.142 ( -0.285 2.034 -1.202) 2.380 18.919 ( 0.296 0.094 1.341) 1.376 18.978 ( -3.674 -1.083 4.562) 5.956 19.036 ( 0.883 -0.706 -0.440) 1.213 20.466 ( 1.479 -0.913 -6.012) 6.258 ======================= Grid point 168 (75/294) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -4.196 -0.520 -0.921) 4.327 2.077 ( -2.488 -1.831 3.649) 4.781 2.480 ( -2.730 -3.860 -2.322) 5.267 2.904 ( -2.501 0.177 -0.175) 2.514 3.064 ( 2.353 0.813 2.765) 3.721 3.099 ( 0.049 0.168 1.151) 1.164 4.997 ( 0.351 -0.325 3.034) 3.072 5.511 ( -2.462 -0.065 -4.214) 4.881 5.845 ( -0.057 -0.925 -1.043) 1.396 7.291 ( -0.192 1.502 -1.952) 2.470 7.484 ( 3.137 1.851 -5.920) 6.951 7.587 ( 4.702 3.950 -2.669) 6.695 7.989 ( -4.076 3.891 -5.327) 7.754 8.044 ( -1.931 -4.774 -4.816) 7.051 8.570 ( 8.686 -11.676 -18.094) 23.220 9.269 ( 4.951 -2.787 11.043) 12.419 9.406 ( -13.373 9.381 23.032) 28.237 11.064 ( 2.908 1.272 -4.484) 5.494 16.987 ( -0.357 -0.176 5.075) 5.090 17.115 ( -1.875 -0.258 -4.299) 4.697 18.930 ( -0.581 -1.822 4.120) 4.542 18.957 ( -1.224 1.664 2.379) 3.151 19.046 ( 1.450 -1.015 0.266) 1.790 20.456 ( 1.803 1.079 -6.020) 6.376 ======================= Grid point 169 (76/294) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -10.011 -2.905 -5.328) 11.707 1.935 ( -10.129 -7.145 -0.769) 12.419 2.314 ( -9.976 -8.734 -2.219) 13.444 2.783 ( -5.217 -1.632 3.193) 6.331 3.033 ( -3.400 -2.743 -0.448) 4.391 3.303 ( 11.053 6.536 1.893) 12.979 5.031 ( 0.512 1.102 4.019) 4.198 5.433 ( -2.185 -1.609 -5.733) 6.342 5.817 ( -1.507 -0.229 -1.711) 2.292 7.287 ( 1.520 -2.057 -4.447) 5.130 7.498 ( -1.421 -0.691 -5.093) 5.333 7.608 ( -0.857 1.157 0.816) 1.655 7.923 ( -4.201 3.359 -6.981) 8.813 8.012 ( 3.900 4.994 -5.251) 8.229 8.508 ( 9.248 -10.291 -16.514) 21.545 9.316 ( 3.518 -12.130 15.212) 19.771 9.523 ( -8.759 19.921 17.174) 27.722 11.125 ( 6.263 0.363 -2.836) 6.885 16.987 ( -2.541 -1.647 4.768) 5.648 17.032 ( -3.244 -1.640 -4.898) 6.099 18.932 ( -0.191 -0.403 3.445) 3.474 18.980 ( -0.099 1.401 2.282) 2.680 19.065 ( 1.710 -1.547 1.433) 2.715 20.471 ( 2.312 2.560 -5.859) 6.799 ======================= Grid point 170 (77/294) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -14.721 -4.337 -8.550) 17.567 1.625 ( -13.347 -12.395 -7.237) 19.600 1.992 ( -17.956 -11.064 4.808) 21.633 2.749 ( -1.916 0.858 2.781) 3.484 2.937 ( -3.824 -3.689 -0.810) 5.374 3.536 ( 9.348 5.265 1.194) 10.795 5.072 ( -0.336 1.154 4.382) 4.544 5.343 ( -2.276 -2.769 -5.081) 6.218 5.782 ( -1.159 0.544 -1.991) 2.368 7.232 ( 1.275 -7.947 -6.304) 10.223 7.322 ( -10.732 0.003 -7.036) 12.833 7.697 ( 4.489 4.700 2.473) 6.953 7.890 ( 0.798 3.196 -3.451) 4.771 8.110 ( 2.547 6.934 -2.520) 7.805 8.470 ( 8.466 -8.297 -14.979) 19.102 9.384 ( 5.746 -8.245 13.316) 16.683 9.644 ( -8.278 14.802 13.540) 21.701 11.229 ( 7.364 0.899 -2.321) 7.773 16.906 ( -3.072 -3.116 -6.427) 7.775 16.957 ( -5.156 -1.787 6.281) 8.320 18.962 ( 1.096 0.858 2.961) 3.272 19.001 ( -0.257 1.166 1.578) 1.979 19.085 ( 1.258 -2.071 2.255) 3.310 20.506 ( 3.044 3.083 -5.684) 7.147 ======================= Grid point 171 (78/294) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -18.194 -4.625 -9.774) 21.165 1.201 ( -14.766 -16.007 -11.727) 24.734 1.611 ( -22.238 -11.581 12.910) 28.201 2.749 ( -1.083 0.841 2.036) 2.455 2.844 ( -2.979 -3.035 -0.341) 4.267 3.716 ( 6.955 3.889 0.492) 7.983 5.085 ( -1.689 -0.253 3.575) 3.962 5.244 ( -3.497 -2.910 -3.201) 5.563 5.775 ( 0.823 1.044 -1.449) 1.966 7.068 ( -6.564 -6.249 -5.935) 10.834 7.182 ( -2.086 -0.475 -5.969) 6.341 7.831 ( 4.676 4.081 2.793) 6.806 7.961 ( 4.222 5.782 -2.497) 7.582 8.176 ( 0.607 3.035 0.594) 3.151 8.437 ( 5.075 -4.686 -12.639) 14.404 9.501 ( 8.156 -7.335 10.666) 15.299 9.698 ( -8.020 9.989 9.935) 16.211 11.339 ( 6.025 2.512 -3.327) 7.327 16.790 ( -2.829 -2.677 -5.937) 7.101 16.886 ( -6.085 -2.194 6.582) 9.228 19.010 ( 1.041 -0.511 1.408) 1.824 19.019 ( 0.139 3.141 2.424) 3.970 19.092 ( 0.408 -2.271 2.171) 3.168 20.554 ( 3.782 2.430 -5.575) 7.162 ======================= Grid point 172 (79/294) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -21.124 -2.835 -9.840) 23.475 0.740 ( -13.990 -17.556 -6.648) 23.412 1.220 ( -23.997 -12.724 19.412) 33.385 2.751 ( -0.491 -0.146 1.586) 1.666 2.783 ( -2.023 -1.487 0.400) 2.543 3.841 ( 4.654 2.676 -0.266) 5.375 5.060 ( -1.861 -2.200 2.228) 3.642 5.143 ( -4.538 -1.470 -1.062) 4.887 5.805 ( 1.913 1.003 -0.322) 2.183 6.903 ( -4.528 -2.558 -1.932) 5.548 7.135 ( 0.586 -1.456 -2.794) 3.204 7.964 ( 5.610 3.711 2.143) 7.059 8.073 ( 3.999 5.713 -2.193) 7.310 8.201 ( 0.505 -0.439 1.462) 1.608 8.385 ( -0.484 -0.308 -9.025) 9.043 9.617 ( 7.446 -9.536 7.417) 14.191 9.708 ( -5.551 6.508 7.090) 11.110 11.422 ( 3.233 4.511 -5.530) 7.835 16.702 ( -1.822 -1.448 -3.593) 4.281 16.806 ( -5.870 -1.831 5.694) 8.380 19.015 ( -0.089 0.132 0.149) 0.218 19.073 ( -0.801 2.865 2.428) 3.840 19.086 ( 1.077 -2.341 1.792) 3.139 20.603 ( 4.366 0.881 -4.835) 6.574 ======================= Grid point 175 (80/294) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -6.749 0.164 20.507) 21.589 0.787 ( 7.194 2.113 24.189) 25.325 1.348 ( -0.374 19.434 28.060) 34.134 2.762 ( -0.996 0.756 1.038) 1.625 2.786 ( 0.785 1.608 2.043) 2.716 3.884 ( -0.013 -2.665 -2.300) 3.520 5.057 ( -2.303 1.757 2.693) 3.955 5.111 ( 2.255 4.012 4.410) 6.375 5.865 ( -0.198 -1.936 1.542) 2.483 7.094 ( 7.420 -8.751 6.496) 13.185 7.181 ( -9.139 -3.406 5.274) 11.088 8.048 ( -1.184 -5.419 -5.006) 7.472 8.086 ( -0.264 -2.025 -6.584) 6.894 8.188 ( 0.437 2.415 -2.208) 3.301 8.357 ( 6.039 -11.563 2.196) 13.228 9.566 ( -15.671 7.777 -5.730) 18.409 9.698 ( 8.965 11.450 -2.425) 14.743 11.418 ( 3.373 -7.920 -0.379) 8.617 16.678 ( -0.295 -1.605 1.751) 2.393 16.814 ( 1.626 7.170 4.570) 8.657 19.010 ( -0.916 0.139 -0.565) 1.085 19.040 ( 4.267 2.493 -1.945) 5.311 19.069 ( -2.660 3.275 -1.197) 4.385 20.679 ( -1.911 -9.035 0.311) 9.240 ======================= Grid point 176 (81/294) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 5.903 6.875 15.315) 17.795 1.148 ( 14.111 2.414 20.583) 25.072 1.717 ( 3.385 19.019 23.702) 30.578 2.748 ( -1.814 0.228 1.062) 2.114 2.846 ( 2.017 2.774 2.676) 4.350 3.816 ( -2.645 -3.905 -2.719) 5.444 5.047 ( -2.131 0.974 2.875) 3.709 5.256 ( 5.869 4.894 4.522) 8.880 5.841 ( -0.741 -3.243 1.573) 3.679 7.044 ( -5.884 -1.747 2.682) 6.699 7.200 ( 9.579 -7.272 7.274) 14.055 7.892 ( -6.735 -2.861 -7.185) 10.255 8.040 ( 2.584 -6.924 -3.592) 8.218 8.167 ( -2.978 0.142 -1.062) 3.165 8.409 ( 11.023 -8.865 -4.804) 14.939 9.352 ( -14.409 9.371 -6.797) 18.483 9.877 ( 2.303 3.955 6.760) 8.163 11.376 ( -0.763 -3.110 -4.394) 5.437 16.692 ( 2.281 -1.246 1.604) 3.054 16.955 ( 1.678 9.703 5.205) 11.138 18.988 ( -1.790 1.281 -1.540) 2.686 19.052 ( -1.937 2.749 -1.704) 3.770 19.111 ( 2.069 1.398 0.703) 2.594 20.546 ( -1.443 -10.905 -1.037) 11.049 ======================= Grid point 177 (82/294) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 14.794 10.515 8.765) 20.156 1.503 ( 12.395 2.276 16.652) 20.883 2.086 ( 5.018 16.900 18.655) 25.666 2.722 ( -2.122 -0.327 0.964) 2.353 2.932 ( 2.661 3.547 2.982) 5.344 3.691 ( -5.215 -5.481 -3.078) 8.168 5.036 ( -1.880 0.033 2.403) 3.051 5.426 ( 5.687 4.298 4.703) 8.540 5.805 ( -0.329 -4.386 1.425) 4.623 7.001 ( 0.895 2.068 -3.945) 4.544 7.354 ( 10.033 -4.669 7.821) 13.551 7.703 ( -7.916 -2.214 -6.671) 10.586 7.996 ( 2.905 -7.861 -2.278) 8.685 8.104 ( -1.944 -2.920 -1.367) 3.765 8.444 ( 10.407 -12.340 -9.693) 18.829 9.219 ( -10.651 13.999 -4.922) 18.266 9.935 ( -4.424 -1.900 15.104) 15.853 11.285 ( -3.971 0.901 -8.560) 9.479 16.745 ( 4.050 -0.965 1.848) 4.555 17.096 ( -0.094 10.342 4.756) 11.383 18.962 ( -2.094 2.418 -1.809) 3.675 19.035 ( -1.086 1.361 -1.990) 2.644 19.137 ( -1.447 -0.339 4.511) 4.750 20.433 ( 1.672 -10.029 -4.110) 10.967 ======================= Grid point 178 (83/294) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 16.532 10.602 5.981) 20.530 1.781 ( 8.251 2.098 12.062) 14.764 2.413 ( 5.645 13.622 12.997) 19.655 2.680 ( -3.180 -0.697 0.544) 3.301 3.026 ( 2.554 3.320 2.550) 4.904 3.512 ( -7.241 -7.097 -2.708) 10.494 5.017 ( -1.748 -0.590 2.212) 2.881 5.561 ( 2.929 3.184 3.552) 5.598 5.770 ( 1.113 -5.537 0.600) 5.680 7.059 ( 6.860 5.253 -9.630) 12.938 7.491 ( 4.192 -2.723 0.674) 5.044 7.538 ( -5.991 0.913 -0.545) 6.084 7.969 ( 6.010 -10.207 -2.382) 12.082 8.041 ( 0.220 -4.918 -0.746) 4.979 8.400 ( 8.342 -14.727 -11.191) 20.291 9.206 ( -6.999 17.373 -2.440) 18.888 9.895 ( -9.736 -4.435 20.698) 23.299 11.170 ( -4.506 2.319 -10.556) 11.710 16.824 ( 4.948 -0.838 2.520) 5.616 17.192 ( -2.389 8.999 2.774) 9.716 18.948 ( -1.753 3.078 -0.698) 3.611 19.018 ( -0.305 0.270 -2.210) 2.247 19.118 ( -3.923 -1.480 7.041) 8.195 20.364 ( 4.097 -7.841 -6.559) 11.013 ======================= Grid point 179 (84/294) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 12.320 9.074 5.417) 16.232 1.949 ( 3.322 1.040 7.324) 8.110 2.601 ( -2.399 -2.873 -2.704) 4.617 2.688 ( 4.159 11.659 8.680) 15.118 3.093 ( 1.207 1.163 1.165) 2.041 3.302 ( -8.435 -7.607 -0.481) 11.368 5.004 ( -1.032 -0.105 2.561) 2.764 5.604 ( -2.185 1.646 0.446) 2.772 5.754 ( 4.065 -6.352 -0.838) 7.588 7.183 ( 9.306 5.746 -13.395) 17.293 7.433 ( -1.996 2.197 -0.564) 3.021 7.538 ( -2.551 1.562 -0.279) 3.004 7.919 ( 6.724 -14.881 -9.445) 18.865 8.060 ( 3.307 -1.391 4.104) 5.451 8.326 ( 6.237 -12.188 -8.957) 16.361 9.251 ( -4.167 10.945 -0.019) 11.711 9.825 ( -11.597 0.596 23.492) 26.206 11.063 ( -2.730 1.126 -9.881) 10.313 16.914 ( 4.691 -0.970 3.672) 6.036 17.215 ( -4.502 6.137 -0.248) 7.615 18.954 ( -1.449 2.852 1.683) 3.615 19.006 ( 0.649 -0.428 -2.123) 2.261 19.077 ( -4.790 -0.952 7.311) 8.792 20.336 ( 5.379 -5.246 -7.873) 10.883 ======================= Grid point 180 (85/294) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -4.295 2.167 1.385) 5.006 2.093 ( 3.182 0.755 5.359) 6.278 2.501 ( -3.679 -1.289 -3.535) 5.262 2.901 ( 5.451 6.796 2.301) 9.011 3.064 ( -2.920 -5.338 1.093) 6.182 3.142 ( -4.392 -1.892 2.475) 5.385 5.019 ( -0.016 1.486 3.371) 3.684 5.541 ( -4.362 -0.480 -3.409) 5.557 5.761 ( 4.553 -6.082 -1.868) 7.823 7.260 ( 4.471 1.961 -9.114) 10.340 7.475 ( -3.640 5.390 -4.317) 7.807 7.523 ( 5.803 2.602 0.006) 6.360 7.834 ( 7.202 -11.880 -10.968) 17.701 8.095 ( -1.834 2.854 -2.507) 4.218 8.272 ( 4.981 -9.204 -5.907) 12.017 9.249 ( -1.921 -4.205 6.604) 8.062 9.855 ( -9.590 12.867 20.964) 26.401 10.992 ( 1.039 -1.571 -7.323) 7.561 16.995 ( 3.137 -1.373 5.115) 6.156 17.161 ( -5.838 2.891 -3.031) 7.185 18.961 ( -1.898 -0.197 4.242) 4.651 19.007 ( 1.413 -1.278 -0.969) 2.138 19.053 ( -3.633 3.410 5.080) 7.116 20.340 ( 5.825 -2.928 -8.440) 10.665 ======================= Grid point 181 (86/294) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -10.041 -2.326 -2.814) 10.684 2.020 ( -8.918 -4.752 -3.124) 10.577 2.420 ( -7.007 -0.738 2.760) 7.567 2.871 ( -5.669 -2.834 3.015) 7.019 3.069 ( -3.935 -2.880 0.938) 4.966 3.181 ( 10.981 4.593 0.913) 11.937 5.069 ( 0.396 2.998 4.212) 5.185 5.433 ( -3.898 -1.693 -5.366) 6.845 5.758 ( 3.466 -5.563 -2.562) 7.037 7.250 ( -1.255 -1.708 -5.142) 5.561 7.460 ( 2.233 3.912 -6.699) 8.073 7.613 ( 1.579 -1.556 1.537) 2.698 7.849 ( 8.637 0.221 -10.127) 13.312 8.036 ( -4.563 9.044 -10.756) 14.775 8.233 ( 4.441 -9.229 -4.176) 11.061 9.231 ( 2.027 -11.188 12.945) 17.229 9.963 ( -9.421 16.817 15.009) 24.430 10.991 ( 6.024 -3.203 -3.415) 7.630 17.041 ( -0.641 -1.095 -0.840) 1.521 17.058 ( -5.122 -0.411 2.777) 5.841 18.948 ( -1.144 -2.264 4.951) 5.563 19.012 ( 1.007 -0.751 -0.523) 1.361 19.081 ( -2.120 5.369 4.062) 7.059 20.364 ( 5.895 -1.164 -8.766) 10.628 ======================= Grid point 182 (87/294) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -13.606 -9.077 -5.046) 17.117 1.748 ( -15.524 -1.325 -8.825) 17.906 2.246 ( -15.617 -4.746 9.403) 18.837 2.810 ( -2.864 -0.192 2.625) 3.890 2.970 ( -4.557 -3.414 0.647) 5.731 3.412 ( 11.522 3.743 0.137) 12.116 5.125 ( -0.543 2.638 4.011) 4.831 5.331 ( -2.602 -1.726 -4.321) 5.331 5.742 ( 2.410 -4.130 -2.860) 5.572 7.149 ( -2.777 -4.100 -5.154) 7.148 7.442 ( -6.418 3.106 -6.675) 9.767 7.662 ( 5.556 2.280 0.917) 6.075 7.863 ( 0.782 1.854 -7.334) 7.605 8.099 ( 4.389 9.197 -6.071) 11.862 8.202 ( 6.707 -5.502 -8.772) 12.337 9.268 ( 5.052 -11.601 14.790) 19.464 10.011 ( -10.237 11.953 7.837) 17.581 11.086 ( 8.979 -1.311 0.651) 9.098 16.920 ( -5.349 -0.662 -6.084) 8.128 17.053 ( -3.140 -2.424 8.910) 9.753 18.953 ( 0.869 -2.306 4.488) 5.120 19.019 ( 0.801 -0.374 -0.563) 1.048 19.119 ( -2.231 4.734 3.843) 6.493 20.400 ( 5.853 0.038 -9.092) 10.813 ======================= Grid point 183 (88/294) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -15.427 -10.016 -2.982) 18.634 1.396 ( -20.700 2.276 -10.939) 23.523 1.963 ( -20.767 -7.125 14.249) 26.174 2.781 ( -1.601 -1.251 0.887) 2.218 2.883 ( -4.031 -1.308 1.679) 4.558 3.613 ( 9.556 2.385 -0.187) 9.851 5.127 ( -1.996 -0.943 0.607) 2.289 5.272 ( -2.788 0.439 0.633) 2.892 5.736 ( 2.535 -1.745 -2.357) 3.876 7.041 ( -3.048 -2.881 -3.337) 5.360 7.280 ( -10.034 4.013 -7.614) 13.220 7.798 ( 6.106 2.453 1.664) 6.788 7.903 ( 5.194 4.564 -5.685) 8.952 8.122 ( 2.916 -9.280 2.269) 9.988 8.307 ( 6.371 13.168 -13.398) 19.837 9.349 ( 6.904 -11.031 13.987) 19.104 9.955 ( -8.949 3.686 1.507) 9.795 11.242 ( 7.915 2.243 1.970) 8.459 16.801 ( -4.387 -0.386 -4.946) 6.622 17.012 ( -5.685 -2.578 9.172) 11.095 18.986 ( 2.310 -1.967 4.006) 5.025 19.023 ( 0.769 -0.688 -0.316) 1.079 19.139 ( -2.561 3.342 2.897) 5.111 20.442 ( 5.686 0.943 -9.162) 10.824 ======================= Grid point 184 (89/294) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -16.201 -2.616 3.835) 16.853 1.003 ( -23.491 4.768 -8.425) 25.407 1.627 ( -23.582 -8.564 18.441) 31.137 2.748 ( -0.436 -2.396 0.243) 2.447 2.834 ( -3.389 0.478 2.216) 4.077 3.761 ( 7.070 1.074 -0.714) 7.187 5.071 ( -1.975 -2.761 -0.917) 3.516 5.234 ( -5.008 1.550 3.489) 6.297 5.766 ( 3.121 0.253 -0.835) 3.240 6.962 ( -4.350 1.406 0.606) 4.611 7.149 ( -4.769 3.322 -5.184) 7.788 7.927 ( 6.022 2.926 1.349) 6.830 7.992 ( 5.213 0.137 -5.762) 7.771 8.117 ( 4.283 -5.661 2.774) 7.622 8.429 ( 0.674 14.329 -8.446) 16.646 9.444 ( 7.470 -10.915 10.400) 16.826 9.827 ( -5.682 -3.857 -1.793) 7.098 11.387 ( 4.757 4.577 -0.172) 6.604 16.718 ( -2.984 0.799 -2.961) 4.279 16.939 ( -6.947 -2.355 8.443) 11.184 19.014 ( 0.180 -0.099 -0.003) 0.205 19.044 ( 2.828 -2.675 3.372) 5.150 19.132 ( -2.330 0.812 1.029) 2.673 20.493 ( 5.442 2.297 -7.742) 9.738 ======================= Grid point 187 (90/294) ======================= q-point: ( 0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -3.883 10.047 14.283) 17.889 1.045 ( -15.670 -1.152 21.559) 26.677 1.705 ( -2.387 16.889 23.282) 28.861 2.780 ( 1.431 2.251 1.352) 2.991 2.819 ( -1.773 0.936 2.265) 3.025 3.819 ( 2.487 -3.631 -2.483) 5.053 5.091 ( 2.079 3.581 2.632) 4.907 5.218 ( -5.994 2.741 5.110) 8.340 5.854 ( 0.143 -2.351 1.541) 2.814 6.968 ( 2.931 -4.618 2.119) 5.866 7.325 ( -7.378 -3.010 6.860) 10.515 7.868 ( 7.598 -6.318 -7.377) 12.332 8.068 ( -2.498 -3.737 -5.095) 6.795 8.164 ( -1.004 -6.161 1.354) 6.387 8.269 ( -2.947 -3.190 -2.752) 5.141 9.618 ( 11.905 16.022 -8.282) 21.611 9.829 ( -7.994 4.179 3.769) 9.776 11.245 ( 4.871 -10.809 -1.785) 11.989 16.699 ( -2.754 -1.749 1.915) 3.782 16.898 ( 0.290 7.615 5.406) 9.343 18.984 ( 3.617 2.460 -2.314) 4.949 19.019 ( -0.579 0.068 -0.728) 0.933 19.122 ( -0.754 1.201 1.248) 1.889 20.619 ( -0.603 -6.746 -2.236) 7.133 ======================= Grid point 188 (91/294) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -5.507 5.864 17.666) 19.411 1.126 ( 6.397 3.906 21.629) 22.890 1.993 ( 1.060 17.428 19.506) 26.179 2.801 ( -2.235 1.901 1.257) 3.192 2.855 ( 2.016 2.664 2.624) 4.248 3.783 ( -0.279 -4.650 -2.864) 5.469 5.134 ( -3.305 2.327 3.299) 5.218 5.253 ( 2.776 4.609 4.843) 7.239 5.826 ( -0.636 -4.302 1.346) 4.552 7.025 ( 7.715 -6.002 4.615) 10.810 7.167 ( -9.652 -5.456 5.859) 12.540 7.827 ( 3.872 -10.891 -8.185) 14.164 7.931 ( -3.440 -4.434 -8.449) 10.143 8.139 ( 5.767 -9.988 -1.294) 11.605 8.218 ( -2.535 2.321 -1.875) 3.915 9.677 ( -14.978 9.978 -3.854) 18.405 9.879 ( 7.152 9.022 0.149) 11.514 11.259 ( 6.304 -7.447 -0.589) 9.774 16.671 ( -0.077 -1.371 1.731) 2.209 17.053 ( 2.560 10.978 6.156) 12.844 19.002 ( -0.674 -0.438 -0.696) 1.064 19.072 ( 4.422 3.510 -2.109) 6.027 19.116 ( -2.345 3.068 -0.738) 3.931 20.474 ( -3.735 -12.058 -1.148) 12.675 ======================= Grid point 189 (92/294) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 5.030 9.628 14.466) 18.090 1.436 ( 11.144 2.579 18.811) 22.016 2.283 ( 2.549 15.160 14.472) 21.113 2.785 ( -3.040 2.416 1.788) 4.275 2.939 ( 2.570 3.365 2.662) 5.002 3.686 ( -3.211 -5.942 -3.236) 7.489 5.111 ( -3.883 1.449 3.297) 5.296 5.393 ( 5.524 3.486 3.906) 7.611 5.776 ( -0.630 -5.429 1.424) 5.648 7.019 ( -4.481 -2.361 -0.474) 5.087 7.174 ( 11.051 -5.377 8.332) 14.848 7.709 ( -0.010 -9.046 -9.973) 13.465 7.783 ( 1.162 -11.240 -8.713) 14.269 8.091 ( 0.970 -8.255 -2.212) 8.601 8.211 ( 0.728 -0.169 -2.049) 2.181 9.535 ( -12.874 14.631 -4.138) 19.924 10.029 ( 1.689 2.178 8.238) 8.686 11.258 ( 1.116 -2.953 -4.752) 5.705 16.691 ( 2.493 -1.117 1.798) 3.270 17.231 ( 0.813 12.232 5.516) 13.443 18.981 ( -0.498 -0.598 -1.016) 1.280 19.091 ( -3.250 4.228 -2.261) 5.792 19.156 ( 2.263 2.168 1.041) 3.302 20.297 ( -1.470 -13.325 -2.052) 13.562 ======================= Grid point 190 (93/294) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 11.741 10.467 10.311) 18.807 1.737 ( 9.932 2.426 14.509) 17.750 2.511 ( 2.565 8.517 6.856) 11.231 2.781 ( -3.644 5.457 4.217) 7.800 3.025 ( 2.526 2.726 1.626) 4.056 3.533 ( -5.644 -7.069 -2.478) 9.379 5.078 ( -3.557 0.737 2.940) 4.673 5.521 ( 5.470 0.202 1.615) 5.707 5.727 ( -0.714 -4.924 2.105) 5.403 6.972 ( 1.682 1.691 -6.129) 6.577 7.367 ( 10.162 -2.819 5.526) 11.906 7.565 ( -0.463 -6.717 -7.399) 10.004 7.654 ( 6.257 -16.863 -8.843) 20.043 8.019 ( -0.903 -5.211 0.288) 5.296 8.196 ( 0.892 -2.775 -2.283) 3.703 9.480 ( -9.255 16.291 -4.486) 19.266 10.083 ( -3.361 -2.076 15.239) 15.743 11.184 ( -3.064 -0.050 -8.713) 9.237 16.750 ( 4.450 -1.088 2.164) 5.066 17.355 ( -2.986 11.281 3.471) 12.174 18.966 ( 0.214 -0.908 -0.954) 1.334 19.065 ( -3.468 4.915 -1.716) 6.256 19.196 ( -1.190 0.549 4.823) 4.998 20.169 ( 3.111 -11.786 -5.061) 13.198 ======================= Grid point 191 (94/294) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 13.430 8.108 8.272) 17.735 1.966 ( 5.462 4.185 8.866) 11.223 2.570 ( -0.631 -1.568 -2.391) 2.928 2.845 ( -2.152 10.016 6.848) 12.322 3.076 ( 1.451 -0.077 -0.620) 1.579 3.359 ( -6.732 -6.539 0.846) 9.423 5.054 ( -2.392 1.097 2.864) 3.890 5.583 ( 5.241 -5.233 -1.565) 7.570 5.680 ( -2.872 -2.232 1.550) 3.954 7.024 ( 6.771 4.996 -10.927) 13.791 7.415 ( 1.116 -2.848 -2.381) 3.876 7.488 ( 7.869 -13.814 -13.562) 20.897 7.647 ( 4.666 -2.979 5.000) 7.459 7.989 ( 2.737 -5.459 3.889) 7.240 8.170 ( 1.225 -3.351 -1.420) 3.840 9.447 ( -8.584 11.310 -4.773) 14.979 10.100 ( -5.070 0.079 19.343) 19.997 11.063 ( -4.371 0.082 -10.441) 11.319 16.836 ( 5.555 -1.268 2.789) 6.344 17.380 ( -6.738 8.285 0.600) 10.696 18.960 ( 1.070 -1.437 -0.974) 2.039 19.053 ( -3.337 4.448 1.164) 5.681 19.194 ( -3.853 0.994 6.789) 7.869 20.115 ( 6.946 -8.919 -8.041) 13.873 ======================= Grid point 192 (95/294) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 5.269 0.563 7.572) 9.242 2.100 ( 0.664 7.167 2.370) 7.578 2.491 ( -0.695 -2.550 -5.735) 6.315 2.942 ( -0.177 6.866 3.406) 7.666 3.055 ( -1.089 -3.562 -0.354) 3.742 3.220 ( -5.982 -4.133 3.662) 8.141 5.065 ( -0.600 2.787 3.235) 4.312 5.577 ( 1.121 -8.512 -1.677) 8.748 5.610 ( -0.854 -1.027 -2.903) 3.195 7.121 ( 7.152 4.771 -11.569) 14.414 7.380 ( 6.418 -12.452 -7.876) 16.071 7.487 ( 8.552 2.158 -6.315) 10.848 7.667 ( -4.476 2.819 2.049) 5.673 8.042 ( 5.564 -6.412 3.119) 9.044 8.168 ( 1.827 -1.510 0.673) 2.464 9.340 ( -8.827 0.906 -0.841) 8.913 10.184 ( -3.633 7.848 18.279) 20.222 10.928 ( -2.656 -2.769 -9.633) 10.369 16.933 ( 5.445 -1.601 3.363) 6.597 17.307 ( -8.857 4.566 -1.412) 10.064 18.961 ( 1.567 -1.561 -0.937) 2.402 19.039 ( -3.799 0.537 4.574) 5.970 19.194 ( -4.204 5.352 5.860) 8.981 20.121 ( 8.782 -6.126 -9.548) 14.346 ======================= Grid point 193 (96/294) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -10.745 -1.953 -2.477) 11.199 2.093 ( -4.660 -1.894 0.011) 5.030 2.513 ( 0.967 4.398 1.316) 4.691 2.942 ( -4.079 -3.471 2.974) 6.126 3.076 ( 5.472 3.141 0.350) 6.319 3.116 ( -4.648 -3.763 1.900) 6.275 5.122 ( 0.435 4.404 3.687) 5.760 5.456 ( -4.760 -3.383 -4.211) 7.199 5.602 ( 4.973 -6.464 -2.867) 8.645 7.182 ( 3.708 -0.450 -6.799) 7.758 7.362 ( 7.733 -2.728 -7.965) 11.432 7.604 ( -0.076 0.039 -4.200) 4.201 7.680 ( 6.500 9.558 -1.523) 11.659 8.052 ( 2.407 -4.683 -1.879) 5.590 8.170 ( -2.726 1.305 -1.875) 3.556 9.216 ( -3.707 -7.097 7.379) 10.888 10.306 ( -6.250 11.537 11.518) 17.459 10.840 ( 3.946 -5.788 -4.469) 8.309 17.010 ( 3.162 -1.482 1.534) 3.814 17.183 ( -8.369 1.138 0.608) 8.467 18.967 ( 1.211 -2.399 0.793) 2.802 19.003 ( -2.963 -0.657 3.544) 4.666 19.223 ( -3.965 7.203 4.884) 9.563 20.161 ( 8.978 -3.546 -9.840) 13.784 ======================= Grid point 194 (97/294) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -14.492 -5.592 -3.689) 15.965 1.945 ( -12.085 1.838 -3.912) 12.835 2.494 ( -10.254 0.281 7.689) 12.819 2.863 ( -3.612 -3.051 2.489) 5.343 3.024 ( -4.143 -2.451 1.715) 5.110 3.244 ( 11.600 2.333 -1.382) 11.912 5.178 ( -0.925 2.156 1.782) 2.946 5.348 ( -2.788 0.131 -2.176) 3.539 5.610 ( 5.069 -5.627 -2.477) 7.968 7.152 ( -1.722 -1.337 -2.205) 3.100 7.468 ( 5.745 5.757 -6.446) 10.378 7.576 ( 1.824 -0.773 -2.090) 2.880 7.844 ( 2.178 6.878 -5.435) 9.033 8.041 ( 3.671 -4.132 -3.626) 6.610 8.104 ( -1.862 7.283 -7.972) 10.958 9.195 ( 2.359 -10.218 14.572) 17.953 10.272 ( -10.301 3.257 -0.573) 10.819 10.935 ( 10.237 -0.844 4.885) 11.374 16.974 ( -4.930 0.820 -6.462) 8.169 17.124 ( -2.111 -2.909 10.123) 10.742 18.954 ( -0.561 -3.613 4.506) 5.803 18.996 ( 0.531 0.657 -0.871) 1.213 19.245 ( -3.958 5.291 3.437) 7.448 20.222 ( 8.168 -0.760 -9.416) 12.488 ======================= Grid point 195 (98/294) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -15.532 -1.869 0.762) 15.662 1.695 ( -17.973 4.117 -6.019) 19.396 2.306 ( -17.428 -3.511 12.091) 21.500 2.790 ( -2.264 -3.719 -0.175) 4.358 2.963 ( -4.138 0.240 2.998) 5.115 3.448 ( 12.020 1.039 -1.492) 12.157 5.135 ( -2.141 -2.745 -2.642) 4.370 5.351 ( -2.112 4.070 3.987) 6.076 5.638 ( 4.922 -2.406 -1.923) 5.806 7.103 ( -4.401 2.817 1.513) 5.440 7.441 ( -8.790 5.631 -7.550) 12.883 7.675 ( 8.952 -1.045 -1.676) 9.167 7.853 ( 1.548 6.134 -6.696) 9.212 8.003 ( 2.236 -8.934 2.176) 9.463 8.248 ( 8.518 16.753 -13.442) 23.106 9.255 ( 4.294 -10.843 17.658) 21.162 10.071 ( -9.204 -5.829 -6.501) 12.687 11.150 ( 9.529 2.847 6.031) 11.631 16.857 ( -5.449 1.479 -5.296) 7.742 17.119 ( -3.353 -3.662 10.857) 11.938 18.956 ( 1.416 -3.099 4.210) 5.416 19.005 ( 0.591 0.418 -0.944) 1.190 19.230 ( -3.671 1.523 0.959) 4.088 20.297 ( 6.914 2.374 -8.363) 11.108 ======================= Grid point 196 (99/294) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -14.807 5.642 6.704) 17.206 1.387 ( -21.257 6.430 -4.143) 22.592 2.033 ( -21.259 -5.180 15.635) 26.893 2.731 ( -0.617 -2.949 -0.526) 3.058 2.920 ( -4.265 0.880 3.048) 5.316 3.621 ( 9.842 -0.394 -1.628) 9.983 5.062 ( -1.387 -2.805 -2.174) 3.810 5.361 ( -4.379 2.777 5.353) 7.452 5.703 ( 4.575 1.008 -0.577) 4.720 7.091 ( -4.938 6.429 4.666) 9.354 7.277 ( -9.949 5.484 -7.154) 13.425 7.779 ( 8.597 -3.472 -3.793) 10.017 7.916 ( 3.147 0.307 -1.312) 3.423 8.025 ( 5.299 -0.248 1.367) 5.478 8.461 ( 6.642 18.170 -12.579) 23.076 9.327 ( 3.700 -11.629 16.335) 20.390 9.816 ( -5.711 -10.934 -7.400) 14.385 11.336 ( 6.504 2.458 2.018) 7.240 16.773 ( -3.982 2.518 -3.172) 5.679 17.073 ( -5.856 -3.733 9.878) 12.075 18.992 ( 3.038 -2.688 3.954) 5.665 19.009 ( 0.167 -0.062 -0.470) 0.503 19.167 ( -3.070 -2.351 -1.801) 4.266 20.391 ( 5.947 5.374 -6.502) 10.321 ======================= Grid point 199 (100/294) ======================= q-point: ( 0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -11.932 12.922 7.866) 19.267 1.437 ( -17.662 0.485 16.916) 24.461 2.010 ( -2.738 11.849 18.224) 21.909 2.778 ( 2.678 2.531 1.264) 3.895 2.882 ( -3.132 0.537 2.688) 4.162 3.706 ( 5.011 -4.304 -2.542) 7.078 5.102 ( 2.901 3.802 2.623) 5.455 5.373 ( -6.192 1.268 4.847) 7.966 5.839 ( -0.177 -2.339 1.183) 2.627 6.941 ( -2.912 -0.552 -3.504) 4.589 7.415 ( -3.006 -5.264 2.696) 6.634 7.665 ( 4.952 -3.986 -5.145) 8.178 8.038 ( -0.563 -3.259 -0.981) 3.450 8.171 ( -7.822 -8.985 2.412) 12.155 8.281 ( -3.741 -1.483 -5.948) 7.181 9.504 ( 13.976 17.145 -10.881) 24.651 9.949 ( 2.607 0.748 13.783) 14.047 11.066 ( 1.349 -10.113 -6.613) 12.158 16.755 ( -4.353 -1.608 2.178) 5.126 17.004 ( -0.572 7.183 4.899) 8.713 18.944 ( 2.452 2.637 -2.127) 4.182 19.022 ( -0.482 -0.275 -1.057) 1.194 19.132 ( 1.668 -0.843 4.486) 4.860 20.547 ( 0.179 -4.400 -5.132) 6.763 ======================= Grid point 200 (101/294) ======================= q-point: ( 0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -6.053 9.919 12.501) 17.068 1.316 ( -9.802 2.491 20.283) 22.665 2.224 ( 1.246 13.198 14.307) 19.505 2.859 ( 2.096 3.860 2.117) 4.876 2.864 ( -1.569 0.909 2.225) 2.870 3.705 ( 2.147 -5.041 -2.747) 6.130 5.199 ( 1.169 3.728 3.121) 5.000 5.329 ( -3.677 2.280 4.542) 6.273 5.800 ( -0.869 -5.052 0.700) 5.174 6.912 ( 2.766 -2.554 0.049) 3.765 7.283 ( -6.646 -8.522 2.618) 11.120 7.609 ( 0.578 -11.725 -5.328) 12.892 7.910 ( -5.800 -5.226 -7.033) 10.508 8.008 ( 0.840 -8.110 0.301) 8.159 8.260 ( -1.071 3.119 -2.993) 4.453 9.795 ( 10.251 11.233 -4.853) 15.963 9.965 ( -8.861 6.295 1.881) 11.031 11.056 ( 9.058 -7.546 0.133) 11.790 16.691 ( -2.624 -1.516 1.949) 3.602 17.152 ( 2.949 11.298 6.216) 13.228 19.000 ( -0.628 -0.931 -1.031) 1.524 19.021 ( 4.201 4.303 -2.436) 6.488 19.163 ( -0.413 0.873 2.403) 2.590 20.416 ( -3.707 -10.400 -4.042) 11.758 ======================= Grid point 201 (102/294) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -3.463 8.211 15.166) 17.591 1.447 ( 4.498 3.577 18.762) 19.622 2.443 ( 2.140 11.342 8.649) 14.423 2.866 ( -1.612 2.663 2.385) 3.922 2.949 ( 2.164 4.058 2.716) 5.341 3.646 ( -0.980 -5.809 -2.999) 6.610 5.211 ( -3.842 1.374 3.115) 5.133 5.376 ( 2.325 2.105 3.457) 4.668 5.738 ( -0.400 -5.776 0.555) 5.816 6.983 ( 6.991 -3.272 2.716) 8.183 7.116 ( -5.229 -6.847 3.868) 9.444 7.435 ( 1.375 -17.046 -9.083) 19.364 7.729 ( -4.785 -5.935 -8.273) 11.250 7.971 ( 2.456 -6.088 -1.123) 6.660 8.251 ( -1.971 3.153 -1.704) 4.091 9.828 ( -11.014 9.161 -1.627) 14.418 10.031 ( 5.811 6.153 1.216) 8.550 11.141 ( 6.649 -4.061 -1.005) 7.856 16.670 ( 0.072 -1.106 1.920) 2.217 17.357 ( 2.761 13.136 5.762) 14.607 18.971 ( -0.541 -1.467 -1.345) 2.062 19.119 ( 4.177 3.752 -1.453) 5.799 19.168 ( -1.782 2.770 0.294) 3.306 20.210 ( -4.582 -13.419 -2.536) 14.405 ======================= Grid point 202 (103/294) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 4.431 8.923 12.681) 16.126 1.693 ( 8.755 1.687 16.166) 18.462 2.582 ( 0.309 6.211 1.386) 6.372 2.898 ( -0.629 4.492 3.403) 5.671 3.031 ( 1.170 3.946 2.245) 4.688 3.535 ( -3.725 -5.797 -1.934) 7.157 5.170 ( -4.326 0.621 2.943) 5.269 5.435 ( 3.438 -3.389 0.235) 4.833 5.705 ( 0.790 -3.053 2.288) 3.896 6.960 ( -2.610 -2.060 -1.791) 3.776 7.183 ( 10.373 -6.828 1.594) 12.520 7.268 ( 6.084 -13.491 -5.858) 15.916 7.551 ( -3.320 -7.602 -5.403) 9.899 7.951 ( 2.076 -4.777 -0.955) 5.295 8.228 ( -3.314 2.505 -0.841) 4.239 9.744 ( -9.682 11.883 -3.395) 15.699 10.153 ( 2.129 0.653 7.624) 7.942 11.156 ( 0.568 -1.531 -5.121) 5.375 16.694 ( 2.566 -1.029 2.051) 3.442 17.525 ( -1.208 12.599 3.512) 13.135 18.942 ( -0.052 -1.720 -1.390) 2.212 19.157 ( -2.545 3.793 0.778) 4.634 19.212 ( 2.943 2.920 0.195) 4.150 20.012 ( -1.720 -13.477 -2.932) 13.899 ======================= Grid point 203 (104/294) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 9.542 7.461 9.630) 15.475 1.940 ( 8.776 1.807 11.598) 14.656 2.580 ( -3.335 0.600 -3.953) 5.206 2.952 ( 1.034 1.859 0.877) 2.301 3.082 ( -1.154 4.533 1.464) 4.901 3.411 ( -5.178 -4.276 1.614) 6.907 5.129 ( -3.350 0.971 2.616) 4.360 5.429 ( 3.881 -7.867 -2.210) 9.047 5.714 ( -0.721 -0.683 2.448) 2.641 6.934 ( 2.340 2.817 -6.186) 7.189 7.108 ( 7.746 -15.555 -11.502) 20.839 7.363 ( 1.446 -1.807 -2.903) 3.712 7.521 ( 11.473 -6.246 9.866) 16.370 7.936 ( 1.249 -3.776 0.187) 3.982 8.184 ( -3.772 1.395 -0.055) 4.022 9.670 ( -9.938 10.285 -5.331) 15.263 10.227 ( 0.523 -0.776 12.229) 12.265 11.074 ( -4.060 -0.651 -8.193) 9.167 16.756 ( 4.572 -1.189 2.320) 5.263 17.578 ( -6.628 9.458 0.218) 11.551 18.923 ( 0.644 -1.605 -1.245) 2.130 19.158 ( -3.108 2.798 3.710) 5.591 19.282 ( 0.528 4.242 2.900) 5.166 19.880 ( 3.601 -11.482 -6.103) 13.493 ======================= Grid point 204 (105/294) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 9.370 3.143 8.494) 13.032 2.145 ( 5.869 5.201 5.094) 9.351 2.452 ( -4.969 -3.824 -7.145) 9.506 2.969 ( 1.676 -2.230 -0.742) 2.886 3.099 ( -3.229 5.371 0.277) 6.273 3.303 ( -6.148 -3.804 4.320) 8.422 5.125 ( -1.070 2.981 2.247) 3.883 5.405 ( 4.502 -8.788 -1.698) 10.019 5.668 ( -4.763 -0.984 -0.996) 4.965 6.998 ( 5.771 2.863 -7.446) 9.846 7.062 ( 9.296 -7.706 -10.876) 16.250 7.368 ( 5.261 -1.513 -1.027) 5.570 7.732 ( 7.080 -0.338 8.739) 11.252 7.926 ( 1.760 -4.474 2.089) 5.242 8.151 ( -0.796 0.096 1.396) 1.610 9.526 ( -12.491 4.736 -5.138) 14.312 10.334 ( 2.572 2.475 13.359) 13.827 10.920 ( -6.388 -2.309 -9.389) 11.588 16.844 ( 5.713 -1.503 2.592) 6.451 17.500 ( -10.115 5.219 -2.077) 11.569 18.919 ( 1.234 -1.180 -0.954) 1.956 19.139 ( -4.290 -0.903 6.259) 7.641 19.349 ( -2.630 8.127 4.825) 9.811 19.843 ( 9.154 -8.489 -9.261) 15.544 ======================= Grid point 205 (106/294) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -0.098 -0.527 5.662) 5.687 2.143 ( -9.610 -0.639 -3.732) 10.329 2.453 ( 10.414 3.796 -1.849) 11.237 2.961 ( -0.190 -3.148 1.794) 3.628 3.083 ( -2.463 2.682 -2.366) 4.342 3.187 ( -6.549 -3.916 4.298) 8.758 5.177 ( 0.732 5.112 1.999) 5.538 5.387 ( 3.505 -7.950 -0.923) 8.737 5.553 ( -5.002 -1.260 -3.147) 6.042 7.045 ( 6.965 -5.175 -3.100) 9.215 7.153 ( 9.263 6.225 -10.694) 15.457 7.488 ( 8.853 2.043 -2.622) 9.456 7.802 ( -4.176 5.830 3.906) 8.166 7.939 ( 3.841 -7.183 2.458) 8.509 8.187 ( 2.162 0.373 2.065) 3.013 9.321 ( -11.209 -0.980 -0.726) 11.275 10.507 ( 1.883 6.858 10.995) 13.095 10.725 ( -3.624 -7.140 -8.165) 11.436 16.936 ( 5.285 -1.674 2.066) 5.916 17.348 ( -10.347 1.738 -1.471) 10.595 18.928 ( 1.481 -0.870 -0.493) 1.787 19.085 ( -4.746 -2.399 5.898) 7.941 19.389 ( -4.692 6.858 3.646) 9.074 19.902 ( 11.411 -3.325 -8.657) 14.704 ======================= Grid point 206 (107/294) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -13.996 -0.795 -2.368) 14.217 2.099 ( -6.098 0.343 1.255) 6.236 2.625 ( 2.624 4.710 0.819) 5.453 2.908 ( -4.638 -5.654 4.874) 8.788 3.048 ( 0.573 -2.505 -0.823) 2.698 3.124 ( 0.803 1.067 -0.610) 1.468 5.217 ( -2.262 0.035 -0.430) 2.302 5.371 ( 1.875 1.562 -1.083) 2.669 5.494 ( 1.130 -2.492 0.172) 2.742 7.109 ( 5.360 -1.035 0.598) 5.492 7.324 ( 10.465 7.315 -7.404) 14.760 7.574 ( 0.686 2.325 -4.536) 5.144 7.860 ( 1.764 8.843 0.832) 9.055 7.932 ( 2.426 -7.250 1.388) 7.770 8.185 ( -4.228 5.095 -6.336) 9.164 9.190 ( -2.946 -6.115 9.010) 11.281 10.407 ( -11.136 -5.422 -7.266) 14.360 10.806 ( 10.937 1.745 8.097) 13.720 16.984 ( 0.865 -0.450 -2.325) 2.521 17.215 ( -6.121 -1.402 4.669) 7.825 18.938 ( 0.915 -1.404 0.517) 1.754 19.028 ( -3.191 -1.450 3.669) 5.074 19.365 ( -4.536 1.658 0.190) 4.833 20.029 ( 9.751 2.563 -5.984) 11.725 ======================= Grid point 207 (108/294) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -13.990 3.052 2.067) 14.468 1.957 ( -12.566 2.163 -1.105) 12.799 2.595 ( -11.515 1.347 6.383) 13.235 2.788 ( -3.573 -6.417 0.786) 7.387 3.040 ( -2.156 0.284 2.999) 3.704 3.236 ( 12.172 -0.099 -3.245) 12.598 5.126 ( -3.080 -3.599 -3.169) 5.699 5.451 ( -0.777 6.392 3.909) 7.533 5.528 ( 5.397 -0.970 0.036) 5.483 7.198 ( 1.341 4.342 4.673) 6.519 7.512 ( 8.499 4.822 -4.592) 10.796 7.546 ( -2.577 3.299 -4.892) 6.438 7.887 ( -2.250 -4.237 -1.488) 5.023 7.923 ( -0.944 2.163 -1.429) 2.759 8.197 ( 5.374 15.220 -13.078) 20.774 9.210 ( 3.102 -9.132 17.304) 19.810 10.094 ( -10.778 -11.686 -9.377) 18.457 11.053 ( 10.448 2.661 6.323) 12.499 16.925 ( -4.428 1.743 -5.408) 7.203 17.186 ( -1.606 -3.895 10.041) 10.889 18.936 ( 0.346 -2.349 2.188) 3.228 19.007 ( -0.627 0.014 1.024) 1.201 19.281 ( -3.816 -2.942 -2.811) 5.579 20.180 ( 7.249 6.458 -4.225) 10.588 ======================= Grid point 208 (109/294) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -12.414 7.961 6.412) 16.081 1.737 ( -16.860 4.253 -0.649) 17.400 2.401 ( -17.762 -1.885 11.556) 21.274 2.705 ( -0.648 -3.451 -1.478) 3.810 3.015 ( -3.772 0.821 3.058) 4.925 3.417 ( 12.396 -1.507 -2.719) 12.780 5.041 ( -1.307 -2.906 -2.457) 4.023 5.482 ( -3.158 2.012 5.915) 7.001 5.642 ( 5.353 4.369 -0.108) 6.911 7.275 ( -3.732 7.929 6.432) 10.871 7.461 ( -10.169 6.073 -6.712) 13.614 7.593 ( 5.993 -3.319 -4.315) 8.096 7.854 ( 3.281 -1.538 0.340) 3.639 7.962 ( 4.171 3.879 -1.200) 5.821 8.410 ( 9.850 19.056 -15.255) 26.322 9.294 ( 2.729 -10.913 21.828) 24.556 9.743 ( -8.196 -15.110 -10.642) 20.217 11.245 ( 7.690 0.452 1.678) 7.884 16.846 ( -4.134 2.992 -3.438) 6.153 17.171 ( -3.396 -4.449 9.477) 11.006 18.948 ( 2.030 -2.158 2.982) 4.204 19.005 ( -0.168 -0.397 0.238) 0.492 19.163 ( -3.011 -4.975 -4.299) 7.232 20.329 ( 5.555 8.058 -3.659) 10.449 ======================= Grid point 211 (110/294) ======================= q-point: ( 0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -13.382 11.000 4.963) 18.020 1.808 ( -13.806 4.289 11.267) 18.329 2.244 ( -4.762 5.416 13.563) 15.361 2.753 ( 4.031 2.414 0.422) 4.717 2.961 ( -4.126 -0.022 2.844) 5.012 3.547 ( 7.479 -4.674 -2.208) 9.092 5.097 ( 4.000 3.580 2.726) 6.020 5.481 ( -3.945 -1.226 2.603) 4.883 5.833 ( -1.025 -2.280 0.606) 2.572 7.007 ( -8.163 2.658 -7.912) 11.674 7.338 ( 0.663 -8.883 -5.233) 10.331 7.588 ( 1.982 -0.164 -0.780) 2.136 8.016 ( -0.900 -3.793 -0.080) 3.899 8.247 ( 0.874 3.252 -0.981) 3.507 8.321 ( -15.928 -12.354 0.274) 20.159 9.356 ( 14.830 15.540 -10.456) 23.891 9.933 ( 11.300 -0.923 19.460) 22.521 10.947 ( -3.171 -7.273 -9.536) 12.405 16.832 ( -5.040 -1.486 2.644) 5.882 17.098 ( -0.012 6.052 3.131) 6.814 18.930 ( 1.391 3.049 -0.967) 3.488 19.016 ( -0.270 -0.635 -1.322) 1.492 19.113 ( 3.221 -1.526 6.662) 7.556 20.472 ( -0.100 -3.255 -7.254) 7.952 ======================= Grid point 212 (111/294) ======================= q-point: ( 0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -9.299 11.137 7.855) 16.499 1.667 ( -15.393 2.911 15.383) 21.956 2.368 ( 1.952 7.674 9.302) 12.216 2.852 ( 3.864 3.329 1.523) 5.323 2.925 ( -2.503 0.686 2.793) 3.812 3.587 ( 4.598 -4.984 -2.174) 7.121 5.218 ( 3.337 4.199 3.110) 6.200 5.421 ( -3.538 -1.031 2.068) 4.226 5.772 ( -1.755 -5.576 0.125) 5.847 6.893 ( -2.942 1.088 -4.699) 5.650 7.203 ( -0.430 -11.575 -7.263) 13.672 7.570 ( -2.978 -4.939 1.395) 5.933 7.938 ( -2.727 -10.005 0.570) 10.386 7.978 ( -11.829 -5.417 -1.128) 13.060 8.271 ( 0.581 2.422 -3.146) 4.012 9.669 ( 13.799 11.703 -6.762) 19.316 10.130 ( -1.347 3.056 9.006) 9.605 10.856 ( 6.084 -5.148 -3.170) 8.577 16.748 ( -4.559 -1.639 2.186) 5.315 17.235 ( 3.716 10.279 4.918) 11.985 18.984 ( 0.920 0.596 -2.258) 2.510 19.006 ( 1.160 3.268 -0.336) 3.484 19.178 ( 1.416 -0.827 5.413) 5.656 20.346 ( -2.856 -8.601 -7.194) 11.572 ======================= Grid point 213 (112/294) ======================= q-point: ( 0.33 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -6.107 8.589 10.340) 14.764 1.605 ( -6.828 3.065 17.149) 18.711 2.523 ( 3.194 6.701 3.673) 8.282 2.910 ( -0.503 1.055 2.336) 2.612 2.973 ( 2.784 4.749 2.668) 6.117 3.576 ( 1.394 -4.888 -2.102) 5.500 5.280 ( -1.201 0.748 1.836) 2.318 5.392 ( -0.740 -0.861 2.203) 2.478 5.694 ( -0.686 -5.200 -0.363) 5.257 6.885 ( 3.433 -0.329 -0.186) 3.453 7.040 ( 0.253 -11.965 -7.407) 14.074 7.391 ( -10.895 -11.560 6.038) 16.994 7.715 ( -6.734 -6.173 -6.817) 11.398 7.892 ( 0.470 -4.169 -0.851) 4.281 8.284 ( 0.055 2.831 -2.411) 3.719 9.920 ( 8.823 5.901 -0.918) 10.655 10.095 ( -7.760 6.381 -0.519) 10.060 10.970 ( 10.039 -2.367 0.562) 10.329 16.691 ( -2.404 -1.165 2.187) 3.453 17.449 ( 4.993 12.580 4.683) 14.322 18.957 ( -0.561 -1.607 -1.786) 2.467 19.089 ( 2.914 4.930 -0.609) 5.759 19.210 ( -0.206 0.340 3.205) 3.229 20.145 ( -4.651 -11.892 -5.501) 13.903 ======================= Grid point 214 (113/294) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -2.051 6.566 11.467) 13.372 1.703 ( 2.985 1.113 15.268) 15.597 2.622 ( 1.314 4.524 -1.701) 5.009 2.925 ( 0.140 0.327 0.474) 0.593 3.077 ( 1.810 5.064 3.210) 6.263 3.525 ( -1.396 -3.246 -0.963) 3.662 5.249 ( -3.005 -0.651 1.672) 3.500 5.360 ( -0.149 -6.388 -0.238) 6.394 5.675 ( 1.647 -1.067 1.186) 2.293 6.888 ( 2.745 -10.603 -6.950) 12.971 7.002 ( 4.893 -2.030 2.365) 5.801 7.169 ( -4.986 -7.885 6.480) 11.359 7.515 ( -5.411 -6.639 -7.048) 11.092 7.873 ( 1.887 -3.388 -0.767) 3.953 8.290 ( -1.449 2.997 -1.571) 3.681 9.963 ( -7.512 5.613 0.480) 9.389 10.136 ( 4.810 4.129 0.136) 6.340 11.076 ( 4.798 -0.959 -2.320) 5.415 16.676 ( 0.077 -1.029 2.232) 2.459 17.657 ( 2.291 12.722 2.361) 13.140 18.922 ( -0.481 -1.624 -1.459) 2.235 19.173 ( 3.175 3.160 -0.500) 4.508 19.227 ( -0.641 1.647 2.623) 3.163 19.927 ( -4.365 -12.197 -3.667) 13.464 ======================= Grid point 215 (114/294) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 4.361 4.894 8.841) 11.006 1.879 ( 7.551 -1.193 12.862) 14.962 2.621 ( -2.923 2.177 -5.153) 6.311 2.916 ( 0.677 -2.016 -2.242) 3.090 3.156 ( 0.152 4.291 2.257) 4.851 3.468 ( -3.441 -0.871 1.234) 3.758 5.202 ( -3.349 -0.476 1.833) 3.847 5.295 ( 2.031 -7.618 -1.870) 8.103 5.716 ( 1.684 -0.247 2.365) 2.914 6.809 ( 4.991 -10.439 -5.889) 12.983 6.947 ( -3.163 -0.463 -2.022) 3.783 7.297 ( 9.404 0.933 6.359) 11.390 7.351 ( 0.727 -9.103 -0.322) 9.138 7.874 ( 2.144 -2.895 -0.174) 3.607 8.270 ( -3.553 2.738 -0.684) 4.537 9.883 ( -8.985 6.954 -2.846) 11.713 10.238 ( 3.633 0.138 4.853) 6.064 11.072 ( -1.376 -0.547 -5.559) 5.753 16.701 ( 2.493 -1.147 2.276) 3.565 17.756 ( -4.084 9.755 -1.417) 10.670 18.897 ( 0.038 -1.225 -0.937) 1.543 19.234 ( -0.234 0.100 4.140) 4.147 19.280 ( 4.255 4.225 0.739) 6.042 19.743 ( -2.664 -9.862 -3.703) 10.866 ======================= Grid point 216 (115/294) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 8.791 2.551 6.232) 11.074 2.068 ( 9.272 -1.709 8.448) 12.660 2.504 ( -7.800 -0.237 -6.606) 10.225 2.904 ( 2.049 -1.735 -2.142) 3.435 3.180 ( -1.904 2.211 -0.377) 2.943 3.401 ( -5.538 -0.860 2.519) 6.144 5.170 ( -0.816 0.957 -0.351) 1.306 5.273 ( 2.786 -5.146 1.050) 5.945 5.716 ( -2.543 -1.325 0.455) 2.903 6.791 ( 6.904 -7.163 -3.748) 10.632 6.951 ( 2.971 6.284 -6.059) 9.221 7.265 ( 2.836 -5.591 0.246) 6.274 7.582 ( 13.691 -2.294 10.934) 17.671 7.886 ( 2.054 -2.154 0.891) 3.107 8.222 ( -4.708 2.243 0.378) 5.229 9.747 ( -12.181 5.276 -5.229) 14.267 10.338 ( 4.982 -0.269 6.928) 8.538 10.959 ( -6.302 -1.556 -7.216) 9.706 16.760 ( 4.488 -1.415 2.333) 5.253 17.691 ( -9.514 4.910 -4.255) 11.521 18.891 ( 0.660 -0.555 -0.377) 0.941 19.227 ( -3.176 -2.521 6.815) 7.930 19.445 ( 7.196 8.166 2.056) 11.077 19.609 ( -0.268 -7.689 -5.901) 9.696 ======================= Grid point 217 (116/294) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 7.004 -1.506 5.812) 9.225 2.263 ( 12.031 0.837 2.112) 12.244 2.308 ( -10.707 -0.327 -5.445) 12.016 2.923 ( 2.462 -0.618 -0.777) 2.654 3.130 ( -3.739 -1.157 -2.235) 4.507 3.300 ( -7.161 -1.444 2.297) 7.658 5.199 ( 2.543 3.897 -2.105) 5.108 5.289 ( 1.664 -3.486 3.911) 5.497 5.619 ( -6.009 -1.795 -1.902) 6.554 6.856 ( 8.391 -2.815 -0.923) 8.898 7.059 ( 5.760 9.464 -7.893) 13.603 7.339 ( 9.276 -1.896 1.995) 9.675 7.789 ( 7.487 -4.888 6.628) 11.130 7.922 ( 1.457 1.414 3.672) 4.196 8.185 ( -1.686 1.033 2.111) 2.892 9.529 ( -14.644 2.801 -5.299) 15.824 10.487 ( 8.290 -0.048 6.458) 10.509 10.758 ( -9.854 -3.416 -7.022) 12.573 16.843 ( 5.523 -1.673 2.177) 6.167 17.519 ( -10.883 1.082 -4.317) 11.758 18.901 ( 1.007 0.042 0.003) 1.008 19.172 ( -4.641 -3.698 6.409) 8.735 19.499 ( -2.329 -3.738 -4.710) 6.448 19.681 ( 10.178 7.925 0.714) 12.919 ======================= Grid point 218 (117/294) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -11.562 0.688 -1.630) 11.697 2.149 ( 0.333 -2.516 3.263) 4.134 2.497 ( 13.949 2.140 -1.743) 14.219 2.950 ( 0.082 -0.458 2.145) 2.195 3.022 ( -3.734 -4.268 -2.217) 6.089 3.186 ( -6.210 -0.554 0.404) 6.247 5.254 ( -3.096 -0.645 -0.503) 3.203 5.308 ( 5.075 2.093 -0.246) 5.495 5.526 ( -2.891 0.943 0.929) 3.179 6.992 ( 8.717 0.920 2.266) 9.054 7.213 ( 7.937 9.395 -6.631) 13.972 7.504 ( 8.117 2.413 -0.667) 8.494 7.829 ( 2.641 -6.288 2.067) 7.127 7.972 ( -2.328 6.041 3.645) 7.430 8.216 ( 1.271 0.853 0.700) 1.684 9.301 ( -11.023 -0.398 -0.549) 11.043 10.459 ( -9.981 -10.375 -6.915) 15.971 10.713 ( 8.728 3.714 5.802) 11.119 16.923 ( 4.470 -1.448 0.788) 4.764 17.337 ( -8.535 -1.138 -1.196) 8.693 18.919 ( 0.827 0.105 0.153) 0.848 19.097 ( -4.470 -3.082 4.563) 7.092 19.389 ( -2.018 -5.661 -5.632) 8.236 19.924 ( 8.044 10.339 1.332) 13.167 ======================= Grid point 219 (118/294) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -11.577 3.527 1.216) 12.163 2.105 ( -4.831 -2.313 1.905) 5.684 2.676 ( 5.680 1.764 -4.156) 7.256 2.865 ( -8.437 -4.870 6.844) 11.906 3.008 ( 5.611 -0.687 -1.308) 5.803 3.115 ( -1.293 -0.257 -1.388) 1.914 5.139 ( -4.969 -3.799 -2.178) 6.623 5.442 ( 6.238 4.320 -0.031) 7.588 5.545 ( -0.612 4.322 3.638) 5.682 7.171 ( 8.007 3.243 4.194) 9.603 7.405 ( 9.039 8.366 -4.910) 13.259 7.589 ( -0.178 2.947 -0.551) 3.004 7.817 ( 1.592 -5.637 1.657) 6.088 8.025 ( -2.495 6.798 0.772) 7.282 8.211 ( -1.040 9.110 -10.431) 13.889 9.201 ( -0.975 -5.510 9.324) 10.874 10.115 ( -12.937 -13.601 -6.383) 19.827 10.937 ( 10.568 2.410 4.005) 11.555 16.948 ( -0.172 0.192 -2.713) 2.725 17.234 ( -2.936 -3.034 4.797) 6.390 18.926 ( 0.076 -0.740 0.429) 0.859 19.038 ( -2.551 -1.503 2.671) 3.988 19.258 ( -2.433 -6.875 -5.589) 9.188 20.142 ( 5.953 10.609 0.480) 12.175 ======================= Grid point 220 (119/294) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -9.478 6.048 4.594) 12.146 1.981 ( -9.919 -0.096 1.437) 10.023 2.667 ( -0.812 -5.150 -1.836) 5.527 2.712 ( -13.172 2.743 6.178) 14.805 3.080 ( -1.043 0.065 2.474) 2.685 3.169 ( 12.799 -2.268 -3.589) 13.485 5.030 ( -2.635 -2.920 -1.829) 4.337 5.542 ( 1.360 -0.386 4.432) 4.652 5.635 ( 2.724 8.900 0.236) 9.310 7.337 ( 6.001 2.094 2.227) 6.735 7.526 ( -0.322 3.296 -2.121) 3.933 7.600 ( -2.601 2.984 -1.612) 4.274 7.809 ( 1.673 0.820 2.373) 3.017 7.984 ( -3.973 5.869 -2.949) 7.676 8.337 ( 8.519 17.637 -14.968) 24.651 9.256 ( 5.645 -9.342 16.597) 19.864 9.717 ( -14.081 -16.527 -5.463) 22.389 11.122 ( 8.336 0.171 0.480) 8.351 16.910 ( -2.773 2.051 -2.772) 4.425 17.214 ( -1.001 -4.173 6.664) 7.926 18.922 ( 0.706 -1.511 1.298) 2.113 19.013 ( -1.177 -1.156 1.477) 2.214 19.124 ( -2.192 -5.903 -4.877) 7.965 20.317 ( 4.262 9.456 -1.172) 10.439 ======================= Grid point 223 (120/294) ======================= q-point: ( 0.17 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -8.565 5.735 3.986) 11.052 2.061 ( -3.952 6.227 5.905) 9.448 2.461 ( -10.123 0.916 9.444) 13.874 2.703 ( 3.687 2.629 -1.782) 4.867 3.041 ( -3.736 -0.580 2.464) 4.512 3.354 ( 9.605 -4.681 -0.896) 10.723 5.076 ( 4.316 2.941 3.007) 6.027 5.507 ( -1.450 -2.995 -1.430) 3.622 5.832 ( -1.472 -3.069 0.073) 3.405 7.148 ( -11.639 4.780 -11.839) 17.276 7.236 ( -1.795 -6.766 -4.059) 8.092 7.553 ( 1.689 0.669 -1.226) 2.192 7.979 ( -0.546 -6.285 -2.130) 6.658 8.210 ( 3.061 1.743 -4.159) 5.450 8.509 ( -14.167 -6.780 1.813) 15.810 9.209 ( 11.025 9.039 -3.444) 14.667 9.827 ( 15.367 0.861 19.241) 24.639 10.916 ( -5.855 -3.753 -8.419) 10.920 16.916 ( -4.656 -1.552 3.095) 5.802 17.147 ( 1.658 4.306 0.763) 4.677 18.942 ( 0.608 3.157 0.380) 3.238 18.999 ( 0.680 -1.590 -0.086) 1.732 19.093 ( 3.030 0.183 6.737) 7.389 20.405 ( -1.363 -3.021 -8.420) 9.048 ======================= Grid point 224 (121/294) ======================= q-point: ( 0.25 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -8.861 8.222 5.237) 13.174 2.022 ( -13.009 5.466 8.779) 16.619 2.429 ( -0.047 0.871 5.832) 5.897 2.811 ( 5.847 3.934 -0.211) 7.051 2.991 ( -3.385 -0.565 2.836) 4.452 3.441 ( 6.855 -4.378 -0.609) 8.157 5.204 ( 4.851 3.287 2.346) 6.312 5.443 ( -1.567 -2.985 -0.960) 3.505 5.753 ( -2.418 -6.368 -0.149) 6.813 6.960 ( -7.490 3.055 -9.935) 12.812 7.090 ( -3.443 -8.118 -5.559) 10.424 7.566 ( 0.026 -0.462 -1.202) 1.288 7.891 ( -1.487 -7.765 -0.169) 7.908 8.159 ( -13.806 -6.153 0.504) 15.123 8.260 ( -1.785 -2.213 0.690) 2.925 9.492 ( 15.208 8.996 -5.293) 18.445 10.167 ( 8.796 3.457 14.019) 16.907 10.754 ( -2.112 -2.489 -6.787) 7.532 16.829 ( -5.416 -1.653 2.204) 6.077 17.274 ( 5.076 7.845 2.955) 9.800 18.965 ( -0.030 -0.564 -1.675) 1.767 19.024 ( 1.665 4.262 0.971) 4.678 19.180 ( 1.856 -0.160 7.336) 7.569 20.265 ( -2.930 -7.496 -9.462) 12.422 ======================= Grid point 225 (122/294) ======================= q-point: ( 0.33 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -7.302 7.358 5.858) 11.907 1.901 ( -13.557 3.225 12.234) 18.544 2.508 ( 4.835 1.373 0.595) 5.061 2.941 ( 1.909 3.787 1.665) 4.556 2.969 ( 1.576 0.741 1.769) 2.483 3.487 ( 3.813 -3.460 -0.337) 5.160 5.274 ( 1.585 -1.646 -1.760) 2.884 5.407 ( -1.233 -1.609 2.550) 3.258 5.660 ( -0.933 -4.705 -0.902) 4.880 6.842 ( -1.602 -3.083 -7.125) 7.927 6.942 ( -3.040 -2.949 -3.284) 5.359 7.496 ( -7.027 -6.031 3.559) 9.920 7.748 ( -7.760 -10.331 1.082) 12.965 7.895 ( -7.229 -2.748 -1.467) 7.871 8.270 ( 2.111 1.105 -2.427) 3.401 9.776 ( 13.650 6.253 -3.125) 15.336 10.262 ( -5.861 2.687 3.254) 7.223 10.799 ( 9.705 0.755 -0.010) 9.735 16.750 ( -4.275 -1.224 2.386) 5.047 17.479 ( 7.224 10.095 2.542) 12.671 18.938 ( -0.412 -1.484 -1.797) 2.366 19.112 ( 1.761 5.556 2.132) 6.206 19.232 ( -0.119 -0.089 5.121) 5.123 20.066 ( -3.880 -10.511 -8.671) 14.167 ======================= Grid point 226 (123/294) ======================= q-point: ( 0.42 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -4.286 4.765 6.640) 9.228 1.819 ( -6.916 -0.172 12.308) 14.119 2.596 ( 4.177 2.235 -2.610) 5.408 2.932 ( -1.369 -1.319 0.542) 1.977 3.088 ( 4.085 4.621 1.586) 6.369 3.503 ( 1.350 -1.434 -0.049) 1.971 5.241 ( 0.588 -4.089 -2.373) 4.764 5.346 ( -3.977 -5.511 2.341) 7.188 5.649 ( 1.708 0.720 -0.583) 1.943 6.732 ( -0.107 -7.703 -5.342) 9.375 6.951 ( 3.516 3.000 2.740) 5.373 7.283 ( -11.844 -10.333 8.821) 18.024 7.522 ( -7.630 -5.906 -5.922) 11.321 7.828 ( -0.082 -1.747 -0.624) 1.857 8.303 ( 1.491 1.963 -2.062) 3.214 9.994 ( 8.513 2.019 0.901) 8.795 10.181 ( -6.267 4.178 -1.986) 7.790 10.966 ( 7.659 1.603 -0.573) 7.846 16.700 ( -2.363 -1.115 2.567) 3.663 17.704 ( 6.556 10.728 -0.055) 12.572 18.908 ( -0.428 -1.265 -1.362) 1.908 19.193 ( -0.649 4.930 2.435) 5.537 19.249 ( 0.552 -0.995 3.892) 4.055 19.857 ( -3.434 -10.378 -6.487) 12.712 ======================= Grid point 227 (124/294) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -1.475 1.286 6.324) 6.620 1.843 ( 2.910 -3.335 10.437) 11.337 2.639 ( 0.245 2.855 -4.282) 5.152 2.890 ( -1.229 -1.882 -1.333) 2.613 3.181 ( 1.774 2.640 1.290) 3.432 3.504 ( -0.536 0.233 -0.438) 0.730 5.203 ( 0.785 -5.228 -0.720) 5.335 5.248 ( -3.042 -2.592 1.288) 4.199 5.692 ( 2.365 0.427 0.877) 2.558 6.654 ( 1.455 -5.634 -2.421) 6.303 7.018 ( -5.286 -1.682 3.409) 6.511 7.184 ( 6.706 -1.549 8.108) 10.635 7.326 ( -5.463 -5.310 -3.774) 8.502 7.823 ( 1.297 -1.466 -0.083) 1.959 8.321 ( -0.472 2.175 -1.387) 2.622 10.041 ( -5.235 1.147 1.905) 5.688 10.187 ( 4.292 2.814 -2.585) 5.747 11.044 ( 1.621 1.224 -3.506) 4.052 16.685 ( -0.064 -1.226 2.564) 2.843 17.852 ( 1.142 8.406 -4.239) 9.483 18.887 ( -0.265 -0.549 -0.593) 0.851 19.214 ( 0.742 2.014 -1.016) 2.375 19.293 ( 0.962 -2.102 7.981) 8.309 19.699 ( -2.455 -5.409 -4.312) 7.340 ======================= Grid point 228 (125/294) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 5.212 -1.504 2.905) 6.153 1.948 ( 7.447 -5.987 9.046) 13.159 2.591 ( -5.588 2.251 -4.470) 7.501 2.863 ( 0.384 0.184 -1.518) 1.576 3.204 ( -0.644 -0.384 -0.317) 0.814 3.474 ( -2.869 -0.098 -1.168) 3.099 5.158 ( -0.231 -1.958 -0.610) 2.064 5.241 ( 1.033 0.045 2.498) 2.704 5.726 ( 0.520 -1.203 1.177) 1.762 6.651 ( 3.586 -1.999 0.229) 4.112 6.955 ( -0.939 2.496 -1.181) 2.917 7.184 ( -0.411 -7.846 1.198) 7.948 7.434 ( 11.441 2.206 9.072) 14.767 7.838 ( 1.996 -1.386 0.782) 2.553 8.309 ( -2.783 2.101 -0.435) 3.514 9.938 ( -9.324 2.809 -2.674) 10.099 10.272 ( 5.416 -0.411 0.962) 5.516 10.999 ( -4.303 -0.040 -5.358) 6.872 16.706 ( 2.294 -1.437 2.481) 3.672 17.827 ( -6.250 3.328 -7.566) 10.363 18.883 ( 0.094 0.292 0.257) 0.400 19.258 ( 2.158 -0.590 0.769) 2.366 19.323 ( 3.162 -5.432 3.904) 7.399 19.640 ( -1.685 4.047 0.063) 4.384 ======================= Grid point 229 (126/294) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 10.191 -3.702 -0.661) 10.862 2.071 ( 9.610 -7.350 6.091) 13.545 2.467 ( -8.926 2.451 -2.664) 9.632 2.883 ( 1.741 1.643 -1.322) 2.734 3.152 ( -2.890 -3.242 -1.486) 4.590 3.396 ( -5.102 -0.498 -1.506) 5.342 5.171 ( 2.065 3.134 -1.465) 4.029 5.288 ( 1.357 0.476 4.016) 4.265 5.678 ( -4.341 -2.340 -0.775) 4.992 6.739 ( 5.895 2.468 2.545) 6.878 7.026 ( 4.244 8.071 -4.453) 10.148 7.185 ( 7.233 -6.199 5.470) 10.985 7.670 ( 8.609 -0.721 7.433) 11.397 7.884 ( 4.440 -0.556 3.092) 5.439 8.271 ( -4.164 2.025 0.881) 4.713 9.754 ( -13.363 2.958 -5.883) 14.898 10.375 ( 7.331 -1.746 2.055) 7.811 10.848 ( -8.750 -1.773 -5.330) 10.398 16.760 ( 4.257 -1.653 2.361) 5.141 17.653 ( -9.573 -0.946 -7.877) 12.433 18.897 ( 0.397 0.964 0.729) 1.272 19.236 ( -3.342 -4.679 5.677) 8.080 19.337 ( 5.230 -6.211 -7.187) 10.844 19.742 ( 2.401 11.766 5.799) 13.335 ======================= Grid point 230 (127/294) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 8.531 -6.925 -1.102) 11.043 2.183 ( 6.757 -4.921 -1.221) 8.448 2.359 ( -2.982 2.218 1.202) 3.906 2.929 ( 2.695 1.843 -1.189) 3.475 3.040 ( -4.530 -5.551 -0.682) 7.197 3.291 ( -6.609 0.820 -1.534) 6.834 5.257 ( 3.696 5.955 -3.058) 7.647 5.307 ( -2.136 -1.832 4.188) 5.046 5.583 ( -3.182 0.418 -0.819) 3.312 6.910 ( 7.142 5.543 5.136) 10.398 7.146 ( 5.774 6.273 -3.819) 9.342 7.367 ( 12.054 1.817 3.917) 12.804 7.757 ( 2.143 -3.319 2.594) 4.727 8.013 ( 5.800 1.277 4.860) 7.674 8.238 ( -2.723 1.665 2.560) 4.092 9.505 ( -14.785 2.345 -7.009) 16.530 10.439 ( -0.429 -8.453 -0.147) 8.465 10.690 ( -1.946 1.924 -1.485) 3.113 16.836 ( 5.124 -1.686 1.953) 5.737 17.439 ( -8.523 -2.901 -5.736) 10.676 18.918 ( 0.275 1.147 0.549) 1.301 19.158 ( -3.893 -4.131 2.763) 6.313 19.285 ( 1.205 -7.143 -5.516) 9.105 19.961 ( 4.788 13.116 5.223) 14.908 ======================= Grid point 231 (128/294) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 1.820 -6.964 -0.102) 7.199 2.132 ( -4.579 -0.052 -1.646) 4.866 2.479 ( 12.774 -2.340 -1.443) 13.067 2.907 ( -3.048 -5.786 -0.361) 6.550 2.990 ( 1.695 1.805 0.932) 2.646 3.182 ( -7.364 1.942 -1.170) 7.705 5.186 ( -6.172 -3.837 -1.396) 7.400 5.400 ( 5.010 5.519 0.904) 7.509 5.597 ( 0.916 4.577 0.462) 4.691 7.115 ( 6.634 5.420 5.997) 10.457 7.300 ( 8.994 5.911 -3.138) 11.210 7.577 ( 5.863 2.905 2.426) 6.978 7.768 ( 1.951 -0.618 1.562) 2.575 8.113 ( 1.283 5.205 0.977) 5.449 8.240 ( -1.197 2.142 -0.535) 2.512 9.271 ( -9.438 -0.722 -4.123) 10.325 10.185 ( -13.253 -13.488 0.012) 18.909 10.816 ( 9.209 3.683 0.958) 9.965 16.906 ( 3.661 -1.126 0.609) 3.878 17.277 ( -4.496 -3.400 -1.769) 5.908 18.927 ( -0.394 0.415 -0.339) 0.665 19.081 ( -2.845 -2.344 1.043) 3.831 19.185 ( -1.337 -7.613 -3.138) 8.342 20.180 ( 4.196 12.035 2.920) 13.075 ======================= Grid point 232 (129/294) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -3.754 -1.898 1.596) 4.499 2.068 ( -2.511 -1.635 0.340) 3.015 2.585 ( 4.532 -4.837 -3.943) 7.712 2.877 ( 4.090 -2.810 2.507) 5.560 3.014 ( -3.136 3.501 0.270) 4.708 3.098 ( -1.819 -0.103 -0.220) 1.835 5.054 ( -4.610 -3.105 -0.772) 5.612 5.519 ( 3.807 1.634 1.580) 4.434 5.680 ( 2.119 7.646 -0.578) 7.955 7.270 ( 4.689 1.643 2.841) 5.724 7.489 ( 7.691 5.304 -2.670) 9.717 7.611 ( 0.091 -2.555 1.174) 2.813 7.851 ( 0.921 5.926 3.874) 7.140 8.134 ( -7.018 4.571 0.719) 8.406 8.281 ( 6.087 13.567 -12.976) 19.735 9.165 ( 1.469 -6.440 1.577) 6.792 9.819 ( -16.205 -15.766 5.415) 23.248 10.996 ( 8.261 2.449 -0.533) 8.633 16.932 ( 0.292 0.282 -0.524) 0.663 17.211 ( -0.129 -3.664 1.562) 3.985 18.910 ( -0.395 -0.971 -0.767) 1.299 19.039 ( -1.929 -1.461 2.003) 3.141 19.075 ( -1.665 -5.577 -2.439) 6.310 20.348 ( 2.717 9.568 0.106) 9.946 ======================= Grid point 236 (130/294) ======================= q-point: ( 0.17 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 1.596 0.388 0.373) 1.685 2.137 ( 1.664 0.415 4.922) 5.212 2.568 ( 5.093 2.777 0.208) 5.805 2.782 ( -11.732 1.649 -0.489) 11.857 3.085 ( -0.806 -2.245 1.400) 2.766 3.161 ( 8.276 -2.199 2.601) 8.949 5.057 ( 3.099 2.145 3.446) 5.106 5.471 ( -0.014 -2.470 -4.486) 5.121 5.815 ( -1.124 -4.910 -0.601) 5.073 7.204 ( -4.951 -2.334 -6.886) 8.796 7.328 ( -11.080 4.195 -10.103) 15.570 7.545 ( -0.512 1.936 -0.860) 2.179 7.879 ( 1.750 -7.968 -5.003) 9.569 8.142 ( 4.885 1.423 -2.305) 5.586 8.603 ( -2.529 2.723 -10.604) 11.236 9.175 ( -2.528 -6.674 12.338) 14.253 9.720 ( 14.888 6.778 16.959) 23.563 10.955 ( -6.860 -0.867 -6.334) 9.377 16.983 ( -3.098 -1.668 2.434) 4.279 17.134 ( 3.606 2.116 -0.362) 4.196 18.965 ( 1.643 -2.362 2.085) 3.553 18.967 ( -0.047 1.949 0.608) 2.043 19.109 ( 2.128 3.624 5.860) 7.212 20.361 ( -3.213 -3.015 -8.531) 9.601 ======================= Grid point 237 (131/294) ======================= q-point: ( 0.25 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -2.161 4.122 2.678) 5.370 2.197 ( 1.412 1.835 3.141) 3.902 2.554 ( -12.724 -0.593 4.854) 13.632 2.735 ( 7.148 4.623 -3.404) 9.168 3.046 ( -2.477 -1.921 1.896) 3.664 3.287 ( 7.908 -2.972 2.261) 8.745 5.159 ( 4.349 1.735 1.099) 4.809 5.426 ( -0.209 -1.281 -1.800) 2.219 5.720 ( -2.140 -8.183 -0.754) 8.492 7.013 ( -7.516 -2.502 -10.862) 13.444 7.145 ( -9.216 2.773 -6.410) 11.564 7.561 ( 0.306 2.441 -2.144) 3.263 7.829 ( 1.223 -5.642 -0.601) 5.805 8.183 ( 1.648 0.134 -2.685) 3.153 8.391 ( -14.275 -9.780 2.716) 17.516 9.298 ( 12.699 2.532 0.506) 12.959 10.119 ( 12.900 7.956 13.714) 20.440 10.777 ( -7.309 -1.994 -6.600) 10.047 16.911 ( -4.786 -1.370 1.284) 5.141 17.253 ( 6.287 4.426 1.954) 7.933 18.952 ( -0.386 -1.302 -0.889) 1.623 19.024 ( 2.988 1.699 2.233) 4.099 19.222 ( 1.307 4.385 7.528) 8.810 20.195 ( -4.442 -6.595 -10.139) 12.885 ======================= Grid point 238 (132/294) ======================= q-point: ( 0.33 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -6.198 4.126 3.083) 8.059 2.211 ( -10.272 4.793 5.792) 12.729 2.422 ( 1.590 -4.043 0.006) 4.345 2.894 ( 7.531 5.043 -1.370) 9.167 3.001 ( -2.545 -1.142 2.167) 3.532 3.384 ( 5.807 -2.692 1.709) 6.625 5.203 ( 1.979 -1.899 -3.690) 4.598 5.433 ( -0.476 -0.297 3.746) 3.788 5.612 ( -0.199 -6.013 -1.977) 6.332 6.821 ( -5.687 -2.690 -7.595) 9.862 7.011 ( -6.339 3.749 -4.545) 8.654 7.552 ( -2.693 0.667 -1.340) 3.081 7.768 ( -3.703 -7.711 4.198) 9.529 8.044 ( -15.192 -7.532 1.323) 17.008 8.212 ( 2.783 -1.899 -1.335) 3.624 9.566 ( 15.839 4.259 -2.509) 16.592 10.372 ( -0.524 3.554 6.318) 7.268 10.686 ( 4.447 1.446 -2.294) 5.208 16.829 ( -4.952 -1.119 2.076) 5.485 17.436 ( 8.661 6.336 0.863) 10.766 18.925 ( -0.677 -1.161 -1.169) 1.781 19.115 ( 4.105 0.874 3.963) 5.772 19.310 ( -1.575 5.716 6.087) 8.497 19.979 ( -4.796 -9.352 -10.500) 14.856 ======================= Grid point 239 (133/294) ======================= q-point: ( 0.42 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -5.667 1.411 2.377) 6.305 2.053 ( -13.782 -0.434 7.130) 15.524 2.503 ( 7.399 1.139 -1.558) 7.647 2.947 ( -1.492 -2.522 1.150) 3.148 3.062 ( 5.156 5.904 -0.140) 7.840 3.445 ( 3.877 -2.211 0.232) 4.469 5.177 ( 0.711 -2.252 -2.795) 3.659 5.373 ( -3.895 -6.782 2.702) 8.274 5.618 ( 2.729 2.021 -2.055) 3.969 6.691 ( -3.617 -1.961 -3.123) 5.165 6.978 ( -0.660 5.523 -0.299) 5.570 7.438 ( -10.607 -7.200 7.393) 14.798 7.578 ( -9.974 -8.360 -0.326) 13.019 7.845 ( -4.263 -1.020 -0.669) 4.434 8.253 ( 4.031 0.039 -2.129) 4.559 9.829 ( 13.540 2.991 -2.336) 14.062 10.303 ( -6.930 -0.416 -0.138) 6.943 10.861 ( 8.880 4.645 0.859) 10.058 16.759 ( -4.105 -1.200 2.736) 5.077 17.647 ( 9.493 7.086 -2.246) 12.057 18.899 ( -0.580 -0.785 -0.759) 1.236 19.210 ( 4.010 -1.819 6.040) 7.475 19.345 ( -5.753 7.398 3.851) 10.132 19.761 ( -2.534 -9.780 -9.133) 13.619 ======================= Grid point 240 (134/294) ======================= q-point: ( 0.50 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -1.664 -2.153 2.607) 3.768 1.882 ( -8.484 -4.748 5.775) 11.308 2.617 ( 4.056 3.999 -1.416) 5.869 2.902 ( -2.112 -1.304 0.540) 2.540 3.171 ( 2.797 2.712 -0.120) 3.897 3.472 ( 2.621 -1.739 -2.422) 3.970 5.165 ( 0.381 -0.698 0.381) 0.881 5.269 ( -2.796 -4.907 1.458) 5.833 5.662 ( 2.019 1.359 -1.597) 2.911 6.629 ( -2.087 0.369 0.670) 2.223 7.078 ( 3.148 5.148 3.695) 7.075 7.212 ( -10.262 -9.311 9.522) 16.812 7.367 ( -7.181 -4.118 -2.668) 8.697 7.810 ( -0.562 0.298 -0.059) 0.639 8.304 ( 3.011 0.694 -1.878) 3.615 10.017 ( 8.457 0.133 -0.447) 8.470 10.197 ( -4.575 0.313 -2.462) 5.204 11.007 ( 3.880 3.978 -1.605) 5.784 16.710 ( -2.454 -1.403 2.947) 4.083 17.818 ( 6.612 5.320 -6.742) 10.838 18.886 ( -0.210 -0.053 -0.009) 0.217 19.258 ( -0.595 -1.615 2.036) 2.666 19.317 ( -4.309 0.517 6.015) 7.418 19.646 ( 1.285 -2.548 -4.492) 5.322 ======================= Grid point 241 (135/294) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -2.078 -6.007 1.476) 6.526 1.826 ( 4.401 -8.292 4.815) 10.550 2.663 ( -2.096 3.369 -2.095) 4.487 2.877 ( -1.155 1.569 0.440) 1.997 3.195 ( 0.060 -1.581 -0.936) 1.839 3.468 ( 0.948 -1.047 -4.287) 4.514 5.168 ( -1.284 0.992 1.874) 2.479 5.234 ( 1.124 -0.636 1.165) 1.739 5.697 ( 2.224 -0.700 0.460) 2.376 6.644 ( -0.127 3.869 4.171) 5.690 7.013 ( -5.820 -2.643 2.593) 6.897 7.154 ( -2.791 -6.176 2.112) 7.099 7.368 ( 7.001 4.879 7.360) 11.269 7.815 ( 0.486 0.332 0.520) 0.785 8.334 ( 0.888 0.869 -1.206) 1.731 10.055 ( -4.056 -1.740 1.543) 4.675 10.173 ( 4.717 0.965 -5.635) 7.411 11.035 ( -2.141 2.490 -3.500) 4.800 16.692 ( -0.264 -1.599 2.878) 3.303 17.846 ( -0.463 0.630 -10.618) 10.646 18.891 ( 0.114 0.861 0.779) 1.167 19.219 ( -1.188 0.391 -1.971) 2.334 19.297 ( -0.262 -6.366 5.503) 8.419 19.688 ( 2.174 5.440 2.608) 6.413 ======================= Grid point 242 (136/294) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 5.794 -8.305 -2.507) 10.432 1.872 ( 8.510 -11.326 5.170) 15.081 2.595 ( -6.303 1.323 -2.858) 7.046 2.887 ( -0.411 2.207 -0.318) 2.267 3.144 ( -1.678 -4.298 -1.655) 4.901 3.434 ( -1.601 0.728 -3.802) 4.189 5.186 ( 0.090 4.545 -0.291) 4.556 5.281 ( 2.593 0.377 2.291) 3.481 5.701 ( -1.272 -2.366 0.631) 2.759 6.752 ( 2.156 8.029 7.206) 11.001 7.002 ( 3.781 3.071 0.359) 4.884 7.088 ( 0.506 -6.462 4.877) 8.111 7.597 ( 8.034 4.129 7.716) 11.880 7.840 ( 1.995 -0.017 1.507) 2.500 8.335 ( -1.280 0.950 -0.034) 1.594 9.929 ( -9.534 0.668 -3.983) 10.354 10.242 ( 6.962 -1.654 -2.745) 7.665 10.947 ( -7.539 0.496 -3.493) 8.324 16.708 ( 2.072 -1.741 2.739) 3.850 17.701 ( -6.103 -3.848 -11.309) 13.414 18.912 ( 0.161 1.612 1.295) 2.074 19.200 ( 1.283 -2.968 -4.341) 5.413 19.259 ( -1.024 -4.281 3.649) 5.718 19.835 ( 3.434 9.632 6.692) 12.221 ======================= Grid point 243 (137/294) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 11.469 -8.968 -6.138) 15.800 1.949 ( 11.069 -12.487 4.645) 17.321 2.468 ( -6.891 -0.665 -3.456) 7.738 2.898 ( 1.240 0.369 -1.601) 2.059 3.046 ( -3.278 -5.696 -1.062) 6.657 3.390 ( -4.245 3.952 -2.155) 6.187 5.248 ( 1.973 5.619 -2.815) 6.587 5.330 ( 1.125 -0.684 2.897) 3.182 5.631 ( -3.706 -0.684 -0.875) 3.869 6.941 ( 3.611 10.101 9.726) 14.479 7.092 ( 3.366 0.528 0.299) 3.420 7.208 ( 12.995 2.473 5.273) 14.241 7.737 ( 1.305 1.364 3.282) 3.786 7.930 ( 6.983 0.142 4.185) 8.142 8.318 ( -2.416 1.314 1.834) 3.306 9.711 ( -13.752 1.916 -9.040) 16.568 10.321 ( 6.350 -4.692 -0.816) 7.937 10.787 ( -8.897 0.445 -1.346) 9.009 16.758 ( 4.019 -1.774 2.583) 5.096 17.479 ( -6.886 -5.747 -9.452) 13.030 18.937 ( -0.204 1.908 0.998) 2.163 19.139 ( -0.334 -4.008 -5.638) 6.926 19.226 ( -1.364 -4.664 3.604) 6.050 20.044 ( 4.331 11.838 6.355) 14.117 ======================= Grid point 244 (138/294) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 11.496 -9.286 -6.152) 16.008 2.048 ( 10.659 -9.794 1.364) 14.540 2.344 ( -1.685 -3.772 -3.336) 5.310 2.894 ( -1.174 -3.891 -2.175) 4.609 2.960 ( 0.854 -2.249 0.508) 2.459 3.338 ( -7.028 6.008 -0.801) 9.280 5.232 ( -4.265 -3.252 -1.700) 5.626 5.384 ( 3.404 3.450 0.387) 4.862 5.618 ( 0.786 4.981 -1.525) 5.268 7.130 ( 3.950 3.603 6.247) 8.223 7.208 ( 6.604 6.508 3.498) 9.909 7.488 ( 11.230 3.739 3.941) 12.475 7.765 ( 0.657 2.998 1.263) 3.319 8.062 ( 6.294 0.014 0.963) 6.367 8.313 ( -2.373 2.004 4.213) 5.234 9.425 ( -14.584 1.713 -12.948) 19.578 10.253 ( -6.990 -12.559 3.473) 14.787 10.755 ( 2.797 6.025 0.280) 6.649 16.831 ( 4.784 -1.576 2.272) 5.526 17.283 ( -4.247 -5.486 -6.360) 9.412 18.943 ( -1.250 1.168 -0.976) 1.970 19.067 ( -0.246 -2.572 -4.368) 5.076 19.164 ( -2.946 -5.894 4.228) 7.829 20.252 ( 3.460 11.488 3.777) 12.578 ======================= Grid point 245 (139/294) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 8.319 -8.151 -3.331) 12.114 2.066 ( 1.007 -4.982 -2.117) 5.506 2.359 ( 11.279 -7.529 -3.061) 13.903 2.812 ( -1.091 -4.317 0.822) 4.528 3.003 ( 4.204 -0.665 -0.337) 4.270 3.262 ( -9.464 6.610 0.251) 11.547 5.104 ( -5.405 -3.684 0.110) 6.542 5.469 ( 4.189 1.161 -1.549) 4.615 5.701 ( 2.692 7.304 -1.850) 8.001 7.238 ( 4.335 0.578 1.858) 4.752 7.412 ( 6.522 6.976 3.584) 10.200 7.586 ( 0.522 -2.977 1.124) 3.224 7.897 ( 4.020 7.656 3.018) 9.159 8.163 ( 7.004 3.654 -5.705) 9.744 8.315 ( -3.920 4.633 2.351) 6.508 9.156 ( -8.359 -0.249 -11.421) 14.155 9.974 ( -14.058 -16.017 10.104) 23.585 10.913 ( 6.538 7.007 -0.063) 9.584 16.901 ( 3.476 -1.025 1.965) 4.122 17.171 ( -0.234 -4.240 -3.445) 5.468 18.908 ( -1.421 -0.382 -2.374) 2.793 19.037 ( 0.108 -0.928 -1.527) 1.790 19.082 ( -3.577 -4.989 4.203) 7.440 20.403 ( 1.569 8.977 0.461) 9.125 ======================= Grid point 248 (140/294) ======================= q-point: ( 0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 9.118 -4.718 -4.013) 11.023 2.075 ( 8.145 -2.744 3.515) 9.286 2.457 ( 9.686 1.085 -3.910) 10.502 2.836 ( 3.573 -4.259 1.676) 5.807 3.062 ( 1.236 -1.852 0.259) 2.241 3.200 ( -8.365 4.211 3.757) 10.091 5.065 ( 1.054 1.687 4.250) 4.692 5.417 ( 1.021 -0.623 -5.350) 5.482 5.772 ( -0.942 -6.294 -1.135) 6.465 7.238 ( -4.697 -0.375 -6.300) 7.867 7.438 ( -5.486 3.662 -10.464) 12.370 7.575 ( -0.357 0.064 -3.891) 3.908 7.766 ( -2.057 -4.150 -3.521) 5.818 8.048 ( 6.091 1.364 -1.798) 6.496 8.565 ( 1.895 7.758 -14.787) 16.805 9.265 ( -9.372 -18.348 19.219) 28.175 9.698 ( 11.294 13.101 15.075) 22.944 11.035 ( -7.425 0.600 -5.543) 9.285 16.997 ( 0.300 -0.766 -3.783) 3.872 17.082 ( 4.176 -1.011 4.751) 6.405 18.936 ( 0.538 -2.585 2.493) 3.631 18.988 ( -0.335 1.124 0.448) 1.255 19.151 ( 2.569 5.334 5.410) 8.020 20.353 ( -5.032 -2.307 -7.535) 9.350 ======================= Grid point 249 (141/294) ======================= q-point: ( 0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 9.665 -0.453 -1.524) 9.795 2.166 ( 3.094 -2.597 4.181) 5.814 2.611 ( 9.794 3.856 -5.764) 12.000 2.778 ( -8.873 -0.844 1.522) 9.042 3.051 ( -0.154 -2.350 1.286) 2.683 3.197 ( 2.085 -0.271 4.474) 4.943 5.130 ( 1.856 1.912 1.399) 3.010 5.408 ( 1.080 1.273 -1.813) 2.464 5.663 ( -2.167 -9.569 -0.976) 9.860 7.069 ( -8.391 -1.205 -7.844) 11.550 7.283 ( -8.920 4.504 -11.001) 14.862 7.573 ( 0.247 4.002 -3.597) 5.387 7.750 ( 2.840 -2.227 0.463) 3.639 8.130 ( 3.524 -0.793 -0.654) 3.670 8.492 ( -6.953 -3.613 -5.745) 9.716 9.169 ( 3.335 -7.852 10.655) 13.650 10.092 ( 11.670 12.182 12.500) 20.996 10.849 ( -8.906 -2.904 -6.584) 11.450 16.960 ( -1.983 -0.267 -2.127) 2.920 17.189 ( 6.122 0.439 4.127) 7.397 18.937 ( 0.480 -1.856 0.727) 2.050 19.005 ( 1.481 0.489 1.469) 2.142 19.284 ( 2.692 5.685 5.784) 8.546 20.176 ( -6.860 -4.259 -8.299) 11.579 ======================= Grid point 250 (142/294) ======================= q-point: ( 0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 1.728 2.253 1.258) 3.105 2.210 ( 5.990 -2.028 1.153) 6.428 2.563 ( -13.378 -1.080 -0.726) 13.441 2.797 ( 7.870 4.860 -1.428) 9.359 3.033 ( -0.929 -0.881 1.392) 1.891 3.275 ( 5.569 -2.979 2.986) 6.986 5.158 ( 0.386 1.316 -2.390) 2.756 5.460 ( 0.530 1.242 3.827) 4.058 5.532 ( -0.130 -8.079 -2.590) 8.485 6.888 ( -8.183 1.293 -5.580) 9.989 7.132 ( -7.496 5.024 -7.650) 11.830 7.589 ( -1.001 4.236 -3.670) 5.694 7.775 ( 0.272 -2.644 3.723) 4.574 8.143 ( 1.539 -2.920 -0.363) 3.321 8.223 ( -14.792 -10.244 2.174) 18.124 9.332 ( 14.314 0.557 0.985) 14.358 10.430 ( 6.515 9.753 8.714) 14.612 10.649 ( -4.040 -4.082 -5.723) 8.108 16.904 ( -3.817 -0.524 0.494) 3.884 17.339 ( 8.596 2.358 1.261) 9.003 18.923 ( -0.622 -0.829 -0.382) 1.105 19.066 ( 4.059 -1.071 3.698) 5.595 19.405 ( 2.040 5.304 4.053) 6.980 19.954 ( -8.807 -5.036 -8.095) 12.979 ======================= Grid point 251 (143/294) ======================= q-point: ( 0.42 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -6.266 -1.373 -0.161) 6.417 2.312 ( -14.383 -3.456 1.065) 14.831 2.372 ( 9.330 3.885 1.954) 10.294 2.923 ( 3.438 0.081 -0.054) 3.439 3.050 ( 2.146 4.455 -0.301) 4.954 3.339 ( 5.177 -4.626 0.197) 6.945 5.159 ( -0.289 2.266 -1.668) 2.828 5.369 ( -3.112 -8.979 1.484) 9.618 5.581 ( 3.489 3.470 -1.313) 5.093 6.772 ( -6.588 4.010 -0.953) 7.771 7.059 ( -3.412 6.426 -3.378) 8.022 7.554 ( -4.979 1.054 -1.491) 5.303 7.697 ( -10.692 -9.000 9.233) 16.751 7.931 ( -9.299 -5.061 0.640) 10.606 8.160 ( 4.268 -1.643 -1.989) 4.987 9.596 ( 15.905 2.535 -2.798) 16.347 10.393 ( -7.282 -4.059 -1.517) 8.473 10.776 ( 9.579 6.993 2.498) 12.120 16.836 ( -4.539 -1.082 2.283) 5.195 17.517 ( 10.146 3.387 -2.734) 11.040 18.904 ( -0.812 -0.165 -0.103) 0.835 19.148 ( 4.693 -2.999 5.090) 7.545 19.502 ( 2.019 4.778 2.070) 5.585 19.707 ( -10.538 -4.095 -6.462) 13.022 ======================= Grid point 252 (144/294) ======================= q-point: (-0.50 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -5.149 -4.908 -1.131) 7.203 2.047 ( -13.672 -5.630 1.602) 14.872 2.569 ( 7.100 5.103 1.932) 8.954 2.930 ( -1.232 -0.273 1.622) 2.055 3.146 ( 3.264 3.667 -1.688) 5.191 3.359 ( 4.750 -5.116 -3.708) 7.905 5.178 ( 0.065 3.011 0.232) 3.021 5.266 ( -2.054 -5.644 2.166) 6.385 5.635 ( 1.616 2.272 -3.167) 4.219 6.737 ( -5.229 6.908 3.822) 9.470 7.105 ( 1.700 7.143 0.627) 7.370 7.405 ( -16.058 -11.506 13.271) 23.799 7.442 ( -7.540 -2.290 -2.133) 8.164 7.843 ( -2.356 1.302 -0.083) 2.693 8.218 ( 5.551 -0.943 -2.222) 6.053 9.833 ( 12.927 2.097 -4.797) 13.947 10.243 ( -4.636 -5.458 -0.659) 7.191 10.974 ( 5.579 6.472 0.129) 8.545 16.769 ( -4.053 -1.567 3.083) 5.328 17.676 ( 9.158 2.205 -7.414) 11.988 18.896 ( -0.507 0.519 0.692) 1.003 19.211 ( 3.539 -4.531 4.290) 7.173 19.469 ( -7.707 -4.965 -6.204) 11.070 19.601 ( 0.184 7.566 4.846) 8.986 ======================= Grid point 253 (145/294) ======================= q-point: (-0.42 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -0.709 -9.591 0.095) 9.618 1.793 ( -9.644 -8.432 0.050) 12.810 2.685 ( 1.606 2.069 -0.639) 2.696 2.925 ( -1.575 1.955 1.751) 3.060 3.166 ( 0.029 -2.452 -2.089) 3.221 3.377 ( 4.912 -0.971 -5.676) 7.569 5.203 ( 1.700 -1.730 0.303) 2.444 5.236 ( -2.284 3.464 2.791) 5.001 5.656 ( 2.002 0.250 -1.528) 2.531 6.780 ( -3.723 10.280 7.971) 13.531 7.124 ( -9.698 -3.695 0.827) 10.411 7.184 ( -4.343 -4.711 6.911) 9.425 7.385 ( 1.514 4.061 6.973) 8.210 7.836 ( -1.139 2.289 0.303) 2.575 8.282 ( 4.456 -0.596 -1.944) 4.898 9.986 ( 8.469 0.429 -5.838) 10.295 10.134 ( -2.587 -4.783 -0.619) 5.473 11.071 ( 0.214 5.096 -1.838) 5.421 16.718 ( -2.551 -1.851 3.252) 4.529 17.736 ( 4.366 -1.679 -11.551) 12.462 18.906 ( -0.017 1.182 1.442) 1.865 19.226 ( 1.269 -3.984 1.129) 4.331 19.299 ( -5.197 -2.016 -2.894) 6.281 19.726 ( 2.492 6.816 7.210) 10.230 ======================= Grid point 254 (146/294) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -2.444 -12.812 -1.166) 13.095 1.664 ( 4.689 -12.293 0.748) 13.178 2.650 ( -3.420 -2.124 -4.461) 6.009 2.915 ( -1.627 -0.223 -0.553) 1.733 3.106 ( -0.610 -5.129 -2.389) 5.691 3.426 ( 2.300 4.262 -3.357) 5.893 5.227 ( 1.796 0.449 0.619) 1.952 5.256 ( -0.505 3.448 -0.309) 3.498 5.686 ( 1.542 -1.405 1.466) 2.550 6.905 ( -1.601 12.825 11.022) 16.986 6.993 ( -2.064 -2.311 2.518) 3.993 7.100 ( -3.937 -3.834 5.405) 7.708 7.577 ( 6.898 6.719 8.104) 12.586 7.845 ( -0.728 2.053 0.579) 2.253 8.324 ( 2.504 -0.466 -1.088) 2.770 10.018 ( -3.550 -2.669 -0.726) 4.500 10.084 ( 6.081 -1.349 -8.251) 10.339 11.055 ( -5.455 3.209 -1.818) 6.585 16.695 ( -0.393 -1.954 3.186) 3.758 17.641 ( -1.744 -6.034 -13.043) 14.476 18.933 ( 0.353 1.655 1.729) 2.419 19.182 ( -2.851 -0.945 -2.938) 4.202 19.237 ( 0.566 -3.071 0.092) 3.124 19.899 ( 4.192 7.945 9.016) 12.727 ======================= Grid point 255 (147/294) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 6.166 -12.999 -4.837) 15.178 1.665 ( 10.011 -15.733 3.224) 18.925 2.500 ( -5.021 -6.301 -7.762) 11.188 2.874 ( -0.521 -1.708 -2.304) 2.915 3.025 ( -1.594 -5.644 -1.734) 6.116 3.477 ( -1.279 7.144 -1.070) 7.336 5.259 ( 0.093 3.167 -2.086) 3.794 5.291 ( 3.358 -0.548 -0.757) 3.485 5.676 ( -2.188 -0.613 1.243) 2.590 7.031 ( 1.750 -3.615 6.200) 7.387 7.070 ( 7.115 2.229 7.428) 10.524 7.132 ( 0.276 14.166 7.861) 16.203 7.775 ( 2.409 5.787 6.040) 8.705 7.868 ( 2.749 1.065 1.408) 3.267 8.345 ( 0.905 -0.171 0.726) 1.173 9.865 ( -10.211 -0.135 -7.475) 12.655 10.146 ( 8.369 -2.932 -5.683) 10.533 10.948 ( -9.296 1.768 1.066) 9.523 16.709 ( 1.951 -1.935 3.108) 4.149 17.440 ( -4.492 -8.128 -11.721) 14.954 18.965 ( 0.189 1.921 1.443) 2.410 19.102 ( -2.656 -1.223 -4.861) 5.673 19.220 ( -0.073 -3.633 1.884) 4.093 20.112 ( 5.028 9.774 7.872) 13.520 ======================= Grid point 256 (148/294) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 13.031 -11.059 -7.859) 18.811 1.734 ( 13.875 -16.075 4.864) 21.785 2.296 ( -3.512 -9.806 -9.479) 14.084 2.848 ( 0.902 -1.756 -2.738) 3.375 2.938 ( -1.560 -4.636 -0.327) 4.903 3.496 ( -4.637 7.638 -0.138) 8.936 5.243 ( -1.896 -2.227 -1.924) 3.501 5.335 ( 3.861 -0.188 -2.190) 4.443 5.661 ( -1.100 4.511 -0.470) 4.667 7.066 ( 4.206 -2.961 2.312) 5.639 7.294 ( 6.143 3.989 13.191) 15.088 7.364 ( 7.780 11.745 3.546) 14.527 7.818 ( -1.775 4.521 1.085) 4.976 7.979 ( 4.959 1.039 2.201) 5.524 8.371 ( 0.400 0.670 4.170) 4.242 9.597 ( -14.814 1.664 -14.968) 21.125 10.188 ( 3.475 -7.976 -1.162) 8.777 10.856 ( -5.845 4.985 4.782) 9.048 16.759 ( 3.924 -1.800 3.057) 5.290 17.233 ( -3.223 -7.734 -8.894) 12.219 18.977 ( -2.096 1.826 -1.400) 3.112 19.029 ( -0.455 -1.334 -2.958) 3.277 19.181 ( -1.899 -4.795 3.478) 6.220 20.321 ( 3.838 10.177 4.576) 11.801 ======================= Grid point 257 (149/294) ======================= q-point: (-0.08 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 14.809 -8.495 -7.869) 18.798 1.857 ( 13.530 -13.169 2.862) 19.097 2.121 ( 3.037 -11.788 -8.163) 14.656 2.808 ( -1.648 -3.124 -0.321) 3.547 2.921 ( 3.412 -1.797 -0.833) 3.945 3.469 ( -7.396 7.392 0.380) 10.464 5.149 ( -4.212 -4.214 0.399) 5.971 5.384 ( 4.529 -0.238 -3.920) 5.995 5.716 ( 1.715 6.383 -1.882) 6.871 7.141 ( 6.458 -1.028 -0.727) 6.579 7.460 ( 2.443 1.661 9.718) 10.157 7.555 ( 2.203 3.749 1.319) 4.544 7.910 ( 4.939 8.283 1.517) 9.762 8.047 ( 4.189 1.077 -3.742) 5.719 8.416 ( -1.034 1.513 6.585) 6.835 9.272 ( -13.921 3.559 -17.410) 22.574 10.059 ( -7.211 -15.216 7.125) 18.284 10.935 ( 1.829 10.198 3.922) 11.078 16.834 ( 4.794 -1.551 3.132) 5.933 17.097 ( -0.052 -5.725 -6.001) 8.294 18.923 ( -2.408 0.550 -2.946) 3.844 19.025 ( 0.267 -0.002 -0.013) 0.267 19.116 ( -3.032 -4.815 3.960) 6.933 20.466 ( 1.165 8.187 0.530) 8.287 ======================= Grid point 260 (150/294) ======================= q-point: ( 0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 13.040 -8.095 -6.149) 16.534 1.862 ( 16.421 -0.881 -2.104) 16.579 2.216 ( 15.492 -5.624 1.168) 16.522 2.770 ( 2.221 -1.813 3.365) 4.421 2.993 ( 4.147 -2.140 -0.512) 4.695 3.426 ( -10.694 3.949 1.881) 11.554 5.100 ( 0.233 1.297 5.190) 5.354 5.359 ( 2.415 0.281 -4.671) 5.266 5.728 ( -1.727 -5.188 -1.308) 5.622 7.219 ( 0.562 -4.111 -7.136) 8.254 7.404 ( 7.478 4.956 -8.340) 12.249 7.577 ( -7.097 1.806 -6.046) 9.496 7.818 ( -4.661 -1.429 0.027) 4.875 7.996 ( -1.149 1.323 -2.498) 3.051 8.525 ( 1.821 8.333 -13.381) 15.869 9.357 ( -9.375 -18.674 19.001) 28.243 9.763 ( 7.934 13.620 13.446) 20.719 11.129 ( -7.803 0.299 -6.430) 10.115 16.916 ( 3.714 -0.125 -7.714) 8.562 17.042 ( 4.095 -3.249 8.349) 9.850 18.935 ( -1.404 -2.337 2.576) 3.751 19.004 ( -0.389 0.696 0.197) 0.821 19.179 ( 3.299 4.375 3.864) 6.705 20.390 ( -5.995 -0.303 -5.699) 8.277 ======================= Grid point 261 (151/294) ======================= q-point: ( 0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 14.910 -2.243 -1.828) 15.188 2.071 ( 9.601 -1.542 2.342) 10.002 2.403 ( 13.086 -1.199 -4.680) 13.949 2.816 ( 1.921 -0.860 3.048) 3.704 3.021 ( 2.342 -2.523 -0.254) 3.452 3.299 ( -9.254 1.483 2.956) 9.828 5.153 ( 0.159 2.660 3.310) 4.249 5.383 ( 2.600 1.455 -2.205) 3.707 5.619 ( -3.512 -7.284 -0.423) 8.097 7.132 ( -3.747 -1.206 -4.809) 6.214 7.376 ( -7.108 4.663 -11.533) 14.328 7.561 ( 3.398 6.462 -7.286) 10.315 7.745 ( -2.582 0.221 1.594) 3.042 8.046 ( 5.176 -0.123 -0.106) 5.179 8.504 ( -2.289 1.992 -9.883) 10.338 9.174 ( -5.714 -14.732 17.538) 23.606 10.111 ( 9.793 12.605 10.957) 19.361 10.922 ( -9.502 -4.017 -7.930) 13.012 16.931 ( 2.638 1.268 -6.542) 7.166 17.130 ( 4.376 -2.981 8.083) 9.663 18.919 ( 0.168 -2.003 1.916) 2.777 19.006 ( -0.085 0.461 0.439) 0.642 19.293 ( 4.050 2.440 1.983) 5.127 20.242 ( -8.207 0.192 -4.402) 9.315 ======================= Grid point 262 (152/294) ======================= q-point: ( 0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 13.857 2.444 1.818) 14.188 2.153 ( 1.582 -3.205 2.592) 4.415 2.550 ( 8.719 0.334 -8.226) 11.991 2.828 ( -3.038 1.631 3.520) 4.928 3.027 ( 1.229 -1.153 0.109) 1.689 3.220 ( -1.579 -2.555 2.807) 4.111 5.185 ( -0.996 3.463 0.285) 3.615 5.434 ( 2.638 -3.012 -2.162) 4.551 5.501 ( -2.956 -1.929 3.022) 4.647 7.029 ( -7.794 4.511 -1.837) 9.191 7.238 ( -6.369 4.737 -9.851) 12.651 7.617 ( 0.614 6.102 -5.185) 8.031 7.759 ( 1.675 0.787 1.372) 2.304 8.099 ( 1.472 -2.864 1.635) 3.611 8.349 ( -9.855 -6.008 -2.043) 11.721 9.162 ( 6.391 -5.161 8.269) 11.656 10.436 ( 10.522 9.347 6.466) 15.488 10.671 ( -9.508 -5.633 -6.450) 12.796 16.935 ( -0.250 0.956 -2.937) 3.098 17.235 ( 6.512 -1.311 4.370) 7.952 18.918 ( 0.286 -1.039 0.701) 1.285 19.026 ( 1.836 -0.739 2.438) 3.140 19.371 ( 4.614 -1.207 -1.624) 5.038 20.080 ( -10.757 2.621 -2.080) 11.265 ======================= Grid point 263 (153/294) ======================= q-point: ( 0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -3.736 -2.244 -0.101) 4.360 2.212 ( 10.095 0.541 1.892) 10.285 2.517 ( -7.255 -0.021 -2.115) 7.557 2.869 ( 3.707 2.907 1.225) 4.867 3.050 ( 1.621 1.795 -1.001) 2.618 3.213 ( 3.343 -6.056 0.322) 6.925 5.195 ( -0.942 2.026 -0.345) 2.261 5.344 ( -2.911 -4.692 -0.295) 5.529 5.561 ( 2.569 3.347 0.832) 4.301 6.960 ( -8.180 9.306 1.874) 12.531 7.155 ( -4.030 5.885 -4.912) 8.660 7.622 ( -2.815 4.093 -4.261) 6.544 7.800 ( -0.391 -0.057 3.813) 3.834 8.031 ( -8.608 -12.707 8.156) 17.380 8.120 ( -5.352 -0.745 -3.416) 6.393 9.349 ( 14.438 0.837 -0.346) 14.466 10.419 ( -5.394 -10.250 -6.018) 13.053 10.729 ( 7.810 10.270 4.817) 13.772 16.903 ( -3.056 -0.406 0.698) 3.161 17.366 ( 8.695 0.334 -1.116) 8.772 18.915 ( -0.363 0.106 0.231) 0.443 19.078 ( 3.710 -2.652 4.025) 6.082 19.397 ( 4.876 -5.334 -5.120) 8.857 19.930 ( -12.375 6.856 1.291) 14.206 ======================= Grid point 264 (154/294) ======================= q-point: (-0.50 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -7.775 -5.525 -2.694) 9.911 2.190 ( -9.679 -7.490 -2.594) 12.510 2.532 ( 4.727 5.522 5.147) 8.906 2.952 ( 1.222 2.271 1.856) 3.178 3.110 ( 4.198 3.911 -3.654) 6.802 3.196 ( 3.849 -8.112 -3.086) 9.494 5.174 ( 0.217 -4.341 -0.250) 4.353 5.306 ( -2.512 4.765 2.188) 5.814 5.613 ( 1.298 2.151 -3.089) 3.981 6.967 ( -7.237 12.787 6.988) 16.270 7.163 ( -0.420 7.303 -1.018) 7.386 7.536 ( -7.487 -0.385 -3.303) 8.192 7.663 ( -16.810 -9.517 14.722) 24.287 7.888 ( -1.137 -0.246 0.396) 1.229 8.104 ( 4.054 -0.946 -2.805) 5.020 9.593 ( 14.885 2.660 -5.998) 16.267 10.223 ( -3.036 -11.120 -2.082) 11.714 10.952 ( 6.219 8.422 1.477) 10.573 16.842 ( -4.331 -1.488 2.655) 5.293 17.493 ( 8.956 -0.030 -6.425) 11.022 18.916 ( -0.403 0.924 0.800) 1.287 19.129 ( 3.657 -4.117 2.615) 6.096 19.369 ( 3.085 -7.188 -5.468) 9.544 19.843 ( -10.083 10.261 4.939) 15.210 ======================= Grid point 265 (155/294) ======================= q-point: (-0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -6.399 -8.849 -3.000) 11.325 1.895 ( -13.314 -10.111 -1.653) 16.800 2.650 ( 2.963 -0.238 0.377) 2.996 2.965 ( -0.988 -1.303 -0.274) 1.658 3.119 ( -0.309 -4.658 -2.974) 5.535 3.250 ( 7.882 4.609 -3.708) 9.855 5.149 ( 1.813 -3.876 0.468) 4.304 5.339 ( -2.751 6.409 2.033) 7.265 5.620 ( 1.277 0.838 -3.584) 3.896 7.039 ( -6.325 14.027 10.207) 18.465 7.223 ( -3.185 5.342 -2.167) 6.586 7.324 ( -11.773 -6.796 8.069) 15.809 7.485 ( -5.996 -0.455 10.384) 12.000 7.891 ( -1.464 3.420 0.695) 3.784 8.166 ( 6.275 -1.180 -2.812) 6.977 9.781 ( 11.477 2.487 -11.595) 16.503 10.093 ( -0.289 -11.224 2.716) 11.551 11.099 ( 2.501 7.121 -0.760) 7.586 16.775 ( -4.038 -2.041 3.334) 5.620 17.555 ( 6.286 -2.842 -10.701) 12.732 18.930 ( -0.153 1.420 1.607) 2.150 19.147 ( 3.003 -3.859 -1.565) 5.134 19.307 ( -0.607 -4.458 -2.645) 5.219 19.862 ( -4.014 9.480 8.278) 13.210 ======================= Grid point 266 (156/294) ======================= q-point: (-0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -2.665 -14.018 -0.588) 14.282 1.579 ( -9.910 -12.285 -2.685) 16.010 2.611 ( -1.434 -6.775 -6.549) 9.531 2.907 ( -0.401 -4.534 -2.733) 5.309 3.048 ( -0.714 -4.795 -2.776) 5.586 3.413 ( 5.089 8.853 -0.643) 10.231 5.166 ( 3.272 -2.362 0.401) 4.055 5.336 ( -3.907 4.192 -1.571) 5.942 5.650 ( 2.787 0.338 0.673) 2.887 7.059 ( -7.503 -1.700 -1.198) 7.786 7.106 ( -5.526 0.703 9.375) 10.905 7.272 ( -7.564 10.850 14.156) 19.374 7.591 ( 5.225 6.575 7.960) 11.571 7.906 ( -2.136 4.449 1.301) 5.103 8.236 ( 5.593 -1.309 -2.368) 6.213 9.869 ( 8.640 -0.123 -14.484) 16.866 10.028 ( -0.060 -7.936 3.929) 8.856 11.153 ( -2.439 5.712 -1.153) 6.317 16.721 ( -2.546 -2.204 3.452) 4.823 17.502 ( 1.443 -6.575 -12.782) 14.446 18.955 ( 0.102 1.510 1.909) 2.436 19.150 ( 2.781 -2.043 -3.261) 4.748 19.235 ( -2.898 -1.572 -2.293) 4.015 19.982 ( 1.321 7.833 10.621) 13.263 ======================= Grid point 267 (157/294) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -3.172 -16.899 -0.581) 17.204 1.398 ( 4.510 -15.768 -0.689) 16.415 2.416 ( -3.317 -12.770 -12.016) 17.846 2.852 ( -0.548 -2.334 -2.557) 3.505 2.974 ( -0.426 -5.437 -2.360) 5.943 3.550 ( 1.359 8.926 0.269) 9.033 5.205 ( 3.958 -2.241 -0.519) 4.578 5.290 ( -2.615 1.410 -3.533) 4.616 5.698 ( 0.788 0.553 2.238) 2.436 6.990 ( 0.832 -3.069 4.398) 5.427 7.062 ( -1.604 -1.882 4.156) 4.836 7.406 ( -4.996 16.970 14.168) 22.664 7.797 ( 6.118 5.988 6.615) 10.819 7.917 ( -3.395 5.199 2.136) 6.566 8.294 ( 4.424 -1.336 -0.873) 4.703 9.918 ( 7.317 -1.471 -11.547) 13.749 9.949 ( -2.746 -4.015 -2.756) 5.591 11.119 ( -7.034 4.048 1.612) 8.274 16.697 ( -0.362 -2.162 3.481) 4.114 17.339 ( -2.312 -8.861 -12.235) 15.283 18.983 ( 0.390 1.318 1.509) 2.041 19.128 ( -3.087 0.024 -4.058) 5.099 19.183 ( 1.015 -1.980 -1.378) 2.617 20.169 ( 4.401 7.901 9.922) 13.425 ======================= Grid point 268 (158/294) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 6.945 -15.020 -4.108) 17.050 1.383 ( 12.109 -18.708 4.226) 22.682 2.148 ( -2.331 -16.190 -14.330) 21.746 2.812 ( -0.227 -1.091 -2.981) 3.182 2.908 ( -0.463 -4.825 -0.996) 4.949 3.625 ( -2.088 7.896 0.401) 8.177 5.234 ( -0.775 -1.533 -4.761) 5.062 5.242 ( 3.342 -2.968 -0.133) 4.472 5.717 ( -0.979 2.977 0.650) 3.201 7.000 ( 1.707 -4.923 4.206) 6.697 7.167 ( 10.374 1.434 4.220) 11.291 7.563 ( -3.479 14.162 10.723) 18.101 7.896 ( -1.556 3.173 -1.034) 3.682 7.976 ( 0.897 5.927 6.109) 8.559 8.358 ( 4.133 -0.573 3.370) 5.363 9.742 ( -11.977 0.171 -12.337) 17.196 10.003 ( 9.039 -3.786 -7.047) 12.071 11.053 ( -7.704 4.140 7.173) 11.311 16.712 ( 1.984 -2.052 3.559) 4.562 17.142 ( -2.487 -8.860 -9.787) 13.434 19.008 ( 0.511 0.859 0.825) 1.296 19.038 ( -4.373 0.795 -4.584) 6.384 19.172 ( 0.136 -3.354 1.161) 3.552 20.373 ( 4.456 8.447 6.158) 11.364 ======================= Grid point 269 (159/294) ======================= q-point: (-0.08 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 15.413 -10.286 -7.701) 20.066 1.487 ( 16.870 -17.776 7.176) 25.536 1.886 ( 1.292 -17.627 -14.089) 22.602 2.789 ( 0.396 -1.300 -2.116) 2.515 2.863 ( 0.568 -3.212 -0.208) 3.268 3.639 ( -4.909 7.027 0.523) 8.588 5.160 ( -2.105 -4.243 -0.727) 4.791 5.277 ( 4.553 -1.689 -3.219) 5.826 5.743 ( 0.127 4.484 -1.282) 4.665 7.030 ( 4.666 -2.363 0.268) 5.237 7.361 ( 8.919 -3.713 2.608) 10.007 7.684 ( -2.982 10.122 7.269) 12.813 7.921 ( 2.348 6.251 -0.564) 6.701 8.033 ( -1.211 3.095 -0.075) 3.325 8.453 ( 2.669 -0.329 8.147) 8.580 9.435 ( -14.712 3.817 -17.742) 23.362 10.008 ( 1.178 -10.143 0.053) 10.212 11.077 ( -2.643 8.667 8.862) 12.674 16.765 ( 4.020 -1.887 3.480) 5.642 16.998 ( 0.193 -6.867 -6.478) 9.442 18.960 ( -3.125 1.145 -2.816) 4.359 19.025 ( 0.221 0.606 0.175) 0.668 19.135 ( -1.770 -4.221 2.889) 5.413 20.521 ( 1.534 7.312 0.939) 7.530 ======================= Grid point 272 (160/294) ======================= q-point: ( 0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 15.820 -7.766 -5.335) 18.413 1.512 ( 22.824 1.938 -8.153) 24.314 1.900 ( 18.351 -9.906 10.783) 23.477 2.757 ( 0.700 -0.613 2.850) 2.998 2.900 ( 4.271 -1.821 -0.318) 4.654 3.623 ( -8.789 2.474 0.584) 9.149 5.131 ( 1.374 0.518 5.400) 5.596 5.280 ( 4.009 -0.807 -3.411) 5.326 5.729 ( -2.921 -1.388 -0.703) 3.309 7.081 ( 4.469 -5.441 -5.222) 8.766 7.280 ( 8.818 7.971 -6.487) 13.541 7.714 ( -10.313 2.118 -4.509) 11.453 7.872 ( -3.418 0.172 0.834) 3.522 8.056 ( -6.030 -0.888 -2.379) 6.543 8.487 ( 2.803 7.270 -11.537) 13.922 9.463 ( -9.517 -14.718 17.098) 24.486 9.833 ( 7.386 11.067 10.853) 17.170 11.208 ( -7.786 -0.860 -8.534) 11.584 16.806 ( 3.987 -0.122 -6.460) 7.592 16.979 ( 5.467 -3.787 7.535) 10.051 18.966 ( -2.889 -2.294 2.802) 4.633 19.016 ( -0.311 0.555 0.038) 0.637 19.170 ( 3.303 1.749 1.466) 4.014 20.467 ( -5.573 2.528 -3.786) 7.196 ======================= Grid point 273 (161/294) ======================= q-point: ( 0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 17.179 0.863 1.312) 17.250 1.839 ( 18.721 2.477 -4.434) 19.398 2.139 ( 14.414 -6.551 5.396) 16.727 2.797 ( 2.050 0.429 2.826) 3.518 2.940 ( 3.660 -2.615 -0.631) 4.542 3.486 ( -10.238 0.515 0.938) 10.294 5.190 ( 0.952 0.820 4.134) 4.321 5.321 ( 3.713 -0.187 -1.379) 3.965 5.652 ( -4.869 -0.722 0.453) 4.943 7.093 ( 3.320 -0.803 -1.896) 3.906 7.463 ( 5.966 9.513 -7.010) 13.238 7.528 ( -8.169 3.176 -9.472) 12.905 7.822 ( -4.426 1.527 0.303) 4.692 7.999 ( 0.424 0.599 0.249) 0.775 8.492 ( -0.476 3.009 -9.462) 9.940 9.275 ( -9.524 -14.370 18.816) 25.519 10.115 ( 9.115 7.338 7.089) 13.682 10.989 ( -9.535 -2.902 -9.165) 13.540 16.843 ( 4.391 1.662 -6.135) 7.725 17.076 ( 4.817 -3.778 7.974) 10.053 18.925 ( -1.613 -1.976 2.539) 3.600 19.016 ( -0.296 0.539 0.012) 0.615 19.231 ( 3.867 -1.584 -1.465) 4.428 20.376 ( -7.451 4.024 -1.457) 8.593 ======================= Grid point 274 (162/294) ======================= q-point: ( 0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 15.971 5.131 4.955) 17.491 2.070 ( 8.697 -0.850 1.005) 8.796 2.324 ( 12.740 -1.118 -2.798) 13.092 2.851 ( 1.999 -0.536 2.323) 3.111 2.972 ( 3.335 -0.871 -0.840) 3.548 3.321 ( -9.829 -1.906 1.280) 10.094 5.211 ( 0.399 -2.231 0.722) 2.379 5.377 ( 2.094 1.268 0.776) 2.568 5.583 ( -4.871 2.684 2.101) 5.945 7.142 ( 0.615 4.178 1.590) 4.513 7.344 ( -9.365 6.247 -9.555) 14.766 7.598 ( 4.163 4.293 -5.010) 7.802 7.790 ( -2.534 5.488 -1.992) 6.365 8.054 ( 3.436 0.229 2.140) 4.055 8.408 ( -5.052 -1.838 -5.574) 7.743 9.146 ( -4.021 -9.978 15.362) 18.755 10.320 ( 9.423 -3.124 -1.292) 10.011 10.777 ( -8.794 2.236 -3.620) 9.769 16.895 ( 3.452 2.412 -4.900) 6.461 17.162 ( 4.412 -3.278 6.716) 8.678 18.909 ( -0.069 -1.513 1.926) 2.450 19.020 ( 0.176 0.126 1.119) 1.140 19.248 ( 4.138 -4.798 -4.167) 7.583 20.284 ( -9.167 5.842 0.235) 10.873 ======================= Grid point 275 (163/294) ======================= q-point: ( 0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 9.704 1.862 3.128) 10.364 2.114 ( 0.947 -2.810 0.999) 3.129 2.494 ( 8.021 3.174 -3.090) 9.163 2.875 ( 1.179 -0.882 2.077) 2.546 3.020 ( 2.008 1.596 -1.670) 3.061 3.169 ( -4.794 -4.795 0.619) 6.808 5.174 ( 0.124 -6.216 -0.349) 6.227 5.408 ( -2.306 5.952 0.207) 6.386 5.583 ( -1.110 3.529 2.055) 4.233 7.204 ( -3.736 9.640 5.411) 11.669 7.233 ( -5.354 7.109 -6.747) 11.169 7.645 ( 1.643 1.513 -2.899) 3.659 7.803 ( -0.502 5.136 -2.938) 5.938 8.090 ( -2.270 -1.308 5.379) 5.983 8.227 ( -10.153 -5.304 -0.485) 11.465 9.174 ( 6.918 -2.913 5.563) 9.343 10.276 ( 1.979 -15.585 -8.985) 18.098 10.788 ( 0.961 10.693 3.670) 11.346 16.925 ( 0.392 1.068 -1.705) 2.049 17.244 ( 5.516 -1.884 1.982) 6.157 18.913 ( 0.601 -0.656 0.866) 1.241 19.040 ( 1.284 -1.113 2.894) 3.356 19.230 ( 4.281 -6.752 -5.230) 9.553 20.195 ( -10.120 7.769 1.368) 12.831 ======================= Grid point 276 (164/294) ======================= q-point: (-0.50 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -7.647 -5.033 -2.169) 9.408 2.160 ( 1.684 -5.912 -3.153) 6.909 2.589 ( 0.000 3.683 5.028) 6.232 2.944 ( 3.403 1.248 -0.076) 3.625 3.009 ( 2.764 -1.800 -3.617) 4.895 3.114 ( 0.671 -1.501 -0.801) 1.829 5.114 ( 0.454 -6.341 0.241) 6.362 5.435 ( -3.168 8.879 0.805) 9.462 5.601 ( -0.288 1.618 -1.945) 2.547 7.229 ( -0.723 7.967 -2.236) 8.306 7.269 ( -6.569 13.473 8.308) 17.138 7.622 ( -4.412 0.828 -3.499) 5.691 7.839 ( 3.471 0.338 -1.072) 3.648 7.946 ( -15.983 -8.106 13.311) 22.324 8.092 ( -2.963 2.727 -1.656) 4.354 9.347 ( 13.194 1.704 -4.626) 14.085 10.090 ( 0.878 -17.129 -4.743) 17.795 10.956 ( 4.627 9.376 1.946) 10.635 16.905 ( -2.839 -0.848 1.547) 3.342 17.323 ( 6.623 -1.423 -4.168) 7.954 18.926 ( 0.689 0.376 0.244) 0.822 19.064 ( 1.592 -2.578 1.391) 3.334 19.212 ( 4.697 -7.021 -2.274) 8.748 20.124 ( -9.724 9.411 2.620) 13.784 ======================= Grid point 277 (165/294) ======================= q-point: (-0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -10.286 -7.029 -3.983) 13.079 1.978 ( -9.920 -10.775 -3.187) 14.988 2.626 ( -1.022 -1.145 1.956) 2.486 2.871 ( 2.068 -10.548 -6.700) 12.666 3.089 ( -1.171 -1.676 -1.359) 2.455 3.187 ( 8.016 10.341 0.858) 13.112 5.085 ( 1.710 -4.472 1.134) 4.920 5.471 ( -4.008 8.157 1.054) 9.150 5.584 ( 0.692 0.339 -4.794) 4.856 7.270 ( -3.907 5.294 -0.024) 6.580 7.374 ( -2.556 14.641 7.819) 16.794 7.476 ( -9.702 -2.843 0.627) 10.130 7.721 ( -13.473 -2.566 14.869) 20.228 7.908 ( 3.990 0.703 0.678) 4.108 8.094 ( -0.719 4.911 -0.669) 5.009 9.529 ( 12.571 2.755 -14.615) 19.474 9.956 ( 3.365 -16.974 3.612) 17.677 11.115 ( 3.834 8.094 -0.216) 8.959 16.845 ( -4.346 -1.938 3.060) 5.658 17.366 ( 5.749 -3.201 -8.920) 11.084 18.947 ( 0.844 1.104 0.521) 1.484 19.058 ( 1.790 -2.546 -3.172) 4.444 19.223 ( 3.721 -6.116 2.075) 7.454 20.097 ( -7.405 9.991 4.987) 13.398 ======================= Grid point 278 (166/294) ======================= q-point: (-0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -9.158 -10.459 -3.752) 14.399 1.649 ( -13.954 -13.415 -1.600) 19.423 2.510 ( -3.177 -11.499 -9.002) 14.945 2.807 ( 3.245 -6.230 -2.489) 7.453 3.021 ( -2.352 -3.165 -3.041) 4.980 3.417 ( 6.409 10.679 1.724) 12.573 5.095 ( 2.739 -3.118 1.286) 4.345 5.430 ( -5.484 2.435 -3.669) 7.033 5.618 ( 2.900 2.920 -0.158) 4.118 7.165 ( -8.689 -0.281 -4.796) 9.929 7.274 ( -11.064 -4.919 9.635) 15.474 7.578 ( 3.022 11.904 8.328) 14.839 7.675 ( -7.042 8.702 12.466) 16.754 7.985 ( 1.989 2.960 3.094) 4.722 8.140 ( 1.111 4.401 -0.921) 4.631 9.610 ( 9.972 -0.667 -19.805) 22.184 9.930 ( 4.970 -12.447 8.165) 15.694 11.221 ( 0.776 7.285 -1.275) 7.436 16.775 ( -4.035 -2.304 3.405) 5.761 17.331 ( 2.820 -6.085 -11.394) 13.221 18.976 ( 0.454 1.200 1.419) 1.913 19.054 ( 3.338 -0.884 -5.265) 6.297 19.223 ( 0.684 -4.281 1.279) 4.520 20.139 ( -3.322 8.976 8.364) 12.711 ======================= Grid point 279 (167/294) ======================= q-point: (-0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -5.047 -15.910 0.214) 16.693 1.287 ( -11.460 -15.339 -1.805) 19.232 2.238 ( -3.360 -17.893 -14.900) 23.526 2.801 ( 2.225 -3.133 -1.345) 4.071 2.930 ( -2.043 -3.928 -3.130) 5.422 3.601 ( 3.500 9.161 1.165) 9.876 5.121 ( 3.099 -2.958 0.417) 4.305 5.328 ( -4.492 -0.650 -4.370) 6.301 5.696 ( 2.361 2.558 1.747) 3.895 7.014 ( -4.889 -1.791 -0.777) 5.265 7.135 ( -6.811 -4.421 7.484) 11.043 7.736 ( -6.346 13.887 9.979) 18.240 7.795 ( 5.412 6.147 5.218) 9.711 8.071 ( -1.721 7.519 8.064) 11.159 8.189 ( 2.916 1.164 -2.253) 3.865 9.646 ( 11.179 -2.390 -16.408) 19.997 9.931 ( 0.942 -7.346 3.093) 8.026 11.260 ( -3.294 6.348 0.177) 7.154 16.720 ( -2.404 -2.318 3.441) 4.795 17.209 ( -0.599 -8.151 -11.466) 14.081 18.998 ( 0.103 0.787 1.304) 1.527 19.083 ( 3.895 0.231 -4.832) 6.210 19.180 ( -2.190 -1.903 -1.401) 3.222 20.256 ( 0.974 7.393 10.226) 12.657 ======================= Grid point 280 (168/294) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -4.946 -18.918 3.409) 19.848 1.073 ( 5.350 -18.491 0.598) 19.259 1.907 ( -2.131 -21.305 -17.557) 27.689 2.791 ( 0.111 -1.152 -2.295) 2.570 2.857 ( -0.135 -4.131 -1.650) 4.450 3.714 ( 0.333 7.497 0.661) 7.533 5.141 ( 3.159 -2.955 -1.775) 4.675 5.230 ( -2.680 -3.297 -2.153) 4.763 5.751 ( 0.446 2.450 1.132) 2.735 6.965 ( 0.060 -4.992 3.889) 6.328 7.095 ( 1.663 0.235 3.370) 3.765 7.810 ( -4.544 10.519 6.145) 13.002 7.927 ( 1.091 5.478 0.748) 5.635 8.134 ( -6.655 7.552 7.942) 12.822 8.267 ( 8.089 -0.954 2.273) 8.456 9.738 ( 12.048 -0.679 -12.841) 17.622 9.834 ( -6.115 -3.525 -4.889) 8.586 11.250 ( -5.913 5.152 5.392) 9.517 16.700 ( -0.136 -2.247 3.668) 4.304 17.038 ( -2.163 -8.490 -9.576) 12.979 19.011 ( 0.166 0.326 0.558) 0.667 19.089 ( -2.778 1.250 -4.055) 5.072 19.130 ( 1.379 -1.684 -1.591) 2.696 20.419 ( 3.474 6.605 8.213) 11.097 ======================= Grid point 281 (169/294) ======================= q-point: (-0.08 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 8.132 -15.214 -1.316) 17.301 1.090 ( 15.363 -20.111 8.227) 26.611 1.577 ( 1.120 -22.963 -17.953) 29.170 2.762 ( -0.203 -0.539 -2.566) 2.630 2.824 ( 0.585 -3.346 -0.154) 3.400 3.764 ( -2.423 6.282 0.498) 6.751 5.126 ( 0.311 -3.005 -4.432) 5.364 5.183 ( 2.331 -4.142 1.514) 4.988 5.777 ( -0.481 2.935 -0.371) 2.997 6.952 ( 2.029 -4.219 1.794) 5.014 7.207 ( 7.601 -1.216 1.321) 7.810 7.875 ( -3.027 9.747 4.675) 11.226 7.951 ( -1.607 4.675 -1.559) 5.184 8.118 ( -4.310 3.115 1.710) 5.586 8.424 ( 6.350 -1.178 9.208) 11.247 9.591 ( -12.971 2.089 -14.416) 19.505 9.846 ( 8.080 -3.912 -6.132) 10.871 11.263 ( -4.015 6.034 10.187) 12.502 16.718 ( 2.028 -2.238 3.820) 4.870 16.892 ( -0.189 -6.983 -6.200) 9.340 19.002 ( -2.171 0.434 -1.364) 2.600 19.035 ( -1.229 1.351 -1.388) 2.294 19.127 ( 0.238 -2.618 0.770) 2.739 20.564 ( 2.099 6.033 2.386) 6.819 ======================= Grid point 321 (170/294) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -0.000 0.000 22.002) 22.002 0.849 ( -0.000 0.000 22.002) 22.002 1.345 ( -0.000 0.000 34.420) 34.420 2.772 ( -0.000 0.000 1.615) 1.615 2.772 ( -0.000 0.000 1.615) 1.615 3.894 ( 0.000 -0.000 -2.752) 2.752 5.079 ( -0.000 0.000 4.570) 4.570 5.079 ( -0.000 0.000 4.570) 4.570 5.893 ( -0.000 0.000 1.816) 1.816 7.239 ( -0.000 0.000 5.028) 5.028 7.239 ( -0.000 0.000 5.028) 5.028 8.071 ( 0.000 -0.000 -7.214) 7.214 8.099 ( 0.000 -0.000 -4.561) 4.561 8.099 ( 0.000 -0.000 -4.561) 4.561 8.527 ( -0.000 0.000 1.500) 1.500 9.479 ( 0.000 -0.000 -5.228) 5.228 9.479 ( 0.000 0.000 -5.228) 5.228 11.514 ( -0.000 0.000 0.462) 0.462 16.739 ( -0.000 0.000 3.564) 3.564 16.739 ( -0.000 0.000 3.564) 3.564 19.003 ( 0.000 -0.000 -1.923) 1.923 19.003 ( 0.000 -0.000 -1.923) 1.923 19.025 ( -0.000 0.000 0.327) 0.327 20.775 ( 0.000 -0.000 -0.485) 0.485 ======================= Grid point 322 (171/294) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -1.211 -3.746 21.681) 22.035 1.178 ( 8.795 8.878 19.639) 23.278 1.646 ( 7.535 4.112 29.426) 30.652 2.765 ( -0.351 -1.129 1.382) 1.819 2.817 ( 1.771 1.768 2.102) 3.268 3.850 ( -2.412 -1.467 -3.048) 4.155 5.074 ( -0.625 -1.537 4.337) 4.644 5.197 ( 5.319 4.088 4.959) 8.342 5.891 ( -1.065 -0.839 1.945) 2.371 7.107 ( -10.087 -2.681 4.132) 11.225 7.352 ( 5.437 -1.507 7.170) 9.124 7.912 ( -7.006 -4.417 -7.280) 11.027 8.098 ( 0.314 2.953 -5.036) 5.846 8.117 ( 3.005 -1.156 -4.264) 5.343 8.463 ( -5.770 3.135 1.134) 6.664 9.301 ( -0.678 -11.323 -8.440) 14.138 9.744 ( 12.626 11.318 -1.681) 17.039 11.420 ( -8.727 -2.578 -0.258) 9.104 16.736 ( 0.645 -0.631 3.212) 3.336 16.838 ( 3.154 3.995 4.304) 6.666 18.952 ( -1.711 -0.426 -2.414) 2.989 19.022 ( -0.187 0.698 -0.140) 0.736 19.078 ( 4.629 1.710 -1.047) 5.045 20.699 ( -4.885 -4.308 -0.545) 6.535 ======================= Grid point 323 (172/294) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 9.509 2.874 16.285) 19.075 1.517 ( 8.926 8.573 16.046) 20.264 1.981 ( 7.586 6.066 22.917) 24.891 2.753 ( -0.301 -2.116 1.349) 2.528 2.887 ( 2.382 2.926 2.545) 4.551 3.752 ( -4.628 -3.087 -3.262) 6.449 5.077 ( -0.253 -2.203 4.002) 4.576 5.365 ( 5.828 4.923 4.462) 8.838 5.871 ( -1.242 -1.539 1.717) 2.619 6.974 ( -5.227 -0.444 -0.246) 5.251 7.467 ( 4.402 -1.154 6.645) 8.054 7.706 ( -8.071 -3.280 -7.110) 11.245 8.080 ( -1.444 0.596 -1.628) 2.257 8.125 ( 3.919 -3.509 -4.278) 6.780 8.453 ( -2.832 9.485 -2.438) 10.194 9.144 ( 2.315 -13.186 -8.941) 16.099 9.991 ( 5.659 4.782 7.161) 10.304 11.223 ( -11.059 -0.220 -4.748) 12.037 16.780 ( 2.444 0.104 3.630) 4.377 16.956 ( 2.628 5.432 3.546) 7.000 18.914 ( -1.104 0.289 -2.091) 2.383 19.020 ( -0.182 0.133 -0.706) 0.741 19.151 ( 2.043 0.955 1.995) 3.011 20.567 ( -3.815 -5.600 -2.946) 7.389 ======================= Grid point 324 (173/294) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 14.594 7.105 10.641) 19.408 1.804 ( 7.752 4.896 11.666) 14.838 2.279 ( 5.754 8.713 16.706) 19.700 2.726 ( -1.034 -3.328 0.957) 3.614 2.976 ( 2.573 3.638 2.724) 5.222 3.605 ( -6.439 -4.770 -2.991) 8.554 5.070 ( -0.390 -3.064 3.767) 4.871 5.508 ( 3.047 4.322 2.797) 5.982 5.847 ( -0.459 -2.089 0.771) 2.274 6.936 ( 1.531 2.693 -5.931) 6.691 7.491 ( -8.450 3.049 -2.353) 9.287 7.558 ( 1.156 -3.965 -0.520) 4.163 8.063 ( -0.951 0.519 1.121) 1.559 8.124 ( 4.908 -6.248 -4.947) 9.359 8.488 ( 0.939 5.262 -6.692) 8.565 9.043 ( 3.045 -7.322 -3.562) 8.693 10.092 ( -3.623 -2.718 16.984) 17.577 11.030 ( -7.847 3.681 -11.077) 14.065 16.858 ( 3.445 0.718 4.660) 5.840 17.055 ( 1.302 5.110 1.364) 5.447 18.900 ( -0.170 0.838 -0.776) 1.154 19.011 ( -0.030 -0.188 -1.452) 1.464 19.182 ( -1.457 -0.609 5.954) 6.160 20.445 ( -1.380 -4.770 -6.526) 8.200 ======================= Grid point 325 (174/294) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 12.625 8.232 7.294) 16.743 1.993 ( 5.619 0.422 7.258) 9.189 2.534 ( 4.122 10.413 10.999) 15.697 2.663 ( -2.010 -4.792 -0.923) 5.278 3.063 ( 1.965 3.130 2.486) 4.454 3.424 ( -7.694 -6.058 -1.484) 9.904 5.056 ( -0.398 -3.268 3.799) 5.027 5.560 ( -1.861 2.889 -0.637) 3.494 5.833 ( 1.323 -2.363 -0.518) 2.757 6.995 ( 7.073 5.298 -11.098) 14.187 7.369 ( -7.032 4.228 -1.676) 8.375 7.536 ( -0.894 -1.565 -1.560) 2.384 8.059 ( -1.979 1.557 0.046) 2.518 8.097 ( 4.055 -7.797 -6.843) 11.139 8.466 ( 4.244 -6.829 -12.090) 14.519 9.100 ( 4.119 4.334 7.672) 9.727 10.034 ( -11.738 -6.773 21.373) 25.307 10.923 ( -1.736 5.648 -12.761) 14.062 16.956 ( 3.323 1.108 6.234) 7.151 17.102 ( -0.317 3.287 -1.767) 3.745 18.915 ( 0.675 1.262 1.088) 1.797 19.002 ( 0.333 -0.124 -1.768) 1.803 19.168 ( -3.874 -2.333 8.591) 9.709 20.357 ( 0.851 -2.613 -9.478) 9.868 ======================= Grid point 326 (175/294) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 0.093 3.144 2.804) 4.214 2.123 ( 5.473 0.191 6.421) 8.439 2.545 ( -3.769 -5.279 -2.430) 6.926 2.763 ( 6.107 9.244 3.545) 11.632 3.117 ( 0.462 0.837 1.953) 2.174 3.235 ( -8.052 -6.073 1.769) 10.239 5.050 ( 0.013 -2.164 4.140) 4.671 5.508 ( -4.291 1.230 -4.218) 6.142 5.832 ( 1.564 -2.221 -1.436) 3.073 7.102 ( 8.503 5.782 -14.522) 17.794 7.331 ( -3.936 6.861 -1.011) 7.974 7.509 ( 1.347 -0.454 -1.532) 2.090 7.997 ( -5.869 0.726 -4.965) 7.722 8.025 ( 2.644 -8.904 -8.329) 12.475 8.387 ( 4.947 -8.673 -10.893) 14.776 9.308 ( 5.970 5.733 13.714) 16.018 9.889 ( -14.294 -3.840 20.151) 25.003 10.913 ( 2.606 4.269 -9.053) 10.343 17.052 ( 0.270 2.859 6.929) 7.500 17.086 ( -0.149 -0.972 -3.565) 3.698 18.950 ( 0.738 1.219 1.601) 2.143 19.003 ( 0.441 0.817 -0.291) 0.973 19.127 ( -3.719 -3.906 8.857) 10.370 20.309 ( 2.398 -0.118 -10.934) 11.194 ======================= Grid point 327 (176/294) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -7.930 -1.699 -1.814) 8.310 2.133 ( -6.135 -6.581 0.821) 9.034 2.450 ( -2.136 -2.091 0.341) 3.009 2.905 ( -0.934 2.472 0.178) 2.649 3.113 ( -3.835 -0.816 1.717) 4.280 3.143 ( 4.274 -0.385 4.426) 6.165 5.071 ( 0.646 -0.188 4.731) 4.779 5.415 ( -3.484 -0.251 -5.693) 6.679 5.817 ( 0.116 -1.833 -2.064) 2.763 7.188 ( 4.917 4.172 -10.211) 12.077 7.324 ( 1.040 4.353 -8.807) 9.879 7.567 ( 2.244 4.156 -1.631) 4.997 7.841 ( -6.154 0.996 -9.388) 11.269 7.930 ( 2.436 -8.791 -7.432) 11.767 8.344 ( 4.553 -6.287 -6.424) 10.076 9.516 ( 6.765 -4.565 14.879) 16.970 9.786 ( -13.738 7.769 17.698) 23.713 10.967 ( 5.189 2.779 -5.212) 7.862 17.005 ( -3.668 0.301 -6.484) 7.455 17.131 ( 0.167 -1.130 9.746) 9.813 18.972 ( 0.492 0.503 -0.110) 0.712 19.022 ( -2.265 2.905 3.787) 5.283 19.101 ( 0.571 -5.191 6.535) 8.366 20.297 ( 3.474 1.745 -11.105) 11.766 ======================= Grid point 328 (177/294) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -13.427 -3.273 -4.389) 14.501 1.860 ( -11.398 -13.741 -6.845) 19.121 2.371 ( -9.468 -2.841 7.384) 12.338 2.843 ( -4.666 -1.105 3.140) 5.732 3.037 ( -4.443 -2.811 0.895) 5.333 3.335 ( 10.677 4.794 1.685) 11.824 5.120 ( 0.755 0.998 5.371) 5.515 5.331 ( -1.743 -1.418 -5.028) 5.508 5.778 ( -1.157 -1.137 -2.466) 2.952 7.179 ( 0.163 -2.103 -6.775) 7.096 7.348 ( -0.431 1.854 -10.599) 10.769 7.524 ( -1.314 6.241 -11.250) 12.932 7.839 ( 1.416 4.590 -1.142) 4.937 7.880 ( 7.298 -2.305 -8.399) 11.363 8.324 ( 3.956 -6.474 -4.034) 8.592 9.607 ( 4.993 -13.802 15.892) 21.633 9.810 ( -10.398 15.910 12.989) 23.021 11.062 ( 5.995 3.160 -3.229) 7.506 16.896 ( -3.715 -1.251 -7.057) 8.073 17.156 ( -3.464 -1.709 11.022) 11.679 18.984 ( 0.564 0.530 0.222) 0.806 19.028 ( -2.760 2.552 4.313) 5.721 19.121 ( 2.324 -4.076 4.440) 6.460 20.316 ( 4.592 2.372 -10.660) 11.847 ======================= Grid point 329 (178/294) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -17.757 -3.470 -5.202) 18.826 1.465 ( -13.043 -16.796 -7.656) 22.602 2.177 ( -16.239 -6.218 12.997) 21.709 2.802 ( -2.298 -0.024 2.886) 3.690 2.940 ( -4.438 -3.211 1.135) 5.594 3.550 ( 9.220 4.411 0.369) 10.228 5.160 ( -0.490 -0.719 4.643) 4.724 5.272 ( -1.364 -1.061 -2.223) 2.815 5.742 ( -0.271 -0.108 -2.375) 2.393 7.104 ( 0.611 -7.087 -7.237) 10.148 7.174 ( -8.939 1.559 -7.940) 12.058 7.637 ( 8.217 10.575 -9.355) 16.336 7.858 ( 3.006 -0.787 -0.656) 3.176 8.014 ( 6.853 8.492 -7.637) 13.319 8.298 ( 3.625 -7.476 -2.954) 8.818 9.662 ( 4.805 -11.149 15.578) 19.749 9.851 ( -7.902 9.485 8.467) 14.970 11.168 ( 4.407 5.189 -3.563) 7.684 16.785 ( -3.180 -1.576 -5.980) 6.954 17.121 ( -6.630 -2.294 10.939) 12.996 19.003 ( 0.975 0.330 -0.310) 1.075 19.044 ( -1.405 2.894 4.567) 5.587 19.138 ( 0.892 -3.051 3.125) 4.458 20.358 ( 5.952 1.651 -9.930) 11.694 ======================= Grid point 334 (179/294) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -3.438 -2.324 20.548) 20.963 1.219 ( 3.916 3.237 22.269) 22.841 1.853 ( 0.099 10.780 26.504) 28.612 2.784 ( -1.168 0.487 1.327) 1.833 2.824 ( 1.011 2.149 1.959) 3.078 3.832 ( -0.093 -2.558 -3.351) 4.217 5.127 ( -1.501 0.768 4.819) 5.106 5.202 ( 1.331 3.893 5.332) 6.735 5.898 ( -0.170 -2.171 2.031) 2.977 7.186 ( 6.016 -7.314 4.676) 10.562 7.313 ( -7.105 -3.914 7.984) 11.382 7.935 ( -6.132 -3.591 -7.698) 10.476 7.950 ( 6.540 -5.464 -7.132) 11.113 8.128 ( -0.422 4.506 -4.243) 6.203 8.383 ( 3.454 -14.056 0.674) 14.490 9.444 ( -14.640 10.127 -6.746) 19.036 9.634 ( 10.681 13.645 -4.737) 17.964 11.427 ( 1.635 -8.646 0.949) 8.851 16.727 ( -0.390 -2.748 3.467) 4.441 16.899 ( 1.262 8.366 4.572) 9.617 18.979 ( 0.474 2.078 -2.513) 3.295 19.016 ( 2.158 0.947 -0.801) 2.489 19.047 ( -2.380 2.705 -1.281) 3.824 20.681 ( -1.061 -8.927 -0.060) 8.990 ======================= Grid point 335 (180/294) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 0.880 1.906 20.234) 20.343 1.512 ( 9.813 3.330 18.593) 21.286 2.129 ( 2.800 11.261 20.821) 23.836 2.769 ( -1.817 0.275 1.261) 2.229 2.892 ( 2.306 3.172 2.189) 4.491 3.757 ( -2.683 -3.912 -3.689) 6.009 5.120 ( -2.742 0.098 4.897) 5.614 5.340 ( 5.577 4.497 4.334) 8.374 5.875 ( -0.763 -3.573 2.016) 4.173 7.089 ( -9.520 -3.954 2.735) 10.665 7.351 ( 8.836 -7.010 8.220) 13.956 7.754 ( -6.077 -3.361 -7.653) 10.334 7.936 ( 5.656 -8.826 -7.292) 12.770 8.127 ( -1.830 2.974 -3.210) 4.743 8.332 ( 6.676 -13.229 -3.302) 15.182 9.243 ( -14.756 11.916 -4.588) 19.514 9.943 ( 11.258 10.307 0.191) 15.265 11.319 ( -5.751 -5.966 -1.748) 8.469 16.741 ( 2.394 -2.367 3.648) 4.964 17.037 ( 0.925 10.687 3.633) 11.325 18.955 ( -2.766 2.841 -1.769) 4.341 19.025 ( -1.150 0.541 -1.109) 1.687 19.109 ( 5.254 2.831 -0.913) 6.038 20.536 ( -3.693 -11.718 -0.252) 12.288 ======================= Grid point 336 (181/294) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 8.673 6.312 15.989) 19.254 1.788 ( 7.944 2.725 13.989) 16.316 2.393 ( 3.959 9.712 14.233) 17.679 2.746 ( -2.594 0.345 1.769) 3.159 2.978 ( 2.815 3.333 1.945) 4.777 3.630 ( -4.825 -5.220 -3.424) 7.890 5.102 ( -2.584 -0.870 4.578) 5.328 5.491 ( 5.298 3.606 2.244) 6.790 5.834 ( -0.975 -4.504 1.651) 4.895 6.944 ( -4.757 -1.231 -2.017) 5.312 7.468 ( 5.787 -4.917 3.154) 8.223 7.598 ( -4.670 -0.974 -4.030) 6.245 7.889 ( 7.121 -12.955 -8.599) 17.102 8.093 ( -1.873 -0.353 0.134) 1.911 8.296 ( 6.352 -11.413 -6.008) 14.378 9.159 ( -8.812 14.658 -1.171) 17.143 10.165 ( 4.716 3.016 8.769) 10.403 11.130 ( -9.117 -1.168 -7.395) 11.796 16.801 ( 4.573 -2.191 4.201) 6.585 17.154 ( -1.462 11.002 1.595) 11.213 18.939 ( -1.942 3.617 -0.507) 4.137 19.003 ( -0.745 -0.295 -1.598) 1.788 19.203 ( 2.784 1.559 2.501) 4.054 20.366 ( -2.203 -11.227 -3.174) 11.873 ======================= Grid point 337 (182/294) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 12.466 8.427 11.212) 18.764 1.979 ( 4.062 1.785 9.101) 10.125 2.583 ( 3.477 1.687 3.747) 5.383 2.724 ( -4.000 5.233 5.368) 8.497 3.060 ( 2.708 1.984 1.121) 3.539 3.472 ( -6.112 -5.687 -1.383) 8.462 5.079 ( -2.107 -1.393 4.286) 4.975 5.587 ( 2.092 2.220 -0.674) 3.124 5.778 ( -0.732 -5.589 0.131) 5.638 6.898 ( 1.947 2.222 -7.474) 8.036 7.438 ( -1.160 -2.117 -3.072) 3.907 7.564 ( -1.598 0.411 -1.001) 1.929 7.818 ( 7.131 -14.950 -9.643) 19.166 8.087 ( 0.715 -0.975 3.101) 3.329 8.253 ( 4.137 -8.103 -5.710) 10.741 9.206 ( -2.256 12.258 2.972) 12.813 10.251 ( -4.003 -2.762 17.355) 18.024 10.946 ( -6.152 3.566 -13.261) 15.048 16.895 ( 5.922 -2.338 4.896) 8.032 17.206 ( -4.253 9.455 -0.803) 10.399 18.957 ( -0.849 4.364 1.728) 4.770 18.979 ( -0.150 -0.566 -2.024) 2.107 19.249 ( -1.347 -0.694 6.756) 6.924 20.230 ( 1.251 -8.457 -7.815) 11.583 ======================= Grid point 338 (183/294) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 6.798 8.155 5.753) 12.075 2.075 ( 3.370 0.173 6.684) 7.487 2.535 ( -3.207 -5.404 -4.706) 7.851 2.820 ( 0.567 8.489 5.559) 10.163 3.106 ( 1.662 -1.192 0.558) 2.120 3.320 ( -6.808 -4.585 2.325) 8.531 5.069 ( -0.878 -0.664 4.239) 4.380 5.574 ( -4.526 1.425 -3.428) 5.854 5.728 ( 3.310 -7.088 -1.938) 8.059 6.944 ( 6.404 4.862 -11.942) 14.396 7.431 ( 1.746 2.341 -0.692) 3.001 7.493 ( -2.982 -2.044 -4.968) 6.144 7.731 ( 4.897 -12.438 -7.921) 15.538 8.092 ( -2.787 1.220 -1.347) 3.327 8.221 ( 3.229 -4.545 -3.428) 6.545 9.325 ( 3.139 3.035 7.860) 8.992 10.218 ( -10.769 0.293 18.834) 21.698 10.854 ( 0.341 3.367 -12.173) 12.634 16.997 ( 5.505 -2.663 3.943) 7.276 17.190 ( -5.756 6.668 -0.759) 8.841 18.965 ( 0.330 -0.016 -2.123) 2.148 19.010 ( -0.030 4.279 3.944) 5.820 19.229 ( -4.801 -2.634 8.978) 10.517 20.157 ( 4.608 -4.743 -11.518) 13.281 ======================= Grid point 339 (184/294) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -7.223 0.983 -0.737) 7.326 2.166 ( -3.817 -4.800 1.047) 6.221 2.454 ( 2.390 1.659 -0.253) 2.920 2.927 ( 1.654 5.199 0.636) 5.493 3.105 ( 1.066 -3.525 2.596) 4.505 3.198 ( -6.179 -3.149 3.961) 7.987 5.095 ( 0.520 1.114 4.465) 4.631 5.457 ( -6.065 -0.289 -5.208) 7.999 5.717 ( 4.486 -6.702 -2.870) 8.560 7.040 ( 8.245 6.331 -13.084) 16.711 7.366 ( -4.228 -0.900 -7.527) 8.680 7.544 ( 6.413 4.625 -0.478) 7.921 7.653 ( 2.856 -8.553 -6.117) 10.896 7.988 ( -8.298 3.741 -8.225) 12.268 8.222 ( 2.658 -4.046 -0.649) 4.884 9.434 ( 5.038 -7.942 12.650) 15.763 10.179 ( -11.345 9.162 13.099) 19.602 10.862 ( 5.161 0.225 -5.388) 7.464 17.021 ( -1.606 -0.320 -4.971) 5.234 17.187 ( -0.946 1.007 8.698) 8.807 18.964 ( 0.826 0.432 -2.000) 2.206 19.073 ( -0.043 1.969 5.855) 6.178 19.170 ( -5.601 -1.325 7.515) 9.466 20.143 ( 6.296 -1.806 -12.838) 14.412 ======================= Grid point 340 (185/294) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -11.474 -4.348 -2.892) 12.606 1.927 ( -13.472 -5.360 -6.099) 15.730 2.520 ( -3.106 1.729 6.900) 7.762 2.927 ( -4.392 -0.983 2.529) 5.162 3.092 ( -4.557 -3.104 1.541) 5.725 3.204 ( 9.493 1.219 2.093) 9.797 5.153 ( 0.888 2.101 4.505) 5.049 5.336 ( -3.873 -0.712 -4.779) 6.193 5.705 ( 3.460 -5.796 -3.104) 7.429 7.133 ( 2.446 2.193 -7.320) 8.024 7.284 ( 1.754 5.357 -11.127) 12.473 7.572 ( -2.621 -0.921 -8.296) 8.748 7.685 ( 6.055 4.645 -6.953) 10.324 7.863 ( -2.729 4.290 -5.297) 7.342 8.213 ( 2.038 -6.002 0.737) 6.381 9.504 ( 4.922 -12.010 15.836) 20.476 10.157 ( -10.259 9.692 5.401) 15.111 10.959 ( 7.767 0.704 0.744) 7.834 16.921 ( -4.830 0.366 -7.038) 8.543 17.243 ( -0.607 -2.196 12.425) 12.632 18.973 ( 0.977 0.750 -1.662) 2.068 19.081 ( -1.314 -5.627 7.124) 9.173 19.159 ( -2.982 5.815 4.153) 7.744 20.162 ( 6.648 -0.027 -12.811) 14.433 ======================= Grid point 341 (186/294) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -13.311 -8.920 -2.165) 16.169 1.605 ( -18.796 0.866 -5.610) 19.634 2.443 ( -11.950 -2.873 10.975) 16.478 2.858 ( -3.679 -2.080 2.550) 4.936 2.999 ( -4.704 -2.400 2.353) 5.782 3.411 ( 11.747 2.244 -0.151) 11.960 5.175 ( -1.063 -2.257 0.480) 2.541 5.296 ( -0.689 3.275 1.193) 3.553 5.687 ( 2.541 -3.846 -2.873) 5.432 7.072 ( -3.992 0.075 -2.731) 4.837 7.286 ( -6.587 4.728 -9.768) 12.695 7.546 ( 6.497 11.586 -13.477) 18.923 7.731 ( 5.944 -1.276 -7.121) 9.363 7.948 ( 5.750 7.964 -4.596) 10.844 8.190 ( 1.942 -7.223 2.277) 7.819 9.573 ( 4.696 -11.296 17.217) 21.120 10.077 ( -8.777 2.757 -0.349) 9.206 11.116 ( 6.912 3.808 2.359) 8.236 16.807 ( -4.500 0.318 -5.756) 7.313 17.260 ( -4.007 -3.265 12.897) 13.895 18.987 ( 0.978 0.684 -1.390) 1.832 19.063 ( 0.620 -4.571 5.572) 7.234 19.186 ( -2.713 4.022 3.228) 5.827 20.198 ( 6.594 1.254 -12.204) 13.928 ======================= Grid point 346 (187/294) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -0.398 4.277 18.720) 19.207 1.434 ( -9.969 0.136 20.218) 22.542 2.106 ( -1.454 9.295 20.012) 22.113 2.811 ( 1.448 2.581 1.965) 3.552 2.858 ( -2.173 1.090 1.838) 3.048 3.764 ( 2.363 -3.345 -3.481) 5.375 5.160 ( 2.296 2.629 4.722) 5.872 5.310 ( -5.439 2.684 4.588) 7.605 5.884 ( 0.316 -2.960 1.672) 3.414 7.013 ( 7.196 -6.928 2.987) 10.426 7.444 ( -5.587 -4.688 5.035) 8.862 7.734 ( 6.569 -5.784 -6.507) 10.906 7.961 ( -7.346 -4.472 -5.882) 10.419 8.153 ( -0.832 3.615 -3.035) 4.793 8.238 ( -1.837 -13.228 -0.391) 13.361 9.460 ( 15.245 18.029 -8.107) 24.964 9.843 ( -16.723 7.301 -1.871) 18.343 11.246 ( 8.900 -11.130 1.331) 14.313 16.750 ( -2.935 -2.690 3.581) 5.355 16.991 ( 0.898 8.754 4.511) 9.888 18.938 ( 3.206 2.586 -2.315) 4.725 19.011 ( -0.258 -0.682 -0.369) 0.817 19.129 ( -3.807 3.287 -0.429) 5.048 20.582 ( 1.995 -8.556 -1.686) 8.945 ======================= Grid point 347 (188/294) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -3.165 2.958 18.268) 18.774 1.538 ( 4.168 1.850 22.100) 22.565 2.304 ( 1.433 9.543 13.935) 16.949 2.830 ( -2.555 2.406 2.152) 4.116 2.898 ( 2.200 3.164 1.957) 4.322 3.721 ( -0.509 -4.434 -3.860) 5.901 5.209 ( -2.868 1.323 4.674) 5.641 5.338 ( 2.190 3.827 4.190) 6.082 5.854 ( -0.294 -5.114 1.645) 5.380 7.102 ( 7.288 -6.927 4.215) 10.902 7.296 ( -6.914 -7.933 6.676) 12.462 7.674 ( 1.542 -13.386 -7.340) 15.344 7.772 ( -3.283 -4.085 -8.329) 9.840 8.124 ( 2.871 -10.894 -0.614) 11.283 8.165 ( -1.362 3.959 -3.794) 5.650 9.607 ( -16.473 12.565 -3.204) 20.965 9.837 ( 13.182 13.328 -4.374) 19.249 11.265 ( 3.152 -8.976 0.724) 9.541 16.722 ( -0.136 -2.433 3.664) 4.400 17.145 ( 1.936 11.983 3.741) 12.701 18.987 ( -0.423 -0.275 -0.932) 1.060 19.034 ( 4.796 3.495 -1.659) 6.161 19.093 ( -3.806 4.256 -1.783) 5.982 20.464 ( -2.260 -13.629 -0.132) 13.815 ======================= Grid point 348 (189/294) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 2.349 5.303 17.483) 18.420 1.781 ( 7.121 1.492 18.129) 19.535 2.478 ( 2.468 6.379 6.244) 9.261 2.834 ( -2.553 4.172 3.631) 6.092 2.977 ( 2.130 3.315 1.534) 4.229 3.622 ( -2.941 -5.260 -3.613) 7.026 5.184 ( -3.991 0.266 4.552) 6.060 5.447 ( 4.414 2.040 1.864) 5.207 5.808 ( -0.161 -5.640 1.927) 5.962 7.028 ( -8.040 -4.971 1.467) 9.566 7.321 ( 9.302 -6.029 6.369) 12.784 7.501 ( 1.983 -14.643 -11.631) 18.806 7.661 ( 0.701 -7.393 -3.584) 8.245 8.070 ( 2.342 -8.526 -0.132) 8.843 8.164 ( -0.769 2.895 -3.160) 4.354 9.473 ( -13.068 14.696 -2.325) 19.802 10.120 ( 9.943 7.200 1.513) 12.369 11.181 ( -4.098 -5.026 -3.487) 7.363 16.744 ( 2.668 -2.235 3.905) 5.231 17.295 ( -0.473 12.895 1.441) 12.984 18.966 ( -0.301 -1.196 -0.652) 1.395 19.058 ( -3.783 5.500 -1.095) 6.765 19.157 ( 5.725 3.295 -0.765) 6.650 20.277 ( -3.390 -15.077 -0.352) 15.457 ======================= Grid point 349 (190/294) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 8.007 6.758 13.925) 17.427 1.992 ( 4.915 1.700 12.742) 13.762 2.555 ( 0.992 -0.087 -1.401) 1.719 2.877 ( -1.982 6.821 5.175) 8.788 3.037 ( 1.604 1.577 -0.051) 2.250 3.498 ( -4.148 -4.783 -1.240) 6.451 5.146 ( -3.744 -0.440 4.207) 5.649 5.519 ( 4.313 -2.211 -1.553) 5.089 5.765 ( -1.522 -3.867 1.639) 4.467 6.889 ( -4.076 -1.059 -2.720) 5.014 7.343 ( 6.061 -15.820 -13.312) 21.546 7.397 ( 2.604 -4.134 -0.950) 4.977 7.666 ( 5.364 -3.500 5.899) 8.707 8.045 ( 2.759 -6.902 2.410) 7.814 8.153 ( -0.414 0.963 -2.396) 2.615 9.420 ( -8.645 13.285 -1.850) 15.958 10.307 ( 4.932 0.756 8.543) 9.893 11.016 ( -7.727 -0.203 -8.790) 11.705 16.810 ( 4.879 -2.322 4.183) 6.833 17.372 ( -4.348 11.412 -1.275) 12.279 18.947 ( 0.320 -1.703 -1.078) 2.041 19.064 ( -2.750 7.155 1.586) 7.828 19.264 ( 3.535 1.505 2.453) 4.559 20.088 ( -1.367 -13.586 -3.737) 14.157 ======================= Grid point 350 (191/294) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 10.963 6.747 9.637) 16.081 2.116 ( 0.239 2.436 7.005) 7.420 2.493 ( -2.258 -5.060 -5.794) 8.017 2.941 ( -1.539 6.342 3.535) 7.422 3.057 ( 1.433 -1.327 -1.107) 2.245 3.392 ( -4.807 -3.410 2.463) 6.388 5.116 ( -2.244 -0.020 3.596) 4.239 5.539 ( 4.743 -5.439 -2.980) 7.808 5.684 ( -5.416 -2.631 -0.998) 6.104 6.853 ( 1.938 3.292 -7.462) 8.383 7.240 ( 8.091 -14.172 -12.180) 20.363 7.393 ( 2.788 -2.137 -0.202) 3.518 7.739 ( -2.021 2.943 4.519) 5.759 8.058 ( 3.830 -6.258 2.057) 7.619 8.156 ( 1.308 0.247 0.518) 1.428 9.400 ( -4.740 6.164 -0.058) 7.776 10.410 ( -0.016 -1.206 14.198) 14.250 10.847 ( -5.803 2.708 -12.532) 14.073 16.902 ( 5.866 -2.476 3.825) 7.428 17.356 ( -7.021 8.050 -2.293) 10.925 18.934 ( 0.758 -1.222 -1.550) 2.115 19.117 ( -2.132 7.408 5.070) 9.227 19.316 ( -1.235 -0.650 6.259) 6.412 19.952 ( 3.549 -9.597 -9.459) 13.934 ======================= Grid point 351 (192/294) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -6.347 2.841 -1.203) 7.057 2.174 ( 2.423 -0.894 6.151) 6.671 2.394 ( 3.627 -0.260 -4.003) 5.408 2.981 ( -1.475 4.298 1.157) 4.689 3.056 ( 1.810 -3.263 0.031) 3.732 3.293 ( -6.188 -3.808 4.361) 8.475 5.126 ( 0.155 1.722 2.904) 3.380 5.536 ( -6.933 -3.438 -3.399) 8.452 5.547 ( 4.637 -5.320 -2.549) 7.504 6.912 ( 5.966 7.017 -10.546) 14.002 7.190 ( 7.896 -10.308 -9.354) 16.003 7.455 ( 4.875 1.037 -0.715) 5.035 7.723 ( -6.296 5.185 3.757) 8.980 8.043 ( -0.440 -2.697 -2.899) 3.984 8.182 ( -0.310 0.326 0.345) 0.567 9.385 ( 0.019 -4.163 5.919) 7.236 10.462 ( -5.960 4.673 10.428) 12.888 10.753 ( 2.231 -0.913 -7.662) 8.032 16.979 ( 3.416 -1.691 0.225) 3.818 17.296 ( -5.605 3.367 1.884) 6.805 18.932 ( 1.248 -0.422 -1.677) 2.133 19.168 ( -3.366 2.124 8.440) 9.332 19.299 ( -4.668 1.784 5.544) 7.464 19.914 ( 8.078 -4.680 -12.767) 15.816 ======================= Grid point 352 (193/294) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -11.612 -3.861 -4.115) 12.911 2.089 ( -9.978 0.795 -0.531) 10.024 2.553 ( 6.529 3.882 2.452) 7.982 2.987 ( -2.005 0.948 0.758) 2.343 3.072 ( 4.220 -2.552 0.680) 4.978 3.178 ( -5.692 -4.489 4.502) 8.533 5.180 ( 1.172 2.731 2.071) 3.623 5.378 ( -5.434 -1.814 -3.889) 6.924 5.562 ( 4.551 -5.234 -1.085) 7.020 7.040 ( 7.549 8.913 -9.676) 15.168 7.189 ( 6.436 -3.227 -7.115) 10.122 7.506 ( 0.663 1.712 -4.703) 5.048 7.732 ( -1.724 7.283 2.759) 7.977 7.949 ( -6.741 3.375 -8.925) 11.683 8.150 ( -0.666 -4.154 0.322) 4.220 9.413 ( 4.425 -9.746 13.134) 16.943 10.389 ( -10.056 3.218 -2.439) 10.836 10.840 ( 9.069 -0.226 4.500) 10.127 16.957 ( -3.073 0.617 -5.711) 6.514 17.294 ( -0.205 -1.977 9.964) 10.161 18.944 ( 1.539 0.129 -1.690) 2.289 19.131 ( -4.731 -4.856 8.304) 10.720 19.297 ( -4.030 5.937 2.871) 7.728 19.955 ( 8.813 -0.358 -12.153) 15.017 ======================= Grid point 353 (194/294) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -13.127 -2.419 -0.822) 13.373 1.893 ( -15.715 3.670 -1.465) 16.204 2.613 ( -3.856 -0.054 4.518) 5.941 2.921 ( -5.683 -4.215 3.600) 7.939 3.067 ( -3.577 -1.505 2.766) 4.766 3.221 ( 11.596 -0.422 -0.496) 11.614 5.173 ( -2.477 -2.792 -1.695) 4.099 5.348 ( 0.914 5.125 0.952) 5.292 5.582 ( 3.589 -3.697 0.005) 5.153 7.140 ( -0.170 4.234 0.317) 4.249 7.292 ( 7.794 10.115 -11.114) 16.929 7.475 ( -0.030 1.648 -7.580) 7.757 7.709 ( -7.582 8.468 -11.814) 16.394 7.912 ( 3.432 5.159 -2.788) 6.795 8.112 ( 1.554 -6.744 2.787) 7.460 9.498 ( 5.710 -10.003 17.252) 20.744 10.194 ( -9.796 -3.982 -6.334) 12.326 11.040 ( 9.205 2.638 5.293) 10.942 16.859 ( -4.907 1.532 -5.719) 7.690 17.336 ( -0.336 -4.497 12.441) 13.233 18.961 ( 1.521 0.214 -1.628) 2.238 19.068 ( -2.356 -4.407 5.993) 7.803 19.286 ( -3.759 2.057 1.000) 4.400 20.035 ( 7.402 3.818 -10.332) 13.271 ======================= Grid point 358 (195/294) ======================= q-point: ( 0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -6.500 7.672 14.954) 18.021 1.732 ( -11.866 1.069 14.627) 18.865 2.308 ( -2.323 5.250 13.913) 15.051 2.807 ( 3.460 2.584 1.815) 4.684 2.930 ( -3.675 0.732 2.686) 4.611 3.652 ( 4.729 -3.716 -3.238) 6.830 5.170 ( 3.353 3.141 4.544) 6.462 5.440 ( -5.273 0.485 2.243) 5.751 5.857 ( 0.198 -3.133 0.698) 3.216 6.891 ( 2.279 -3.011 -1.480) 4.056 7.394 ( 0.844 -11.836 -4.150) 12.571 7.614 ( 2.650 -0.466 -1.479) 3.071 8.010 ( -4.182 -2.734 -1.781) 5.304 8.171 ( -0.115 1.260 -6.148) 6.277 8.223 ( -11.250 -9.729 2.947) 15.163 9.329 ( 15.092 17.607 -7.227) 24.290 10.127 ( -10.017 3.644 5.046) 11.794 10.982 ( 10.033 -10.123 -2.120) 14.409 16.812 ( -4.878 -2.823 3.967) 6.892 17.080 ( 1.230 8.376 3.188) 9.046 18.914 ( 1.569 2.834 -0.950) 3.376 19.002 ( -0.045 -0.688 -1.090) 1.290 19.206 ( -1.782 1.136 3.160) 3.802 20.449 ( 2.825 -6.466 -5.204) 8.768 ======================= Grid point 359 (196/294) ======================= q-point: ( 0.33 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -3.413 5.369 15.422) 16.683 1.693 ( -5.265 0.902 19.925) 20.629 2.423 ( 0.934 6.278 7.027) 9.469 2.898 ( 1.379 2.020 1.373) 2.805 2.913 ( -0.871 3.399 3.927) 5.266 3.646 ( 1.705 -4.386 -3.617) 5.935 5.269 ( 0.967 2.361 4.203) 4.917 5.391 ( -2.406 1.354 2.100) 3.468 5.812 ( -0.422 -6.178 0.660) 6.227 6.938 ( 7.203 -4.464 2.840) 8.937 7.250 ( 0.422 -14.163 -5.427) 15.173 7.591 ( -2.598 -6.231 1.217) 6.859 7.800 ( -12.515 -6.148 -3.861) 14.469 8.011 ( -0.314 -9.428 0.334) 9.439 8.197 ( -0.510 4.447 -3.807) 5.876 9.695 ( 14.977 15.031 -5.489) 21.918 9.965 ( -15.257 7.805 -1.394) 17.194 11.077 ( 10.039 -8.440 1.519) 13.203 16.746 ( -2.753 -2.513 3.875) 5.377 17.237 ( 3.214 11.927 2.896) 12.688 18.970 ( 1.097 0.371 -1.582) 1.961 18.998 ( 2.076 2.834 -0.353) 3.530 19.190 ( -3.626 3.148 0.511) 4.829 20.353 ( -0.347 -12.599 -2.820) 12.915 ======================= Grid point 360 (197/294) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -1.807 4.879 14.967) 15.846 1.818 ( 3.296 -0.259 20.552) 20.817 2.518 ( 1.265 4.888 -0.292) 5.058 2.910 ( -0.826 1.945 1.624) 2.665 3.003 ( 1.468 4.911 3.485) 6.198 3.586 ( -1.004 -4.476 -3.339) 5.674 5.273 ( -3.191 -0.168 3.329) 4.614 5.419 ( 1.503 0.249 1.119) 1.891 5.756 ( 0.794 -6.238 1.417) 6.446 7.034 ( 3.464 -6.646 1.871) 7.725 7.121 ( 6.046 -11.257 -2.979) 13.120 7.399 ( -10.037 -11.207 5.434) 15.996 7.589 ( -2.597 -5.590 -6.384) 8.874 7.958 ( 2.091 -6.355 -0.180) 6.693 8.205 ( -1.140 4.442 -3.171) 5.576 9.804 ( -13.822 10.774 -1.357) 17.578 10.011 ( 12.403 9.454 -2.408) 15.780 11.120 ( 3.099 -5.837 -1.657) 6.814 16.726 ( -0.002 -2.146 4.036) 4.571 17.415 ( 1.938 13.363 0.401) 13.509 18.949 ( -0.268 -1.976 -1.027) 2.243 19.097 ( 4.546 4.287 -1.072) 6.340 19.170 ( -3.436 5.266 0.428) 6.303 20.181 ( -2.682 -15.645 -0.873) 15.898 ======================= Grid point 361 (198/294) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 3.203 4.606 13.365) 14.495 2.002 ( 5.295 -1.124 16.924) 17.768 2.541 ( -0.594 2.122 -5.467) 5.894 2.924 ( 0.752 0.363 -0.838) 1.183 3.079 ( -0.635 5.164 2.877) 5.945 3.505 ( -2.343 -3.054 -1.233) 4.042 5.230 ( -3.942 -0.739 3.435) 5.281 5.417 ( 2.026 -5.501 -1.910) 6.166 5.750 ( 1.375 -2.528 2.276) 3.669 6.945 ( -2.444 -5.959 -0.815) 6.492 7.047 ( -0.775 -12.790 -6.877) 14.543 7.335 ( 2.716 -2.313 2.585) 4.406 7.535 ( 7.133 -7.689 5.527) 11.855 7.946 ( 2.783 -5.129 0.362) 5.846 8.199 ( -2.463 3.809 -2.109) 5.002 9.693 ( -11.702 11.312 -2.363) 16.447 10.242 ( 8.815 3.218 2.346) 9.672 11.052 ( -3.354 -2.425 -6.062) 7.340 16.752 ( 2.605 -2.160 4.126) 5.336 17.529 ( -2.335 12.287 -2.967) 12.854 18.922 ( -0.012 -1.931 -0.812) 2.095 19.177 ( 0.637 6.286 -0.805) 6.369 19.220 ( 2.558 3.801 2.939) 5.443 19.977 ( -3.321 -15.740 -1.102) 16.124 ======================= Grid point 362 (199/294) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 7.927 3.754 10.049) 13.338 2.158 ( 3.551 -0.238 11.692) 12.222 2.466 ( -3.919 -1.371 -8.227) 9.215 2.931 ( 2.696 -2.145 -2.380) 4.187 3.108 ( -2.942 4.703 0.959) 5.630 3.443 ( -3.003 -1.863 1.528) 3.850 5.178 ( -3.362 -0.914 2.317) 4.184 5.390 ( 3.824 -6.853 -1.654) 8.020 5.738 ( -2.865 -1.122 0.218) 3.084 6.855 ( -3.555 0.874 -2.917) 4.681 6.933 ( 6.739 -11.266 -7.163) 14.955 7.334 ( 1.663 -2.515 0.173) 3.020 7.721 ( 11.010 -3.030 10.961) 15.829 7.952 ( 2.945 -4.811 1.260) 5.780 8.178 ( -2.383 2.424 -0.113) 3.401 9.588 ( -10.766 8.294 -3.804) 14.113 10.397 ( 6.417 -0.942 6.374) 9.093 10.910 ( -6.817 0.615 -9.162) 11.436 16.816 ( 4.634 -2.342 3.950) 6.523 17.528 ( -6.648 8.818 -5.029) 12.134 18.905 ( 0.413 -1.287 -0.685) 1.515 19.263 ( -1.798 8.696 6.332) 10.906 19.313 ( 4.723 1.328 1.093) 5.026 19.779 ( -1.478 -13.579 -4.641) 14.426 ======================= Grid point 363 (200/294) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 9.393 2.036 6.850) 11.803 2.236 ( -3.954 2.990 3.239) 5.921 2.317 ( -1.565 -4.010 -5.650) 7.103 2.951 ( 4.005 -2.890 -1.444) 5.146 3.086 ( -3.969 3.177 -1.325) 5.254 3.374 ( -4.778 -3.189 3.128) 6.541 5.150 ( -0.323 0.615 0.166) 0.714 5.397 ( 4.122 -5.810 1.219) 7.227 5.632 ( -7.262 -1.205 -2.485) 7.769 6.844 ( 3.405 4.621 -8.111) 9.937 6.939 ( 6.920 -5.177 -3.234) 9.227 7.380 ( 4.906 -0.789 1.806) 5.287 7.869 ( -0.269 2.918 6.013) 6.689 7.963 ( 2.981 -5.142 1.154) 6.055 8.189 ( 1.103 0.353 2.948) 3.168 9.454 ( -8.575 1.932 -2.391) 9.109 10.534 ( 6.480 -0.685 8.187) 10.463 10.739 ( -7.764 0.399 -9.859) 12.555 16.897 ( 5.027 -2.250 2.667) 6.119 17.439 ( -7.721 4.397 -3.576) 9.578 18.903 ( 0.853 -0.412 -0.621) 1.133 19.299 ( -4.305 -2.043 10.384) 11.426 19.419 ( -1.364 8.550 2.676) 9.063 19.656 ( 6.861 -7.648 -10.735) 14.860 ======================= Grid point 364 (201/294) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -11.214 0.074 -4.221) 11.982 2.221 ( -3.151 -0.740 5.080) 6.023 2.428 ( 11.651 3.605 -0.999) 12.236 2.983 ( 3.816 -3.076 -0.414) 4.919 3.036 ( -3.082 1.123 -1.577) 3.639 3.264 ( -6.442 -4.943 3.924) 9.018 5.184 ( 2.331 3.003 -1.196) 3.985 5.387 ( -1.634 -6.051 0.510) 6.288 5.515 ( -2.296 0.639 -0.328) 2.406 6.946 ( 8.170 8.558 -10.281) 15.675 7.013 ( 6.685 -0.371 -0.630) 6.724 7.475 ( 4.306 1.634 0.408) 4.623 7.877 ( -4.679 4.778 3.304) 7.460 7.957 ( 0.682 -3.138 -0.197) 3.218 8.189 ( -4.392 1.191 -2.128) 5.024 9.362 ( -0.788 -5.012 5.386) 7.399 10.527 ( -10.162 -1.528 -7.274) 12.590 10.717 ( 9.884 -0.205 6.009) 11.569 16.947 ( 1.552 -0.809 -1.426) 2.257 17.352 ( -3.786 -0.453 2.663) 4.651 18.915 ( 1.133 0.192 -0.690) 1.341 19.224 ( -6.209 -6.109 8.148) 11.928 19.414 ( -3.871 1.547 -1.117) 4.316 19.751 ( 9.939 5.192 -6.848) 13.139 ======================= Grid point 365 (202/294) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -11.848 2.169 -0.302) 12.049 2.138 ( -9.893 1.608 2.754) 10.394 2.605 ( 6.158 1.896 -2.723) 6.995 2.986 ( -2.375 -1.839 0.121) 3.006 3.035 ( 5.980 -3.089 2.675) 7.243 3.142 ( -4.740 -3.636 2.385) 6.432 5.190 ( -3.833 -2.263 -1.721) 4.772 5.344 ( 3.589 3.283 -1.878) 5.214 5.541 ( 1.266 0.181 4.109) 4.304 7.136 ( 5.969 8.869 -3.239) 11.171 7.136 ( 11.398 6.084 -5.872) 14.192 7.517 ( -2.188 3.738 -1.399) 4.551 7.888 ( -2.312 4.813 0.669) 5.381 7.900 ( -6.048 3.778 -7.969) 10.694 8.073 ( -3.383 -2.242 -1.785) 4.434 9.404 ( 6.181 -8.630 12.821) 16.645 10.271 ( -11.409 -6.800 -6.254) 14.680 10.927 ( 10.703 1.299 4.234) 11.583 16.911 ( -3.194 1.383 -4.510) 5.696 17.348 ( 1.013 -4.588 8.555) 9.761 18.932 ( 1.176 0.188 -0.809) 1.440 19.118 ( -4.541 -4.773 4.535) 7.997 19.337 ( -3.271 -3.438 -1.983) 5.143 19.929 ( 7.027 9.954 -4.861) 13.119 ======================= Grid point 370 (203/294) ======================= q-point: ( 0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -10.043 7.635 10.467) 16.393 1.990 ( -7.964 3.700 7.980) 11.866 2.459 ( -4.863 0.303 9.632) 10.794 2.762 ( 5.673 1.769 0.435) 5.959 3.016 ( -3.994 0.094 3.228) 5.136 3.508 ( 6.659 -3.631 -1.932) 7.827 5.163 ( 4.288 2.958 4.196) 6.689 5.493 ( -2.169 -2.992 -1.313) 3.922 5.834 ( -0.675 -2.439 -0.393) 2.561 6.867 ( -3.253 0.998 -6.472) 7.312 7.249 ( -1.055 -11.510 -4.189) 12.294 7.559 ( 2.294 -0.231 -2.677) 3.533 8.002 ( -0.869 -5.131 -1.359) 5.379 8.148 ( 0.534 2.822 -6.469) 7.078 8.372 ( -10.819 -3.970 0.619) 11.541 9.238 ( 9.582 12.995 -0.859) 16.169 10.264 ( 3.701 -1.533 15.604) 16.110 10.761 ( 1.562 -4.851 -10.100) 11.313 16.896 ( -5.757 -3.365 3.936) 7.743 17.141 ( 2.364 7.574 1.742) 8.123 18.927 ( 0.272 2.889 0.619) 2.967 18.991 ( -0.106 0.020 -1.195) 1.199 19.244 ( 1.014 -0.962 6.963) 7.102 20.316 ( 1.510 -4.382 -9.282) 10.374 ======================= Grid point 371 (204/294) ======================= q-point: ( 0.33 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -6.069 6.026 12.426) 15.084 1.933 ( -8.994 2.192 12.855) 15.842 2.480 ( 0.389 1.923 2.873) 3.479 2.878 ( 4.861 2.987 1.198) 5.830 2.985 ( -2.470 0.512 3.706) 4.483 3.545 ( 3.661 -3.578 -2.306) 5.614 5.278 ( 3.210 1.788 3.072) 4.790 5.430 ( -1.593 -1.411 -0.983) 2.344 5.770 ( -1.578 -6.111 -0.246) 6.316 6.838 ( 2.648 -1.157 -0.988) 3.054 7.080 ( -1.272 -12.864 -5.807) 14.171 7.558 ( 0.571 -2.150 -2.889) 3.646 7.931 ( -1.998 -3.886 -1.101) 4.506 8.002 ( -14.355 -9.773 2.583) 17.557 8.225 ( -2.029 1.724 -1.606) 3.110 9.553 ( 14.564 13.555 -5.098) 20.538 10.241 ( -11.386 3.262 2.945) 12.205 10.828 ( 12.648 -4.803 0.131) 13.530 16.806 ( -4.505 -2.637 3.947) 6.544 17.294 ( 4.404 10.456 1.436) 11.436 18.949 ( 0.266 -0.525 -1.494) 1.606 19.015 ( 0.893 5.059 1.567) 5.371 19.266 ( -1.851 0.546 3.814) 4.275 20.212 ( 0.442 -10.408 -7.099) 12.606 ======================= Grid point 372 (205/294) ======================= q-point: ( 0.42 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -3.658 4.187 11.796) 13.041 1.927 ( -3.295 -0.964 17.188) 17.528 2.521 ( 1.704 3.015 -3.556) 4.964 2.941 ( -1.063 0.923 0.847) 1.643 3.028 ( 3.359 3.228 3.066) 5.577 3.536 ( 0.812 -2.782 -2.134) 3.599 5.301 ( -0.036 -2.930 0.131) 2.933 5.418 ( -0.839 -0.233 1.074) 1.382 5.694 ( 0.382 -5.784 0.481) 5.816 6.877 ( 3.282 -10.092 -3.171) 11.076 6.960 ( 4.514 -3.228 1.607) 5.778 7.492 ( -3.641 -6.118 1.356) 7.247 7.640 ( -16.708 -9.194 1.206) 19.109 7.884 ( 0.519 -4.889 0.481) 4.940 8.232 ( 0.324 3.787 -3.151) 4.937 9.867 ( 13.568 10.120 -5.419) 17.773 10.096 ( -12.098 5.596 1.806) 13.452 10.969 ( 8.390 -3.430 -1.096) 9.130 16.753 ( -2.480 -2.148 4.360) 5.456 17.479 ( 4.630 12.122 -1.443) 13.056 18.928 ( -0.171 -1.721 -1.243) 2.130 19.099 ( 0.877 5.912 1.298) 6.116 19.261 ( -1.914 2.576 2.587) 4.122 20.056 ( -0.991 -14.183 -4.179) 14.819 ======================= Grid point 373 (206/294) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -0.875 2.468 10.342) 10.668 2.010 ( 3.072 -4.442 17.248) 18.074 2.537 ( 0.052 3.728 -7.227) 8.132 2.912 ( -1.478 -1.230 -1.705) 2.570 3.129 ( 2.120 3.866 2.264) 4.956 3.505 ( -0.839 -1.089 -1.318) 1.905 5.273 ( 0.161 -2.702 0.670) 2.789 5.352 ( -3.312 -6.140 -0.155) 6.978 5.705 ( 3.302 -1.536 1.894) 4.105 6.779 ( 2.481 -10.008 -4.471) 11.239 7.072 ( 0.158 -1.714 4.962) 5.252 7.330 ( -5.097 -6.852 8.846) 12.296 7.421 ( -1.136 -6.756 -1.619) 7.039 7.868 ( 1.907 -3.560 0.361) 4.055 8.250 ( -0.711 4.015 -2.575) 4.822 9.958 ( -10.452 8.147 -2.899) 13.565 10.126 ( 9.779 3.443 1.045) 10.420 11.008 ( 1.770 -1.437 -5.227) 5.703 16.739 ( -0.123 -2.114 4.473) 4.949 17.626 ( 1.439 11.728 -5.435) 13.006 18.903 ( -0.182 -1.533 -0.555) 1.640 19.152 ( 1.411 3.522 -2.035) 4.306 19.312 ( -0.151 5.349 6.679) 8.558 19.871 ( -2.304 -14.866 -2.443) 15.241 ======================= Grid point 374 (207/294) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 3.903 -0.020 7.968) 8.873 2.134 ( 5.551 -5.679 14.192) 16.263 2.494 ( -3.921 3.573 -8.315) 9.863 2.867 ( 0.100 -1.771 -3.041) 3.521 3.180 ( -0.861 2.677 0.417) 2.843 3.473 ( -1.610 -0.514 -0.758) 1.852 5.227 ( -4.123 -4.340 0.385) 5.999 5.281 ( 2.817 -3.447 0.894) 4.541 5.749 ( 0.990 -0.729 1.332) 1.813 6.729 ( 3.747 -7.037 -2.991) 8.515 6.947 ( -8.069 -1.431 1.838) 8.399 7.301 ( -0.710 -3.419 0.912) 3.609 7.529 ( 14.360 -5.163 12.691) 19.848 7.879 ( 2.617 -2.729 0.687) 3.843 8.249 ( -2.418 3.621 -1.331) 4.553 9.829 ( -12.066 7.037 -3.635) 14.434 10.293 ( 8.288 -0.609 1.919) 8.529 10.947 ( -3.505 0.543 -8.001) 8.752 16.763 ( 2.283 -2.283 4.311) 5.386 17.659 ( -4.002 8.574 -8.403) 12.654 18.889 ( 0.072 -0.813 0.100) 0.823 19.222 ( 5.900 2.749 -3.238) 7.270 19.410 ( -0.953 5.473 10.504) 11.883 19.680 ( -3.304 -12.421 -3.086) 13.219 ======================= Grid point 375 (208/294) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 8.886 -2.326 4.278) 10.132 2.241 ( 4.668 -5.405 9.001) 11.491 2.384 ( -7.722 3.781 -5.323) 10.113 2.859 ( 2.577 -0.753 -2.940) 3.981 3.158 ( -3.258 0.998 -1.794) 3.850 3.422 ( -3.033 -2.212 -0.258) 3.763 5.149 ( -0.987 -1.686 -1.302) 2.348 5.324 ( 3.060 -1.462 3.788) 5.084 5.709 ( -4.906 -1.605 -0.928) 5.244 6.733 ( 4.569 -1.959 -2.248) 5.455 6.898 ( -0.511 3.879 0.054) 3.913 7.307 ( 3.797 -3.137 4.047) 6.375 7.780 ( 10.955 -5.030 9.182) 15.154 7.919 ( 3.931 -0.830 3.358) 5.236 8.231 ( -2.765 2.542 0.968) 3.879 9.646 ( -13.432 4.561 -6.019) 15.409 10.424 ( 8.350 -2.230 2.764) 9.074 10.817 ( -7.089 0.746 -8.003) 10.718 16.819 ( 4.097 -2.403 3.754) 6.055 17.569 ( -7.315 4.122 -8.244) 11.767 18.891 ( 0.359 0.062 0.448) 0.577 19.326 ( 5.342 -0.536 -0.616) 5.404 19.466 ( -1.088 -10.987 1.587) 11.154 19.557 ( -1.716 10.028 2.953) 10.593 ======================= Grid point 376 (209/294) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 9.609 -5.045 -1.084) 10.907 2.213 ( -6.548 0.838 -1.734) 6.825 2.357 ( 1.849 1.053 6.514) 6.853 2.892 ( 3.626 0.052 -2.781) 4.570 3.085 ( -3.856 -0.562 -2.189) 4.470 3.328 ( -4.841 -4.210 0.571) 6.441 5.155 ( 2.399 2.583 -2.186) 4.148 5.375 ( 0.589 -2.312 5.013) 5.552 5.581 ( -5.974 -0.838 -2.169) 6.411 6.827 ( 7.030 4.548 -2.025) 8.615 6.973 ( 3.255 6.693 -0.720) 7.478 7.407 ( 6.542 -0.408 4.716) 8.074 7.855 ( 3.077 -5.179 0.860) 6.085 8.017 ( 0.495 2.446 5.526) 6.063 8.233 ( -0.781 0.545 2.956) 3.106 9.433 ( -10.163 0.613 -4.776) 11.246 10.556 ( 6.226 -3.944 1.185) 7.465 10.648 ( -5.929 0.775 -4.653) 7.576 16.886 ( 4.038 -1.953 2.126) 4.964 17.430 ( -6.267 0.040 -4.653) 7.806 18.905 ( 0.488 0.634 0.352) 0.874 19.293 ( -5.258 -8.437 2.626) 10.282 19.371 ( 2.742 -5.014 -4.322) 7.165 19.731 ( 3.506 13.982 3.660) 14.872 ======================= Grid point 377 (210/294) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -8.688 2.452 -1.847) 9.215 2.212 ( 2.239 -6.094 2.249) 6.871 2.483 ( 7.534 2.706 0.629) 8.030 2.922 ( 2.154 -0.288 -3.704) 4.295 3.024 ( -1.036 -1.930 1.634) 2.732 3.204 ( -5.649 -4.357 1.117) 7.220 5.214 ( -0.086 1.554 -2.238) 2.726 5.329 ( -1.590 -0.215 1.291) 2.059 5.553 ( 1.123 1.530 1.487) 2.411 7.011 ( 8.946 8.854 -1.733) 12.705 7.107 ( 5.230 8.024 -1.541) 9.701 7.540 ( 4.288 3.075 3.760) 6.479 7.841 ( 1.443 -4.462 -0.763) 4.751 8.049 ( -2.637 4.141 4.192) 6.455 8.174 ( -9.067 2.747 -5.662) 11.037 9.320 ( 0.528 -5.498 2.179) 5.937 10.375 ( -12.039 -6.640 -1.489) 13.829 10.771 ( 11.192 0.960 0.387) 11.240 16.921 ( 0.719 -0.157 -0.906) 1.167 17.338 ( -1.209 -3.726 1.269) 4.118 18.919 ( 0.424 0.494 -0.126) 0.663 19.153 ( -3.605 -5.691 -1.419) 6.885 19.315 ( -1.672 -6.660 0.938) 6.930 19.941 ( 4.228 14.153 0.258) 14.773 ======================= Grid point 383 (211/294) ======================= q-point: ( 0.25 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -5.235 3.167 6.161) 8.683 2.150 ( -3.261 4.770 3.550) 6.781 2.611 ( -9.295 -1.832 6.079) 11.256 2.660 ( 7.877 1.514 -2.542) 8.414 3.090 ( -3.002 -0.982 2.843) 4.250 3.353 ( 7.861 -3.082 0.983) 8.501 5.140 ( 4.077 1.866 3.550) 5.719 5.454 ( 0.339 -3.789 -3.873) 5.429 5.822 ( -1.073 -2.769 -1.132) 3.178 6.918 ( -6.940 2.933 -11.460) 13.714 7.181 ( -4.589 -8.110 -3.279) 9.879 7.514 ( 1.131 0.911 -3.022) 3.353 7.928 ( 1.767 -6.256 -2.837) 7.093 8.126 ( 2.206 4.045 -5.093) 6.868 8.440 ( -0.493 3.425 -8.278) 8.972 9.284 ( -2.885 1.865 10.544) 11.089 10.168 ( 14.829 -3.041 16.730) 22.562 10.746 ( -7.737 0.073 -9.300) 12.097 16.966 ( -4.184 -3.619 1.070) 5.635 17.174 ( 2.672 5.686 3.447) 7.166 18.949 ( -0.408 0.847 -0.485) 1.058 19.002 ( 0.046 1.858 1.688) 2.511 19.246 ( 3.294 -0.959 8.971) 9.605 20.214 ( -1.356 -2.792 -12.163) 12.553 ======================= Grid point 384 (212/294) ======================= q-point: ( 0.33 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -6.605 4.172 8.755) 11.733 2.147 ( -5.627 5.023 4.068) 8.570 2.500 ( -3.345 -3.591 1.811) 5.231 2.807 ( 7.808 3.325 -0.032) 8.486 3.047 ( -3.013 -1.443 2.975) 4.473 3.438 ( 5.212 -2.443 0.367) 5.768 5.229 ( 3.920 -1.475 0.090) 4.189 5.422 ( 0.503 0.328 -1.011) 1.176 5.741 ( -2.285 -6.684 -0.929) 7.124 6.806 ( -1.858 -0.160 -5.977) 6.262 7.005 ( -4.619 -6.717 -4.257) 9.196 7.517 ( 0.700 0.515 -3.824) 3.921 7.894 ( 0.369 -4.632 0.814) 4.717 8.115 ( -3.846 0.290 -3.901) 5.486 8.305 ( -9.238 -5.510 1.695) 10.889 9.428 ( 10.348 7.689 -0.824) 12.918 10.405 ( -0.028 -1.033 10.916) 10.964 10.631 ( 4.416 1.416 -5.796) 7.423 16.879 ( -4.410 -2.445 2.881) 5.807 17.310 ( 4.738 7.409 1.249) 8.883 18.934 ( -0.387 -0.762 -1.557) 1.776 19.071 ( 1.400 5.865 4.116) 7.300 19.312 ( -0.270 -0.636 6.602) 6.638 20.071 ( -1.053 -7.852 -11.400) 13.883 ======================= Grid point 385 (213/294) ======================= q-point: ( 0.42 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -5.160 1.994 8.942) 10.515 2.105 ( -7.991 0.856 9.506) 12.448 2.472 ( 2.895 -0.273 -4.265) 5.161 2.961 ( 4.613 4.543 0.824) 6.526 3.005 ( -0.534 -2.169 1.776) 2.853 3.481 ( 2.557 -1.704 -0.346) 3.092 5.231 ( 2.085 -4.903 -2.335) 5.817 5.451 ( -0.833 1.513 1.807) 2.499 5.639 ( -0.429 -6.355 -1.095) 6.463 6.750 ( 0.128 -6.311 -2.937) 6.963 6.914 ( 0.783 0.830 0.185) 1.156 7.489 ( -1.706 -0.972 -2.954) 3.546 7.839 ( -7.793 -10.580 6.833) 14.811 7.881 ( -11.434 -4.104 -0.006) 12.148 8.227 ( 0.899 1.061 -2.067) 2.491 9.693 ( 14.128 8.333 -5.800) 17.398 10.319 ( -9.701 0.637 3.647) 10.383 10.796 ( 10.365 1.361 -0.763) 10.482 16.813 ( -3.853 -2.090 4.337) 6.167 17.475 ( 6.279 9.046 -2.767) 11.354 18.911 ( -0.349 -1.121 -1.079) 1.594 19.187 ( 0.016 8.266 5.283) 9.810 19.313 ( -1.648 -0.734 3.932) 4.327 19.903 ( -0.409 -11.739 -8.716) 14.627 ======================= Grid point 386 (214/294) ======================= q-point: ( 0.50 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -2.892 0.038 7.501) 8.039 2.046 ( -3.293 -6.042 12.029) 13.858 2.512 ( 2.729 4.340 -6.259) 8.091 2.933 ( -3.252 -1.553 -0.292) 3.616 3.113 ( 4.988 3.329 1.049) 6.088 3.488 ( 0.783 -1.212 -1.670) 2.208 5.208 ( 1.877 -3.895 -1.153) 4.475 5.386 ( -5.010 -5.234 2.095) 7.542 5.640 ( 3.995 -0.531 -0.213) 4.035 6.671 ( -0.277 -5.194 -1.448) 5.400 7.031 ( 7.149 2.679 5.650) 9.498 7.407 ( -4.272 -3.716 0.216) 5.666 7.494 ( -16.552 -11.358 7.048) 21.275 7.828 ( -0.018 -2.276 0.839) 2.426 8.258 ( 1.726 2.680 -2.638) 4.137 9.938 ( 12.030 6.109 -7.683) 15.527 10.199 ( -8.832 0.433 4.976) 10.147 10.923 ( 4.985 2.128 -4.303) 6.921 16.769 ( -2.477 -2.187 4.926) 5.932 17.629 ( 5.263 9.274 -7.515) 13.045 18.892 ( -0.209 -0.817 -0.220) 0.871 19.210 ( -5.033 4.465 -0.946) 6.794 19.381 ( 2.867 2.751 10.156) 10.906 19.738 ( -0.301 -12.241 -6.269) 13.756 ======================= Grid point 387 (215/294) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -1.084 -2.982 5.326) 6.200 2.055 ( 4.391 -9.782 11.810) 15.951 2.541 ( -1.242 6.396 -6.006) 8.861 2.867 ( -2.688 -0.502 -1.153) 2.968 3.194 ( 1.502 1.304 0.063) 1.990 3.466 ( 0.059 -1.297 -3.528) 3.759 5.202 ( 0.652 -3.141 0.121) 3.210 5.279 ( -2.864 -3.232 2.237) 4.864 5.711 ( 3.916 -0.372 1.345) 4.158 6.643 ( 1.004 -1.810 1.139) 2.363 7.093 ( -8.698 -3.087 4.489) 10.263 7.306 ( -3.477 -5.355 3.002) 7.055 7.370 ( 8.118 -2.045 10.590) 13.499 7.828 ( 1.561 -1.487 0.621) 2.244 8.288 ( 0.319 2.923 -1.986) 3.548 10.032 ( -6.219 5.702 -6.367) 10.570 10.155 ( 5.847 -2.812 2.539) 6.967 10.947 ( -0.523 3.001 -6.821) 7.470 16.754 ( -0.416 -2.392 4.896) 5.465 17.700 ( 0.617 6.884 -11.385) 13.319 18.887 ( -0.027 -0.072 0.676) 0.680 19.178 ( -0.467 2.372 -2.883) 3.763 19.503 ( 0.921 -4.980 13.543) 14.459 19.607 ( -0.498 -1.262 -5.379) 5.548 ======================= Grid point 388 (216/294) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 3.900 -6.614 2.590) 8.103 2.126 ( 7.266 -10.502 9.493) 15.913 2.509 ( -5.519 5.530 -4.162) 8.852 2.838 ( -0.790 2.038 -1.290) 2.538 3.186 ( -1.619 -1.190 -1.595) 2.565 3.422 ( -0.890 -1.809 -4.206) 4.664 5.153 ( -2.025 -1.242 -0.059) 2.376 5.294 ( 2.709 -0.114 2.882) 3.957 5.743 ( -0.884 -1.488 0.889) 1.945 6.684 ( 2.045 2.467 3.582) 4.806 6.974 ( -4.429 0.821 3.232) 5.544 7.255 ( 0.893 -5.828 6.307) 8.634 7.615 ( 11.949 -1.218 10.068) 15.673 7.860 ( 3.448 -0.984 1.816) 4.019 8.298 ( -1.429 2.726 -0.534) 3.124 9.868 ( -13.084 3.344 -5.793) 14.694 10.262 ( 9.101 -2.893 -1.660) 9.693 10.886 ( -5.149 2.689 -6.377) 8.626 16.772 ( 1.865 -2.540 4.557) 5.540 17.637 ( -4.484 2.596 -12.226) 13.279 18.897 ( 0.063 0.742 1.240) 1.447 19.204 ( 4.137 -0.042 -4.569) 6.164 19.419 ( -1.965 -10.619 1.722) 10.936 19.698 ( 0.382 9.502 8.299) 12.622 ======================= Grid point 389 (217/294) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 8.990 -8.603 -1.306) 12.512 2.191 ( 5.772 -9.026 5.520) 12.052 2.436 ( -5.509 2.425 -0.105) 6.020 2.856 ( 0.857 3.061 -1.681) 3.595 3.116 ( -3.073 -2.423 -2.234) 4.507 3.351 ( -2.814 -1.861 -3.283) 4.707 5.145 ( 0.643 3.006 -1.070) 3.255 5.362 ( 2.979 -0.495 3.349) 4.509 5.658 ( -6.331 -2.316 -1.077) 6.827 6.806 ( 3.713 8.046 5.054) 10.201 7.001 ( 1.008 5.255 1.861) 5.665 7.318 ( 6.800 -3.644 8.279) 11.317 7.767 ( 3.973 -2.768 2.560) 5.478 7.976 ( 7.922 -1.188 6.730) 10.462 8.294 ( -2.131 2.246 2.084) 3.732 9.615 ( -14.911 2.189 -9.609) 17.874 10.380 ( 10.221 -3.170 -1.760) 10.845 10.760 ( -8.718 1.347 -3.522) 9.498 16.820 ( 3.563 -2.450 3.943) 5.852 17.483 ( -5.944 -1.205 -9.930) 11.636 18.915 ( -0.069 1.183 1.128) 1.636 19.197 ( 1.774 -5.747 -7.454) 9.578 19.337 ( -0.644 -5.003 3.908) 6.381 19.858 ( 1.063 11.863 7.254) 13.946 ======================= Grid point 390 (218/294) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 10.753 -9.068 -4.278) 14.702 2.184 ( -1.455 -3.418 -0.453) 3.742 2.418 ( 2.797 -3.802 5.575) 7.305 2.889 ( 1.265 2.222 -2.980) 3.927 3.030 ( -2.264 -3.261 -0.310) 3.982 3.262 ( -4.921 -0.142 -1.819) 5.248 5.204 ( 2.237 4.175 -2.054) 5.163 5.383 ( -2.405 -2.320 3.518) 4.852 5.555 ( -1.398 0.999 -2.345) 2.907 7.002 ( 4.966 12.086 3.278) 13.471 7.101 ( 3.386 5.215 2.222) 6.602 7.490 ( 8.641 1.376 7.726) 11.673 7.779 ( 1.042 -2.949 -0.185) 3.134 8.089 ( 2.662 -0.776 2.700) 3.870 8.294 ( -3.606 2.298 3.416) 5.473 9.343 ( -10.355 -1.146 -10.222) 14.596 10.459 ( -0.070 -7.590 2.211) 7.906 10.649 ( -0.044 4.344 -2.664) 5.095 16.881 ( 3.474 -1.681 2.801) 4.769 17.330 ( -3.404 -3.764 -5.819) 7.721 18.925 ( -0.435 0.701 0.104) 0.832 19.105 ( -0.517 -4.939 -5.798) 7.634 19.305 ( -1.502 -5.872 4.761) 7.707 20.035 ( 1.948 13.379 3.033) 13.856 ======================= Grid point 395 (219/294) ======================= q-point: ( 0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 5.881 -1.915 -0.129) 6.186 2.227 ( 1.500 -0.642 4.378) 4.672 2.524 ( 7.122 2.192 -4.271) 8.589 2.791 ( -9.775 -0.116 1.214) 9.851 3.115 ( -0.131 -2.929 1.827) 3.455 3.233 ( 5.532 -0.649 4.919) 7.431 5.120 ( 1.850 0.700 2.883) 3.496 5.388 ( 1.452 -1.294 -3.907) 4.364 5.796 ( -0.711 -4.440 -1.493) 4.738 7.000 ( -9.098 2.774 -12.826) 15.968 7.187 ( -5.340 -2.605 -6.734) 8.980 7.504 ( -0.738 0.851 -4.288) 4.433 7.806 ( 4.125 -4.302 -2.505) 6.465 8.072 ( 6.180 5.621 -6.061) 10.320 8.399 ( 2.220 5.475 -8.997) 10.764 9.448 ( -9.997 -9.178 15.552) 20.640 10.016 ( 14.116 3.205 14.038) 20.164 10.838 ( -8.170 0.232 -5.306) 9.745 16.961 ( 0.209 -1.940 -4.328) 4.748 17.214 ( 1.256 1.321 8.584) 8.775 18.955 ( -0.854 -0.072 -1.381) 1.626 19.024 ( 0.984 -0.159 4.176) 4.293 19.242 ( 3.965 2.290 7.763) 9.012 20.166 ( -4.455 -1.278 -12.467) 13.301 ======================= Grid point 396 (220/294) ======================= q-point: ( 0.33 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 2.637 1.574 3.509) 4.663 2.233 ( -1.216 0.646 1.014) 1.710 2.570 ( -5.403 -1.422 -4.436) 7.133 2.720 ( 4.117 3.188 3.039) 6.029 3.083 ( -1.754 -2.769 2.061) 3.872 3.339 ( 5.600 -1.857 3.262) 6.742 5.154 ( 1.984 -1.854 -1.267) 2.996 5.412 ( 2.219 2.820 -0.244) 3.597 5.701 ( -2.221 -8.369 -0.995) 8.716 6.828 ( -5.958 1.062 -8.265) 10.244 7.033 ( -6.057 -0.565 -5.926) 8.493 7.497 ( 0.668 2.461 -4.712) 5.358 7.838 ( 3.299 -2.427 1.299) 4.297 8.126 ( 0.190 1.793 -3.766) 4.175 8.373 ( -3.966 -2.294 -4.288) 6.275 9.371 ( 1.239 -3.419 7.082) 7.961 10.350 ( 12.093 4.614 10.279) 16.528 10.667 ( -7.924 -1.002 -4.116) 8.985 16.922 ( -1.550 -1.159 -0.561) 2.016 17.307 ( 3.232 2.680 4.326) 6.029 18.930 ( -0.829 -0.455 -1.393) 1.683 19.101 ( 3.572 1.834 5.890) 7.129 19.352 ( 1.385 2.177 6.324) 6.831 19.982 ( -5.096 -4.537 -12.876) 14.573 ======================= Grid point 397 (221/294) ======================= q-point: ( 0.42 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -5.240 -0.748 5.898) 7.925 2.269 ( -0.249 5.644 0.011) 5.650 2.408 ( -4.450 -4.932 -1.485) 6.806 2.884 ( 8.262 3.889 0.593) 9.151 3.036 ( -2.623 -1.913 1.585) 3.613 3.411 ( 3.996 -2.597 0.987) 4.867 5.148 ( 1.574 -2.331 -1.809) 3.344 5.484 ( 1.142 3.781 0.726) 4.015 5.572 ( -1.562 -9.269 -1.321) 9.492 6.727 ( -3.213 -0.401 -2.330) 3.990 6.942 ( -2.485 3.352 -2.836) 5.045 7.495 ( -0.766 2.223 -3.936) 4.585 7.855 ( -0.696 -3.417 4.511) 5.702 8.050 ( -9.953 -3.795 -1.622) 10.775 8.218 ( -3.553 -5.531 1.717) 6.794 9.505 ( 11.909 3.897 -3.764) 13.084 10.468 ( -7.029 -2.949 4.634) 8.921 10.664 ( 9.420 5.553 -0.427) 10.943 16.879 ( -3.133 -1.465 2.979) 4.565 17.423 ( 5.818 4.624 -1.731) 7.631 18.906 ( -0.674 -0.400 -0.788) 1.111 19.236 ( 5.428 0.808 8.849) 10.413 19.401 ( -3.070 4.860 3.570) 6.766 19.770 ( -3.990 -7.910 -12.122) 15.014 ======================= Grid point 398 (222/294) ======================= q-point: ( 0.50 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -3.824 -4.078 5.072) 7.548 2.165 ( -10.376 -4.494 4.897) 12.322 2.455 ( 6.174 5.729 -3.503) 9.122 2.969 ( -2.164 -2.464 1.227) 3.501 3.058 ( 5.788 4.513 -0.278) 7.345 3.429 ( 2.306 -3.705 -2.046) 4.820 5.152 ( 1.476 -0.633 -0.119) 1.610 5.419 ( -4.140 -7.839 2.485) 9.207 5.570 ( 3.711 1.949 -2.836) 5.061 6.677 ( -2.915 1.042 1.655) 3.510 6.997 ( 4.193 5.013 2.200) 6.896 7.453 ( -3.757 -0.067 -1.566) 4.071 7.717 ( -17.151 -12.502 10.427) 23.646 7.841 ( -3.148 -1.119 0.422) 3.367 8.213 ( 3.429 0.037 -2.060) 4.000 9.725 ( 13.752 4.688 -8.682) 16.925 10.344 ( -7.051 -3.763 4.893) 9.371 10.846 ( 6.445 5.874 -2.793) 9.157 16.831 ( -3.580 -2.149 4.912) 6.447 17.550 ( 6.876 5.598 -7.708) 11.749 18.893 ( -0.394 -0.008 0.200) 0.442 19.328 ( -1.803 -2.311 3.102) 4.268 19.437 ( -1.629 7.505 9.146) 11.943 19.585 ( 0.756 -8.457 -9.875) 13.023 ======================= Grid point 399 (223/294) ======================= q-point: (-0.42 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -1.459 -5.976 3.847) 7.256 1.997 ( -4.539 -10.769 6.587) 13.415 2.574 ( 2.077 7.954 -3.300) 8.858 2.914 ( -3.127 -0.043 0.778) 3.223 3.163 ( 3.344 1.298 -0.771) 3.668 3.399 ( 1.787 -4.103 -5.298) 6.935 5.180 ( 1.172 1.118 0.629) 1.737 5.306 ( -3.492 -5.554 2.598) 7.057 5.641 ( 4.825 0.569 -0.190) 4.862 6.682 ( -2.050 4.424 5.175) 7.110 7.143 ( 3.508 1.064 3.585) 5.128 7.372 ( -3.056 -2.018 3.738) 5.233 7.414 ( -13.079 -7.750 11.137) 18.845 7.814 ( -0.418 -0.153 0.529) 0.692 8.264 ( 3.378 1.095 -2.270) 4.214 9.909 ( 11.653 2.674 -10.431) 15.867 10.224 ( -7.343 -3.825 4.421) 9.386 10.943 ( 1.784 5.944 -5.145) 8.061 16.788 ( -2.631 -2.637 5.429) 6.584 17.633 ( 4.587 4.153 -12.406) 13.863 18.897 ( -0.083 0.620 1.192) 1.346 19.242 ( -6.115 1.845 -2.667) 6.922 19.420 ( 1.400 -11.726 -0.975) 11.850 19.642 ( 3.050 7.341 8.372) 11.545 ======================= Grid point 400 (224/294) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -2.631 -9.219 1.964) 9.786 1.945 ( 6.238 -14.108 7.543) 17.171 2.603 ( -3.086 4.537 -4.385) 7.024 2.889 ( -2.267 2.677 0.862) 3.613 3.171 ( -0.205 -2.794 -1.575) 3.214 3.366 ( 1.923 -1.280 -6.470) 6.870 5.191 ( -2.223 1.337 -0.007) 2.594 5.264 ( 1.592 -1.742 2.014) 3.103 5.721 ( 3.239 -0.911 2.192) 4.016 6.761 ( -0.724 8.364 8.675) 12.072 7.074 ( -5.841 -3.888 4.513) 8.343 7.267 ( -4.728 -7.377 9.544) 12.956 7.516 ( 8.729 4.475 8.435) 12.937 7.824 ( 1.198 0.316 0.399) 1.301 8.308 ( 1.914 1.338 -1.449) 2.748 10.014 ( 2.095 2.992 -10.198) 10.833 10.086 ( -2.174 -5.433 -0.272) 5.858 10.956 ( -2.794 5.188 -4.420) 7.366 16.767 ( -0.678 -2.834 5.290) 6.040 17.607 ( -0.336 0.424 -14.370) 14.380 18.915 ( 0.093 1.247 1.719) 2.126 19.168 ( -2.301 0.674 -3.500) 4.243 19.334 ( 1.283 -8.158 -2.383) 8.595 19.818 ( 2.122 7.446 11.577) 13.928 ======================= Grid point 401 (225/294) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 3.121 -12.280 0.145) 12.671 1.985 ( 9.339 -14.571 6.634) 18.536 2.522 ( -5.092 -0.259 -4.850) 7.037 2.880 ( -1.411 1.029 -0.482) 1.812 3.109 ( -1.548 -4.193 -1.991) 4.893 3.355 ( -0.301 3.030 -4.601) 5.517 5.175 ( -1.178 3.181 -0.916) 3.514 5.311 ( 3.777 -0.916 0.894) 3.988 5.718 ( -3.317 -2.349 1.355) 4.284 6.918 ( 0.579 12.239 10.617) 16.213 7.050 ( -0.154 1.586 5.193) 5.432 7.237 ( 3.020 -7.080 10.486) 13.008 7.720 ( 4.417 2.852 4.776) 7.103 7.880 ( 5.747 -0.680 3.493) 6.759 8.336 ( 0.539 1.460 0.573) 1.659 9.814 ( -14.623 0.617 -9.182) 17.277 10.150 ( 11.108 -2.814 -7.473) 13.680 10.901 ( -6.988 3.659 -0.697) 7.919 16.780 ( 1.591 -2.803 5.015) 5.962 17.471 ( -3.724 -3.230 -13.050) 13.950 18.939 ( -0.173 1.624 1.546) 2.249 19.110 ( -0.963 -2.574 -5.192) 5.875 19.296 ( 1.914 -4.058 -0.328) 4.499 19.989 ( 1.454 8.922 10.043) 13.512 ======================= Grid point 402 (226/294) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 9.072 -12.657 -2.647) 15.795 2.044 ( 9.151 -12.906 4.736) 16.515 2.398 ( -3.056 -5.455 -3.249) 7.046 2.864 ( 0.726 -1.044 -2.169) 2.514 3.027 ( -2.082 -4.566 -0.835) 5.088 3.348 ( -3.577 6.388 -2.474) 7.728 5.201 ( 1.163 3.654 -2.272) 4.457 5.363 ( 3.055 -2.042 0.739) 3.748 5.618 ( -5.957 -0.242 -0.340) 5.972 7.079 ( 0.716 6.013 1.013) 6.139 7.149 ( 1.951 9.276 12.179) 15.433 7.385 ( 10.880 -1.512 10.987) 15.536 7.766 ( -0.815 1.368 -0.067) 1.594 8.009 ( 6.351 -2.312 3.764) 7.736 8.370 ( -0.002 1.939 4.492) 4.893 9.486 ( -16.405 0.271 -15.303) 22.437 10.269 ( 11.431 -3.608 -5.664) 13.258 10.805 ( -9.259 3.670 3.923) 10.705 16.826 ( 3.370 -2.522 4.810) 6.392 17.297 ( -3.432 -5.124 -9.885) 11.651 18.947 ( -1.407 0.896 -0.347) 1.703 19.041 ( -0.126 -2.457 -4.067) 4.753 19.289 ( 0.569 -4.399 2.279) 4.987 20.151 ( 1.139 10.708 5.440) 12.065 ======================= Grid point 407 (227/294) ======================= q-point: ( 0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 11.600 -5.402 -2.564) 13.051 2.085 ( 14.528 -0.564 -3.195) 14.886 2.441 ( 3.659 -2.970 2.736) 5.450 2.865 ( 0.297 -2.399 1.261) 2.727 3.077 ( 2.409 -2.956 1.366) 4.050 3.273 ( -5.497 3.333 4.232) 7.696 5.139 ( -0.952 0.878 3.269) 3.516 5.338 ( 2.196 1.144 -2.826) 3.757 5.747 ( -0.448 -5.555 -1.586) 5.795 7.101 ( -7.647 1.365 -8.522) 11.531 7.213 ( -5.531 3.122 -12.355) 13.892 7.436 ( 4.498 -0.704 -10.301) 11.262 7.754 ( -1.993 0.441 0.283) 2.061 7.975 ( 6.694 5.830 -5.820) 10.614 8.381 ( 0.719 4.299 -5.301) 6.863 9.587 ( -9.798 -16.137 15.366) 24.342 9.962 ( 10.579 10.215 12.878) 19.548 10.936 ( -7.853 -1.201 -4.372) 9.068 16.886 ( 2.878 -0.711 -6.410) 7.063 17.245 ( 2.064 -2.655 11.165) 11.660 18.962 ( -1.218 -0.586 -0.575) 1.469 19.021 ( 0.868 -1.915 4.091) 4.599 19.248 ( 3.968 3.810 4.496) 7.105 20.184 ( -6.303 1.326 -10.501) 12.319 ======================= Grid point 408 (228/294) ======================= q-point: ( 0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 12.050 0.208 0.147) 12.053 2.227 ( 3.811 -2.659 1.635) 4.926 2.492 ( 5.514 0.610 -5.959) 8.141 2.819 ( -5.333 1.268 2.314) 5.950 3.078 ( 0.238 -3.162 1.768) 3.630 3.280 ( 1.511 -1.510 4.351) 4.847 5.137 ( -1.219 1.031 -0.046) 1.597 5.396 ( 3.115 3.244 -0.460) 4.521 5.649 ( -2.120 -8.818 -0.304) 9.074 6.925 ( -9.043 4.002 -7.537) 12.434 7.095 ( -5.005 2.925 -8.336) 10.154 7.466 ( 2.940 4.160 -7.455) 9.030 7.774 ( 3.048 -0.283 1.203) 3.289 8.088 ( 4.526 3.107 -4.364) 7.013 8.367 ( -1.275 0.932 -6.124) 6.324 9.403 ( -6.063 -12.211 13.115) 18.917 10.291 ( 10.385 9.481 8.278) 16.318 10.751 ( -8.098 -4.773 -3.021) 9.874 16.897 ( 2.235 0.646 -4.204) 4.805 17.310 ( 1.667 -2.355 8.463) 8.941 18.934 ( -1.035 -0.368 -0.854) 1.391 19.073 ( 3.743 -1.370 5.696) 6.952 19.358 ( 3.786 1.818 1.739) 4.546 20.012 ( -8.764 1.126 -9.189) 12.748 ======================= Grid point 409 (229/294) ======================= q-point: ( 0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 3.874 1.154 3.767) 5.525 2.217 ( 2.445 -1.312 -0.388) 2.802 2.486 ( -3.862 0.008 -6.665) 7.703 2.827 ( 2.536 3.455 3.646) 5.627 3.055 ( -0.868 -2.124 1.224) 2.601 3.319 ( 3.760 -4.481 1.541) 6.049 5.133 ( -0.768 2.175 -0.058) 2.307 5.460 ( 2.622 -0.691 -3.933) 4.777 5.536 ( -2.404 -5.429 2.852) 6.587 6.818 ( -6.196 5.820 -1.665) 8.662 7.014 ( -4.112 5.035 -4.689) 8.016 7.501 ( 0.706 4.702 -5.336) 7.147 7.837 ( 3.270 -1.007 2.536) 4.258 8.100 ( -1.885 0.154 -3.535) 4.009 8.263 ( -6.436 -6.386 0.518) 9.082 9.364 ( 4.601 -3.149 2.688) 6.190 10.561 ( -4.392 -1.724 4.424) 6.468 10.575 ( 7.013 3.397 -0.920) 7.846 16.909 ( 0.067 0.279 -0.282) 0.403 17.367 ( 3.305 -0.615 2.195) 4.015 18.913 ( -0.810 0.102 -0.549) 0.984 19.176 ( 5.848 -3.235 7.881) 10.334 19.425 ( 3.911 -0.312 -2.296) 4.546 19.817 ( -11.355 3.184 -6.238) 13.341 ======================= Grid point 410 (230/294) ======================= q-point: (-0.50 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -6.343 -6.160 2.499) 9.188 2.294 ( -5.599 -5.139 -2.667) 8.054 2.408 ( 4.012 9.196 1.486) 10.143 2.944 ( 4.374 0.727 2.292) 4.991 3.039 ( 0.345 1.514 -0.849) 1.770 3.322 ( 3.060 -6.670 -2.142) 7.645 5.156 ( -0.139 3.239 1.147) 3.439 5.387 ( -0.815 -8.859 0.571) 8.915 5.542 ( 0.855 3.158 -2.526) 4.133 6.805 ( -4.976 7.978 4.763) 10.540 7.018 ( 0.386 6.684 -1.186) 6.799 7.501 ( -2.263 2.425 -2.507) 4.158 7.863 ( -1.980 -2.715 5.844) 6.741 7.950 ( -12.966 -5.544 0.842) 14.127 8.143 ( 0.855 -4.538 1.093) 4.745 9.494 ( 11.980 2.463 -7.665) 14.434 10.414 ( -4.825 -8.192 4.034) 10.327 10.789 ( 6.985 8.337 -1.465) 10.974 16.893 ( -2.591 -1.409 3.620) 4.669 17.436 ( 5.733 1.415 -5.451) 8.036 18.905 ( -0.450 0.628 0.329) 0.840 19.264 ( 4.775 -7.185 5.651) 10.313 19.444 ( 2.972 -4.480 -6.485) 8.423 19.670 ( -9.964 10.117 2.032) 14.345 ======================= Grid point 411 (231/294) ======================= q-point: (-0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -3.358 -9.493 2.335) 10.337 2.073 ( -10.610 -8.564 1.175) 13.686 2.583 ( 4.029 7.729 -0.506) 8.731 2.966 ( -1.744 0.335 2.103) 2.752 3.107 ( 4.359 2.415 -2.356) 5.512 3.273 ( 2.703 -7.382 -5.423) 9.550 5.190 ( 0.203 1.973 0.634) 2.082 5.316 ( -1.624 -4.541 3.102) 5.734 5.576 ( 3.185 1.713 -2.557) 4.429 6.855 ( -4.921 10.934 8.970) 14.974 7.122 ( 3.737 5.005 1.482) 6.420 7.439 ( -4.793 -1.740 2.257) 5.577 7.657 ( -16.065 -8.006 12.015) 21.600 7.844 ( -2.213 0.853 0.693) 2.470 8.176 ( 5.432 -1.331 -2.172) 6.000 9.660 ( 12.676 2.348 -12.775) 18.149 10.297 ( -4.338 -7.875 5.511) 10.546 10.935 ( 3.718 8.117 -4.304) 9.911 16.849 ( -3.612 -2.741 5.449) 7.089 17.497 ( 5.865 1.322 -11.275) 12.778 18.915 ( -0.086 1.163 1.379) 1.806 19.257 ( 2.929 -8.782 -2.260) 9.529 19.343 ( -5.194 -1.592 -4.738) 7.208 19.743 ( 0.334 9.224 10.205) 13.760 ======================= Grid point 412 (232/294) ======================= q-point: (-0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 0.709 -12.065 2.367) 12.315 1.828 ( -7.694 -13.578 3.971) 16.104 2.634 ( -1.086 1.093 -4.858) 5.097 2.947 ( -2.128 -0.106 0.335) 2.157 3.126 ( 0.326 -4.224 -2.123) 4.739 3.271 ( 5.107 2.561 -5.197) 7.724 5.208 ( 1.287 0.021 -0.798) 1.514 5.273 ( -3.045 -0.217 1.905) 3.598 5.656 ( 5.306 0.093 1.685) 5.568 6.961 ( -3.441 12.762 11.043) 17.224 7.140 ( -4.388 -3.214 3.476) 6.455 7.377 ( -7.218 -6.760 11.629) 15.265 7.533 ( 0.271 4.846 8.761) 10.016 7.837 ( -1.078 2.634 -0.163) 2.851 8.242 ( 5.184 -0.623 -2.137) 5.642 9.784 ( 11.559 0.007 -14.117) 18.246 10.173 ( -6.780 -5.690 2.338) 9.155 11.012 ( 0.117 7.296 -4.002) 8.322 16.802 ( -2.718 -3.247 5.757) 7.147 17.492 ( 2.762 -1.376 -14.161) 14.493 18.938 ( 0.036 1.483 1.966) 2.463 19.204 ( 2.891 -6.358 -4.953) 8.562 19.226 ( -5.369 0.531 -3.540) 6.453 19.918 ( 2.560 6.899 12.927) 14.874 ======================= Grid point 413 (233/294) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -4.435 -14.353 1.997) 15.154 1.731 ( 7.400 -17.243 6.143) 19.744 2.527 ( -3.748 -5.439 -8.432) 10.711 2.891 ( -1.791 -3.065 -2.042) 4.095 3.065 ( -0.146 -5.448 -2.000) 5.805 3.371 ( 2.262 8.757 -2.449) 9.370 5.212 ( -0.609 1.883 -4.176) 4.621 5.258 ( 1.065 -1.075 2.822) 3.203 5.728 ( 1.444 -1.493 2.839) 3.518 7.059 ( 0.687 0.232 5.954) 5.998 7.136 ( -2.250 6.273 11.982) 13.710 7.274 ( -6.262 -1.673 13.190) 14.696 7.725 ( 6.292 6.751 8.096) 12.277 7.846 ( -0.519 2.249 -0.480) 2.357 8.304 ( 4.173 -0.231 -0.691) 4.236 9.878 ( 11.874 -1.849 -13.136) 17.804 9.978 ( -11.867 -2.465 -5.393) 13.265 11.031 ( -3.576 5.773 -0.089) 6.791 16.777 ( -0.680 -3.242 5.675) 6.571 17.388 ( -1.078 -4.709 -13.850) 14.668 18.965 ( 0.085 1.554 1.644) 2.264 19.113 ( -4.302 -1.161 -4.424) 6.279 19.202 ( 3.888 -2.110 -3.699) 5.767 20.100 ( 2.251 6.812 12.197) 14.150 ======================= Grid point 414 (234/294) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 2.306 -15.908 1.380) 16.134 1.762 ( 11.321 -17.446 6.724) 21.857 2.334 ( -3.040 -11.075 -9.353) 14.811 2.827 ( -0.522 -2.637 -2.849) 3.917 2.998 ( -0.646 -5.253 -1.017) 5.389 3.455 ( -1.431 9.664 -1.353) 9.863 5.196 ( 0.343 1.586 -4.773) 5.041 5.297 ( 2.815 -1.755 1.895) 3.820 5.702 ( -3.997 -0.776 1.487) 4.335 7.111 ( -1.512 -1.912 4.481) 5.101 7.223 ( 9.414 -2.244 10.364) 14.181 7.378 ( -1.675 11.911 14.088) 18.524 7.830 ( -3.152 4.367 -0.049) 5.386 7.925 ( 5.643 1.648 4.698) 7.525 8.377 ( 3.960 0.754 3.689) 5.464 9.667 ( -16.716 -0.849 -14.189) 21.942 9.992 ( 13.025 -1.615 -10.933) 17.082 11.011 ( -6.831 4.870 5.578) 10.074 16.791 ( 1.660 -3.053 5.780) 6.745 17.224 ( -2.377 -6.503 -11.272) 13.229 18.982 ( -1.581 1.448 -0.426) 2.185 19.018 ( -1.788 -0.876 -3.243) 3.806 19.229 ( 3.200 -2.478 -1.202) 4.222 20.261 ( 1.219 7.910 8.009) 11.323 ======================= Grid point 480 (235/294) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -0.000 0.000 19.494) 19.494 1.231 ( -0.000 0.000 19.494) 19.494 1.938 ( -0.000 0.000 29.962) 29.962 2.801 ( -0.000 0.000 1.337) 1.337 2.801 ( -0.000 0.000 1.337) 1.337 3.835 ( 0.000 -0.000 -3.622) 3.622 5.175 ( -0.000 0.000 5.707) 5.707 5.175 ( -0.000 0.000 5.707) 5.707 5.931 ( -0.000 0.000 2.237) 2.237 7.344 ( -0.000 0.000 6.208) 6.208 7.344 ( -0.000 0.000 6.208) 6.208 7.925 ( 0.000 -0.000 -8.414) 8.414 8.002 ( 0.000 -0.000 -5.720) 5.720 8.002 ( 0.000 -0.000 -5.720) 5.720 8.552 ( -0.000 0.000 1.219) 1.219 9.369 ( 0.000 -0.000 -6.563) 6.563 9.369 ( 0.000 -0.000 -6.563) 6.563 11.524 ( -0.000 0.000 0.554) 0.554 16.812 ( -0.000 0.000 4.280) 4.280 16.812 ( -0.000 0.000 4.280) 4.280 18.963 ( 0.000 -0.000 -2.384) 2.384 18.963 ( 0.000 0.000 -2.384) 2.384 19.031 ( -0.000 0.000 0.352) 0.352 20.766 ( 0.000 -0.000 -0.557) 0.557 ======================= Grid point 481 (236/294) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -2.106 -3.177 20.492) 20.843 1.510 ( 7.431 6.659 16.272) 19.087 2.150 ( 2.870 2.201 25.127) 25.386 2.789 ( -0.102 -1.443 1.149) 1.848 2.850 ( 2.113 2.293 1.468) 3.446 3.786 ( -2.349 -1.516 -3.852) 4.759 5.169 ( -1.261 -1.742 5.772) 6.160 5.290 ( 4.653 3.496 4.948) 7.639 5.929 ( -1.281 -0.868 2.140) 2.641 7.190 ( -12.205 -4.100 4.882) 13.770 7.480 ( 5.014 -0.565 6.224) 8.012 7.774 ( -6.677 -4.246 -7.503) 10.904 8.000 ( 1.704 4.992 -5.259) 7.449 8.020 ( 3.855 -1.981 -6.052) 7.444 8.475 ( -6.310 0.387 0.143) 6.323 9.162 ( -2.435 -10.010 -6.289) 12.070 9.678 ( 16.976 14.417 -5.246) 22.882 11.427 ( -9.334 -4.328 0.776) 10.318 16.807 ( 0.443 -0.569 4.451) 4.509 16.913 ( 2.980 3.268 3.673) 5.749 18.910 ( -1.583 -0.209 -2.068) 2.613 19.017 ( 0.639 0.850 -0.577) 1.210 19.052 ( 4.924 1.756 -1.559) 5.455 20.689 ( -5.823 -4.134 -0.533) 7.161 ======================= Grid point 482 (237/294) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 4.387 0.680 19.328) 19.831 1.776 ( 6.742 6.422 11.833) 15.057 2.360 ( 2.804 4.285 17.883) 18.602 2.779 ( -0.048 -2.555 1.280) 2.858 2.928 ( 2.913 3.146 2.013) 4.737 3.686 ( -4.256 -3.059 -3.796) 6.471 5.166 ( -0.987 -2.558 5.534) 6.175 5.430 ( 4.656 4.143 2.526) 6.725 5.901 ( -2.040 -1.557 1.484) 2.965 6.986 ( -9.865 -3.260 1.686) 10.525 7.551 ( -1.905 1.969 1.356) 3.057 7.588 ( -4.170 -4.922 -4.686) 7.973 8.018 ( 4.487 -4.479 -7.118) 9.532 8.045 ( 1.763 2.721 -2.012) 3.816 8.402 ( -3.111 2.045 -3.291) 4.969 9.044 ( 1.639 -7.205 -1.329) 7.508 10.040 ( 14.094 11.790 -1.534) 18.440 11.177 ( -14.943 -5.708 -0.339) 16.000 16.863 ( 2.827 0.327 5.373) 6.080 17.003 ( 1.720 4.026 1.496) 4.626 18.887 ( -0.404 0.789 -0.748) 1.159 19.007 ( -0.736 -0.441 -0.752) 1.141 19.168 ( 5.904 2.785 -0.222) 6.532 20.520 ( -7.345 -6.251 -2.103) 9.872 ======================= Grid point 483 (238/294) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 8.937 4.338 15.277) 18.223 1.978 ( 4.851 3.729 6.901) 9.223 2.538 ( 2.262 6.258 10.882) 12.756 2.743 ( -1.842 -3.756 0.878) 4.275 3.022 ( 3.141 2.999 2.427) 4.975 3.553 ( -5.352 -4.115 -2.562) 7.220 5.154 ( -0.999 -3.428 5.118) 6.240 5.525 ( 1.255 3.594 -0.917) 3.916 5.855 ( -1.810 -2.332 0.027) 2.952 6.853 ( -3.522 -0.833 -2.755) 4.548 7.426 ( -7.474 2.407 -3.319) 8.524 7.550 ( -1.724 -1.010 -1.632) 2.580 7.991 ( 5.576 -8.507 -8.891) 13.509 8.071 ( -1.157 2.736 -0.303) 2.986 8.346 ( 1.058 -4.035 -8.219) 9.217 9.092 ( 5.281 1.445 8.095) 9.773 10.319 ( 7.753 6.013 5.956) 11.478 10.863 ( -14.895 -3.760 -5.197) 16.217 16.966 ( 4.319 0.914 7.036) 8.306 17.052 ( -0.162 3.491 -1.604) 3.845 18.904 ( 0.776 1.628 1.159) 2.144 18.984 ( -0.420 -0.621 -1.416) 1.603 19.273 ( 2.898 1.632 3.663) 4.947 20.327 ( -5.781 -6.033 -6.101) 10.346 ======================= Grid point 484 (239/294) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 7.651 5.477 9.423) 13.316 2.094 ( 4.024 1.319 3.887) 5.748 2.622 ( -2.058 -5.401 -3.254) 6.633 2.707 ( -0.684 6.626 6.945) 9.623 3.106 ( 2.436 1.821 2.302) 3.814 3.414 ( -5.860 -4.336 0.470) 7.305 5.136 ( -0.771 -3.398 4.635) 5.799 5.514 ( -4.031 2.418 -3.944) 6.136 5.813 ( 0.668 -3.010 -1.570) 3.460 6.819 ( 2.223 1.826 -7.571) 8.099 7.344 ( -6.359 6.457 -1.810) 9.242 7.489 ( -1.658 -1.199 -3.340) 3.917 7.930 ( 6.153 -12.185 -10.129) 16.998 8.034 ( -6.107 2.353 -3.152) 7.264 8.277 ( 3.256 -5.374 -7.631) 9.885 9.312 ( 7.938 5.487 14.123) 17.105 10.391 ( -11.877 -5.837 17.050) 21.583 10.675 ( 2.453 6.273 -13.576) 15.155 17.042 ( -2.044 2.198 -4.540) 5.443 17.100 ( 4.702 0.947 9.214) 10.387 18.941 ( 0.267 1.223 0.397) 1.313 18.981 ( 1.457 0.579 0.717) 1.724 19.325 ( -1.616 -0.987 8.078) 8.297 20.163 ( -1.860 -3.465 -11.364) 12.025 ======================= Grid point 485 (240/294) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -3.871 -0.157 0.372) 3.892 2.236 ( 3.497 0.659 5.350) 6.425 2.470 ( -2.263 -5.502 -5.054) 7.806 2.818 ( 1.769 6.929 2.206) 7.484 3.154 ( 0.605 0.028 1.980) 2.071 3.293 ( -5.666 -4.119 4.374) 8.258 5.130 ( -0.162 -1.740 4.150) 4.503 5.418 ( -5.221 0.750 -5.077) 7.321 5.795 ( 1.669 -3.032 -2.546) 4.297 6.858 ( 6.133 4.281 -11.312) 13.561 7.280 ( -7.124 6.095 -4.556) 10.423 7.472 ( 1.816 1.792 -2.953) 3.903 7.822 ( 2.192 -13.588 -12.389) 18.518 7.902 ( -5.004 -0.203 -4.852) 6.973 8.271 ( 3.525 -2.326 -2.645) 4.983 9.580 ( 7.793 3.466 15.191) 17.421 10.180 ( -14.749 -3.069 10.134) 18.156 10.778 ( 6.571 5.234 -3.886) 9.256 16.977 ( -3.202 0.576 -6.393) 7.173 17.239 ( 3.319 0.640 11.570) 12.054 18.943 ( 0.421 0.463 -1.737) 1.847 19.041 ( 1.514 2.151 3.711) 4.549 19.301 ( -4.683 -4.150 9.645) 11.497 20.074 ( 2.551 0.125 -14.439) 14.664 ======================= Grid point 486 (241/294) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -9.871 -2.563 -2.161) 10.425 2.077 ( -9.714 -12.385 -6.121) 16.889 2.510 ( 1.115 3.383 5.200) 6.303 2.903 ( 0.693 3.795 -0.514) 3.892 3.141 ( -3.309 -1.097 1.605) 3.838 3.245 ( 1.394 -2.184 6.347) 6.855 5.154 ( 0.733 0.917 3.779) 3.957 5.320 ( -2.847 -1.036 -4.307) 5.266 5.770 ( 0.575 -2.748 -2.877) 4.020 6.960 ( 9.151 6.605 -12.686) 16.980 7.182 ( -4.816 2.296 -7.008) 8.808 7.461 ( -6.618 3.572 -9.929) 12.456 7.673 ( 5.099 -6.416 -8.755) 11.992 7.838 ( 0.858 -3.152 -1.933) 3.796 8.293 ( 2.753 -2.429 -0.298) 3.684 9.786 ( 6.406 -4.132 14.077) 16.009 10.025 ( -11.687 4.585 7.836) 14.799 10.910 ( 5.473 4.567 -0.255) 7.133 16.880 ( -3.571 -0.584 -6.754) 7.662 17.348 ( 0.031 -0.229 13.438) 13.440 18.949 ( 1.001 0.684 -1.825) 2.191 19.096 ( -1.008 3.014 4.172) 5.245 19.237 ( -2.939 -5.762 7.217) 9.691 20.063 ( 5.241 1.941 -13.924) 15.004 ======================= Grid point 493 (242/294) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -1.645 -2.530 18.197) 18.446 1.585 ( 1.953 6.379 17.255) 18.500 2.300 ( 0.638 2.464 21.756) 21.905 2.809 ( -1.833 0.931 1.389) 2.481 2.852 ( 1.453 2.635 0.964) 3.160 3.763 ( -0.151 -2.587 -4.075) 4.829 5.226 ( -1.248 0.071 5.700) 5.835 5.299 ( 1.075 3.166 4.985) 6.003 5.937 ( -0.065 -2.459 2.105) 3.238 7.278 ( 4.494 -8.254 5.224) 10.752 7.448 ( -4.489 -3.008 6.092) 8.144 7.784 ( -2.350 -2.732 -8.041) 8.812 7.834 ( 1.995 -7.684 -5.476) 9.644 8.039 ( -0.520 5.932 -5.281) 7.959 8.386 ( 2.078 -15.478 -0.149) 15.617 9.340 ( -13.066 12.063 -4.245) 18.283 9.525 ( 11.173 14.619 -7.084) 19.717 11.445 ( 0.659 -8.189 0.926) 8.268 16.800 ( -0.281 -3.194 4.390) 5.436 16.974 ( 0.805 8.213 3.442) 8.941 18.936 ( 1.281 2.414 -1.980) 3.375 18.990 ( -0.525 3.107 -2.169) 3.826 19.031 ( -0.718 -0.051 -0.338) 0.795 20.678 ( -0.526 -8.400 -0.192) 8.418 ======================= Grid point 494 (243/294) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.864 0.437 18.835) 18.859 1.809 ( 5.028 6.120 13.389) 15.556 2.460 ( 2.364 2.032 14.499) 14.831 2.796 ( -2.033 1.549 1.887) 3.177 2.923 ( 2.537 3.325 1.316) 4.384 3.685 ( -2.499 -3.858 -4.077) 6.144 5.219 ( -2.800 -0.644 5.606) 6.299 5.408 ( 4.187 3.296 2.886) 6.060 5.911 ( -0.917 -3.730 1.821) 4.251 7.149 ( -11.838 -5.883 3.807) 13.756 7.473 ( 5.680 -6.034 4.301) 9.336 7.618 ( -3.903 -4.686 -7.309) 9.519 7.803 ( 5.422 -9.789 -5.904) 12.652 8.059 ( 0.157 4.998 -3.860) 6.317 8.290 ( 3.430 -13.548 -1.289) 14.035 9.192 ( -12.678 12.956 -0.941) 18.152 9.894 ( 16.283 14.791 -5.028) 22.565 11.306 ( -8.185 -8.424 0.035) 11.746 16.820 ( 2.771 -2.890 4.767) 6.225 17.084 ( -0.208 10.002 1.402) 10.102 18.932 ( -2.447 3.987 -0.679) 4.727 19.008 ( -0.911 -0.781 -0.836) 1.463 19.081 ( 6.878 3.602 -1.939) 8.003 20.533 ( -5.088 -11.474 -0.047) 12.552 ======================= Grid point 495 (244/294) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 5.333 3.263 17.104) 18.210 1.997 ( 3.168 4.888 8.365) 10.193 2.575 ( 2.988 -0.730 4.862) 5.753 2.799 ( -2.840 3.945 4.270) 6.470 3.004 ( 3.057 2.303 1.096) 3.981 3.571 ( -3.758 -4.247 -2.828) 6.337 5.195 ( -2.862 -1.648 5.285) 6.232 5.506 ( 3.509 2.114 -0.546) 4.133 5.858 ( -2.061 -4.385 0.808) 4.912 6.933 ( -9.533 -3.928 0.834) 10.344 7.445 ( -1.577 -4.977 -4.403) 6.830 7.538 ( 3.376 -6.536 -4.769) 8.767 7.763 ( 3.272 -7.461 -2.901) 8.648 8.090 ( 1.048 2.877 -0.958) 3.209 8.222 ( 2.206 -9.082 -2.270) 9.618 9.183 ( -3.793 11.551 3.869) 12.758 10.230 ( 12.943 10.283 -1.673) 16.615 11.044 ( -13.934 -6.719 -1.669) 15.559 16.889 ( 5.186 -3.014 4.928) 7.763 17.159 ( -2.544 10.149 -0.689) 10.485 18.947 ( -0.925 4.849 1.330) 5.113 18.976 ( -0.958 -1.156 -1.244) 1.950 19.224 ( 6.897 3.414 -0.152) 7.697 20.318 ( -6.516 -12.110 -1.934) 13.887 ======================= Grid point 496 (245/294) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 7.779 5.210 12.246) 15.415 2.103 ( 0.766 3.215 4.476) 5.564 2.569 ( -0.571 -5.867 -3.924) 7.082 2.839 ( -2.508 6.847 5.501) 9.134 3.073 ( 3.448 -0.097 0.516) 3.488 3.463 ( -4.098 -3.257 0.272) 5.242 5.163 ( -2.339 -2.176 4.605) 5.605 5.546 ( 0.728 1.278 -3.334) 3.644 5.769 ( -2.669 -5.683 -1.055) 6.366 6.798 ( -3.322 -0.832 -3.274) 4.738 7.367 ( 1.948 -4.709 -6.572) 8.316 7.478 ( 1.667 -7.154 -5.279) 9.046 7.725 ( -1.469 -2.054 -0.798) 2.648 8.123 ( -2.641 1.706 0.358) 3.164 8.159 ( 2.290 -3.457 -4.669) 6.245 9.317 ( 4.854 5.469 8.903) 11.521 10.483 ( 8.666 4.515 4.210) 10.640 10.738 ( -14.801 -2.155 -5.297) 15.867 16.974 ( 4.871 -2.834 2.167) 6.038 17.194 ( -2.865 8.166 1.091) 8.722 18.945 ( -0.417 -0.984 -1.635) 1.953 19.006 ( 0.028 5.970 3.365) 6.854 19.349 ( 3.751 1.419 3.773) 5.506 20.091 ( -4.593 -10.291 -6.800) 13.162 ======================= Grid point 497 (246/294) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -1.972 3.501 0.461) 4.045 2.209 ( 5.821 2.270 7.856) 10.037 2.425 ( -3.418 -6.374 -7.134) 10.159 2.892 ( -1.593 5.814 2.539) 6.541 3.119 ( 3.205 -2.363 0.679) 4.039 3.377 ( -4.953 -2.599 3.573) 6.637 5.145 ( -0.695 -1.386 3.589) 3.910 5.497 ( -5.730 1.509 -4.402) 7.381 5.686 ( 2.235 -7.375 -2.432) 8.081 6.765 ( 2.042 2.596 -7.256) 7.972 7.315 ( 3.734 -7.458 -9.673) 12.772 7.436 ( 0.927 0.037 -1.886) 2.102 7.668 ( -3.906 0.450 -0.675) 3.989 8.004 ( -8.243 1.640 -7.311) 11.140 8.194 ( 3.133 -0.748 0.115) 3.223 9.517 ( 8.947 -2.562 12.256) 15.389 10.460 ( -14.421 0.473 2.713) 14.681 10.684 ( 8.084 3.941 -1.144) 9.066 16.983 ( -1.048 -0.165 -4.891) 5.004 17.269 ( 2.105 2.753 8.838) 9.494 18.927 ( 0.286 -0.282 -1.860) 1.903 19.091 ( -0.023 6.457 4.584) 7.918 19.394 ( -2.830 -2.848 8.645) 9.532 19.924 ( 1.613 -5.343 -13.491) 14.600 ======================= Grid point 498 (247/294) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -7.876 -0.606 -2.705) 8.350 2.114 ( -10.742 -6.745 -5.638) 13.880 2.501 ( 8.259 4.224 4.213) 10.188 2.927 ( -0.308 4.097 -0.519) 4.141 3.142 ( 2.025 -2.943 1.518) 3.881 3.292 ( -5.106 -3.767 5.950) 8.699 5.164 ( 1.307 0.477 2.586) 2.936 5.368 ( -6.594 0.101 -4.234) 7.837 5.664 ( 4.007 -6.245 -2.489) 7.826 6.822 ( 6.347 6.263 -10.078) 13.457 7.231 ( -1.257 -3.591 -6.357) 7.409 7.464 ( 4.257 -0.546 -5.800) 7.216 7.587 ( -8.433 6.114 -5.771) 11.908 7.851 ( -5.052 1.020 -4.834) 7.066 8.230 ( 2.595 -2.742 1.310) 3.996 9.681 ( 8.004 -9.034 13.656) 18.226 10.291 ( -10.882 5.493 -0.724) 12.212 10.847 ( 7.429 2.262 3.761) 8.629 16.903 ( -3.994 0.717 -6.809) 7.927 17.395 ( 3.282 -0.903 12.872) 13.314 18.926 ( 0.931 0.374 -1.953) 2.195 19.173 ( -0.918 6.021 4.761) 7.730 19.315 ( -6.712 -5.988 7.828) 11.924 19.884 ( 6.645 -0.577 -14.871) 16.298 ======================= Grid point 505 (248/294) ======================= q-point: ( 0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -1.253 1.650 17.718) 17.838 1.761 ( -4.324 3.931 14.783) 15.896 2.420 ( -0.663 0.258 13.742) 13.761 2.849 ( 2.349 3.470 1.766) 4.547 2.890 ( -3.553 1.800 2.360) 4.630 3.694 ( 2.133 -3.199 -4.131) 5.644 5.256 ( 2.286 1.781 5.490) 6.208 5.379 ( -3.946 1.535 2.817) 5.085 5.912 ( 0.779 -3.700 1.407) 4.035 7.082 ( 10.197 -8.254 4.576) 13.894 7.467 ( -0.341 -10.363 -2.517) 10.670 7.650 ( 4.198 -1.690 -3.256) 5.575 7.876 ( -10.593 -3.973 -2.870) 11.671 8.070 ( -0.124 5.944 -5.287) 7.956 8.245 ( -2.897 -13.997 0.993) 14.328 9.342 ( 15.473 17.773 -4.543) 23.998 9.777 ( -19.923 9.805 -4.717) 22.700 11.277 ( 9.488 -10.571 1.716) 14.308 16.826 ( -3.138 -3.115 4.551) 6.345 17.056 ( 1.388 8.760 2.364) 9.179 18.907 ( 2.299 2.768 -0.906) 3.711 19.004 ( 0.161 -1.068 -0.413) 1.156 19.108 ( -5.760 4.741 -1.847) 7.685 20.557 ( 4.097 -9.724 -1.041) 10.603 ======================= Grid point 506 (249/294) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -1.357 1.758 15.846) 16.001 1.897 ( 2.205 5.140 15.872) 16.829 2.489 ( 1.618 -1.021 6.346) 6.628 2.876 ( -2.154 2.625 1.874) 3.879 2.935 ( 1.402 4.563 3.054) 5.667 3.646 ( -0.500 -4.198 -4.134) 5.913 5.296 ( -2.551 0.176 4.600) 5.262 5.399 ( 2.006 2.281 2.291) 3.805 5.883 ( 0.192 -5.584 1.510) 5.788 7.186 ( 4.950 -7.649 4.915) 10.353 7.340 ( 2.373 -12.521 -2.710) 13.029 7.605 ( -12.185 -7.932 -2.613) 14.773 7.652 ( 2.682 -5.089 -1.479) 5.939 8.088 ( -0.608 5.549 -4.267) 7.026 8.124 ( 1.805 -11.328 0.832) 11.501 9.561 ( -16.807 13.324 -2.718) 21.620 9.741 ( 16.308 16.466 -4.932) 23.694 11.274 ( 1.156 -10.255 0.093) 10.320 16.800 ( -0.094 -2.769 4.756) 5.504 17.184 ( 1.141 11.082 0.342) 11.146 18.973 ( 0.763 0.208 -0.397) 0.885 19.011 ( 3.835 2.997 -1.181) 5.009 19.058 ( -4.483 5.334 -1.517) 7.131 20.465 ( -1.093 -13.945 0.106) 13.988 ======================= Grid point 507 (250/294) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 2.546 2.941 15.147) 15.638 2.068 ( 1.791 4.861 11.870) 12.951 2.522 ( 2.202 -3.069 -0.154) 3.780 2.892 ( -0.445 3.061 1.264) 3.341 3.009 ( 0.252 4.051 2.640) 4.842 3.561 ( -1.997 -4.049 -2.830) 5.329 5.269 ( -3.502 -0.819 4.497) 5.758 5.458 ( 2.696 -0.159 -0.707) 2.792 5.841 ( -0.289 -5.236 1.438) 5.438 7.069 ( -9.531 -6.827 2.821) 12.058 7.273 ( 3.057 -15.784 -9.602) 18.726 7.409 ( -0.716 -4.413 0.531) 4.502 7.677 ( 5.564 -3.954 4.840) 8.367 8.078 ( 2.851 -6.320 -1.044) 7.011 8.111 ( 0.394 1.908 -0.309) 1.972 9.446 ( -11.698 13.451 -1.065) 17.858 10.098 ( 13.931 12.157 -3.038) 18.738 11.130 ( -6.618 -8.666 -2.233) 11.130 16.827 ( 2.718 -2.683 4.842) 6.167 17.285 ( -1.247 11.422 -2.384) 11.735 18.957 ( -0.256 -2.053 -0.392) 2.106 19.047 ( -2.098 6.621 -0.633) 6.974 19.143 ( 6.137 5.027 -0.140) 7.935 20.277 ( -4.683 -15.628 0.239) 16.316 ======================= Grid point 508 (251/294) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 5.809 3.590 12.504) 14.247 2.176 ( -0.838 4.558 6.145) 7.696 2.490 ( 0.267 -5.532 -4.395) 7.070 2.931 ( 1.562 2.071 0.243) 2.605 3.044 ( -1.052 2.265 1.327) 2.828 3.487 ( -2.104 -2.429 -0.127) 3.216 5.223 ( -3.818 -1.731 4.006) 5.798 5.476 ( 3.341 -3.150 -2.862) 5.410 5.780 ( -3.273 -3.625 0.044) 4.884 6.872 ( -8.920 -3.213 0.646) 9.504 7.124 ( 5.346 -14.406 -10.306) 18.502 7.387 ( 1.263 -3.312 0.395) 3.567 7.780 ( 2.131 1.630 5.883) 6.466 8.064 ( 2.668 -4.730 -1.912) 5.758 8.146 ( 1.417 0.687 2.915) 3.313 9.413 ( -5.275 8.757 0.876) 10.260 10.377 ( 10.926 7.049 -0.847) 13.030 10.896 ( -10.876 -5.404 -3.721) 12.702 16.889 ( 4.368 -2.656 3.900) 6.430 17.325 ( -3.459 9.502 -3.178) 10.600 18.929 ( -0.286 -1.760 -0.793) 1.952 19.106 ( -0.420 8.812 2.202) 9.093 19.289 ( 6.542 3.281 0.585) 7.342 20.037 ( -6.189 -15.157 -1.569) 16.447 ======================= Grid point 509 (252/294) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 4.005 4.985 4.852) 8.027 2.213 ( 0.132 2.029 3.911) 4.408 2.377 ( -3.159 -5.826 -5.639) 8.702 2.978 ( 1.170 2.028 0.630) 2.425 3.041 ( 0.162 -1.032 -0.651) 1.231 3.438 ( -2.817 -1.883 2.236) 4.060 5.172 ( -2.292 -1.882 2.189) 3.686 5.489 ( 3.939 -3.104 -1.992) 5.396 5.656 ( -7.086 -3.633 -1.725) 8.148 6.755 ( -2.787 0.700 -3.313) 4.385 7.055 ( 7.083 -10.205 -7.868) 14.704 7.401 ( 2.304 -0.886 1.022) 2.671 7.815 ( -5.014 5.208 3.719) 8.130 8.040 ( -0.071 -3.004 -3.097) 4.315 8.186 ( -0.430 1.955 1.527) 2.518 9.448 ( 2.548 -0.476 5.098) 5.719 10.576 ( 7.486 4.529 -3.522) 9.432 10.665 ( -9.741 -2.574 0.751) 10.103 16.945 ( 2.581 -1.518 -0.082) 2.995 17.336 ( -1.831 5.096 1.083) 5.522 18.910 ( 0.087 -0.800 -0.966) 1.257 19.210 ( -0.823 10.317 4.363) 11.231 19.410 ( 4.309 0.283 3.277) 5.421 19.792 ( -4.140 -12.297 -6.701) 14.604 ======================= Grid point 510 (253/294) ======================= q-point: (-0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -7.668 -0.209 -5.097) 9.210 2.225 ( -8.349 0.481 -1.142) 8.440 2.386 ( 11.339 1.574 3.150) 11.873 2.987 ( -2.975 2.974 -0.519) 4.239 3.055 ( 5.030 -4.160 0.012) 6.527 3.372 ( -4.646 -3.576 3.961) 7.075 5.155 ( 0.864 -0.241 0.212) 0.921 5.470 ( -8.631 -0.512 -3.216) 9.225 5.532 ( 4.270 -5.181 0.842) 6.766 6.753 ( 2.675 5.217 -6.546) 8.788 7.060 ( 7.372 -5.667 -4.967) 10.542 7.442 ( 1.046 1.870 -0.334) 2.169 7.784 ( -7.731 7.109 2.167) 10.724 7.938 ( -7.468 1.725 -8.194) 11.220 8.187 ( -0.043 -1.420 0.674) 1.573 9.541 ( 7.686 -8.071 10.325) 15.193 10.466 ( -9.192 2.860 -7.112) 11.968 10.759 ( 8.295 -0.161 5.907) 10.184 16.927 ( -2.180 0.705 -4.982) 5.484 17.396 ( 2.996 -0.562 8.077) 8.633 18.906 ( 0.593 0.114 -1.129) 1.280 19.306 ( -2.627 9.001 4.962) 10.608 19.413 ( -6.327 -6.790 7.902) 12.190 19.666 ( 7.134 -2.422 -13.830) 15.749 ======================= Grid point 517 (254/294) ======================= q-point: ( 0.33 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -4.055 3.857 16.767) 17.676 1.949 ( -5.309 3.285 8.524) 10.566 2.506 ( -3.030 -1.711 7.504) 8.271 2.835 ( 4.151 2.571 0.847) 4.956 2.988 ( -3.652 1.658 3.769) 5.504 3.591 ( 3.829 -3.087 -3.335) 5.942 5.260 ( 3.536 2.220 5.075) 6.572 5.451 ( -3.268 -1.172 -0.954) 3.600 5.865 ( 0.954 -3.966 0.209) 4.085 6.895 ( 7.217 -4.744 2.026) 8.871 7.311 ( 0.238 -13.939 -4.412) 14.623 7.567 ( 2.753 -1.192 -3.821) 4.858 7.974 ( -5.402 -1.524 -2.391) 6.101 8.058 ( 1.934 2.256 -5.693) 6.422 8.262 ( -7.778 -5.079 0.720) 9.317 9.266 ( 9.604 14.052 0.568) 17.030 10.139 ( -17.020 7.436 -2.779) 18.780 10.988 ( 14.621 -10.538 2.264) 18.164 16.892 ( -5.027 -3.643 4.309) 7.557 17.120 ( 2.080 8.797 1.354) 9.141 18.914 ( 0.401 3.048 0.973) 3.224 18.984 ( 0.494 -0.669 -0.837) 1.180 19.239 ( -5.586 3.689 0.303) 6.701 20.365 ( 6.441 -9.162 -3.801) 11.827 ======================= Grid point 518 (255/294) ======================= q-point: ( 0.42 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -3.615 2.709 13.936) 14.649 2.011 ( 0.304 3.695 13.554) 14.052 2.488 ( -0.602 -1.781 0.953) 2.108 2.910 ( 0.796 2.429 0.013) 2.556 2.996 ( -0.334 2.983 4.433) 5.354 3.578 ( 1.183 -3.514 -3.480) 5.085 5.343 ( 0.211 -0.085 3.537) 3.544 5.406 ( 0.001 0.573 -0.250) 0.625 5.825 ( 0.427 -6.626 0.854) 6.694 7.017 ( 9.990 -5.301 5.727) 12.676 7.142 ( 0.705 -15.618 -5.595) 16.605 7.558 ( 1.749 -3.262 -4.260) 5.643 7.791 ( -14.056 -4.586 1.153) 14.830 8.033 ( -0.874 -8.213 1.877) 8.470 8.134 ( -2.697 3.355 -2.304) 4.882 9.591 ( 13.808 14.377 -6.316) 20.910 9.947 ( -15.153 11.367 0.480) 18.948 11.096 ( 8.528 -9.898 0.309) 13.069 16.828 ( -2.638 -2.725 4.920) 6.212 17.253 ( 2.569 10.721 -1.104) 11.080 18.952 ( 0.769 -0.751 -0.506) 1.188 19.001 ( 1.196 4.213 0.578) 4.418 19.186 ( -5.150 5.528 -0.702) 7.588 20.313 ( 2.751 -14.315 -1.595) 14.664 ======================= Grid point 519 (256/294) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -0.583 2.609 12.041) 12.335 2.153 ( 2.201 2.382 14.027) 14.397 2.461 ( 0.568 -2.011 -4.165) 4.660 2.909 ( -1.247 0.583 -1.593) 2.105 3.069 ( 1.017 4.238 3.006) 5.295 3.531 ( -0.585 -2.942 -2.376) 3.826 5.325 ( -1.307 -1.925 1.984) 3.058 5.420 ( -0.186 -1.326 -0.533) 1.441 5.788 ( 1.592 -5.684 1.922) 6.207 6.978 ( 2.039 -14.331 -5.356) 15.434 7.158 ( 3.890 -4.348 5.387) 7.941 7.464 ( -9.805 -5.253 -1.659) 11.246 7.578 ( 1.037 -6.793 6.962) 9.782 7.973 ( 1.447 -7.198 2.099) 7.636 8.145 ( -0.456 5.239 -3.061) 6.084 9.732 ( -7.770 11.765 -7.677) 16.054 10.005 ( 7.917 11.896 3.203) 14.644 11.073 ( 0.868 -8.702 -3.577) 9.449 16.813 ( -0.156 -2.474 5.266) 5.821 17.373 ( 1.098 11.413 -4.660) 12.377 18.936 ( -0.007 -2.211 -0.321) 2.234 19.064 ( 1.572 4.160 -2.628) 5.165 19.204 ( -1.342 8.622 3.224) 9.302 20.173 ( -1.094 -16.885 -0.022) 16.920 ======================= Grid point 520 (257/294) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 3.424 1.606 10.295) 10.968 2.270 ( -0.129 3.281 8.153) 8.789 2.413 ( 0.260 -3.891 -4.479) 5.939 2.880 ( 0.787 -1.533 -3.537) 3.935 3.121 ( -1.332 3.935 1.363) 4.372 3.488 ( -0.824 -1.646 -0.768) 1.995 5.294 ( -3.660 -1.810 3.577) 5.429 5.371 ( 1.727 -5.579 -2.966) 6.550 5.784 ( 0.204 -2.434 1.393) 2.812 6.874 ( 3.828 -11.145 -5.321) 12.930 7.026 ( -12.412 -5.181 2.883) 13.756 7.358 ( -0.398 -2.602 1.728) 3.149 7.705 ( 11.167 -3.934 10.791) 16.019 7.961 ( 2.914 -5.649 0.996) 6.434 8.167 ( -0.521 3.891 -0.627) 3.975 9.637 ( -10.966 10.336 -4.511) 15.731 10.267 ( 10.322 6.444 1.452) 12.255 10.936 ( -4.749 -5.839 -6.728) 10.095 16.838 ( 2.142 -2.530 4.904) 5.920 17.432 ( -1.924 9.979 -6.967) 12.322 18.914 ( -0.190 -1.755 -0.011) 1.765 19.128 ( 4.520 4.721 -3.665) 7.493 19.309 ( -0.085 8.753 5.284) 10.225 19.971 ( -4.139 -17.104 0.765) 17.614 ======================= Grid point 521 (258/294) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 6.882 0.384 7.707) 10.340 2.268 ( -4.681 3.659 -8.463) 10.340 2.373 ( -1.079 -3.448 6.929) 7.815 2.877 ( 4.227 -3.061 -3.297) 6.173 3.113 ( -3.647 2.684 -0.454) 4.551 3.459 ( -0.995 -1.681 0.161) 1.959 5.205 ( -3.887 -3.964 0.774) 5.606 5.381 ( 4.361 -2.895 0.683) 5.279 5.732 ( -5.103 -1.611 -0.511) 5.376 6.790 ( -1.596 -5.976 -3.846) 7.284 6.881 ( -0.912 -1.675 1.031) 2.168 7.367 ( 1.937 -1.499 3.117) 3.964 7.896 ( 4.618 0.567 7.334) 8.685 7.966 ( 2.806 -3.722 0.208) 4.666 8.205 ( 1.309 1.267 3.572) 4.010 9.523 ( -8.391 4.905 -3.515) 10.336 10.468 ( 8.809 1.566 1.953) 9.158 10.755 ( -6.891 -1.898 -7.606) 10.437 16.886 ( 3.145 -2.236 3.189) 5.006 17.422 ( -3.364 6.357 -5.735) 9.199 18.900 ( -0.106 -0.772 0.154) 0.795 19.259 ( 8.068 5.701 -3.975) 10.649 19.406 ( -1.339 7.334 4.523) 8.720 19.741 ( -6.173 -15.204 1.868) 16.516 ======================= Grid point 522 (259/294) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -7.229 1.788 -7.251) 10.394 2.224 ( 10.192 -1.103 4.008) 11.007 2.358 ( -4.827 2.034 4.171) 6.696 2.914 ( 6.059 -3.959 -2.292) 7.593 3.061 ( -3.904 1.624 -1.321) 4.430 3.412 ( -2.431 -3.649 0.982) 4.493 5.140 ( -0.447 -1.722 -0.623) 1.884 5.446 ( 4.198 -1.944 3.462) 5.778 5.588 ( -8.896 -1.620 -2.142) 9.292 6.737 ( 0.650 2.173 -3.339) 4.037 6.913 ( 4.322 0.265 0.185) 4.334 7.427 ( 3.160 0.611 3.278) 4.594 7.919 ( -1.287 -0.550 -1.716) 2.215 7.994 ( -1.839 2.134 3.603) 4.574 8.233 ( -3.287 1.353 0.895) 3.665 9.448 ( 0.183 -3.421 1.790) 3.865 10.571 ( -5.501 2.923 -6.822) 9.238 10.641 ( 6.815 -3.430 2.482) 8.023 16.918 ( 0.982 -0.642 -0.716) 1.374 17.401 ( -0.409 1.026 -0.128) 1.112 18.898 ( 0.112 0.180 0.070) 0.223 19.409 ( 6.098 -2.609 -7.020) 9.658 19.437 ( -1.282 3.706 -0.627) 3.971 19.558 ( -5.610 -1.523 8.436) 10.245 ======================= Grid point 530 (260/294) ======================= q-point: ( 0.33 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -5.915 4.026 13.319) 15.120 2.083 ( -3.341 3.584 1.898) 5.254 2.581 ( -4.946 -3.500 2.825) 6.686 2.766 ( 6.845 1.393 0.462) 7.000 3.078 ( -3.440 0.396 3.287) 4.774 3.481 ( 4.664 -2.383 -0.863) 5.308 5.241 ( 4.431 1.364 4.115) 6.199 5.442 ( -0.664 -3.803 -3.917) 5.500 5.821 ( 0.141 -2.637 -0.901) 2.790 6.789 ( 2.725 -1.185 -1.898) 3.526 7.178 ( -2.732 -13.051 -3.960) 13.910 7.493 ( 2.024 -0.574 -4.322) 4.807 7.977 ( 0.586 -4.561 -1.016) 4.709 8.029 ( 0.847 5.469 -6.743) 8.723 8.313 ( -0.477 3.016 -6.011) 6.742 9.327 ( -2.083 5.640 9.140) 10.940 10.429 ( -13.192 4.777 -1.307) 14.091 10.662 ( 16.180 -8.049 3.466) 18.402 16.949 ( -3.409 -3.569 0.888) 5.015 17.185 ( 0.507 7.330 4.001) 8.366 18.935 ( 0.096 0.078 -0.405) 0.423 18.994 ( -0.428 3.661 2.116) 4.250 19.349 ( -3.293 1.159 4.072) 5.364 20.148 ( 5.643 -7.180 -8.647) 12.577 ======================= Grid point 531 (261/294) ======================= q-point: ( 0.42 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -5.331 2.154 12.674) 13.917 2.109 ( -0.218 4.132 5.730) 7.068 2.488 ( -2.691 -3.742 -1.325) 4.796 2.894 ( 5.141 3.273 0.704) 6.135 3.047 ( -2.248 -0.590 2.533) 3.438 3.509 ( 2.180 -1.977 -1.543) 3.323 5.316 ( 2.409 -4.108 0.492) 4.788 5.406 ( 0.892 2.017 -0.664) 2.303 5.768 ( -0.706 -6.383 0.095) 6.423 6.858 ( 7.352 -3.971 2.947) 8.861 6.991 ( -1.580 -11.305 -3.961) 12.083 7.485 ( 1.257 -1.281 -4.336) 4.693 7.915 ( -4.773 -2.202 -0.841) 5.323 8.017 ( -2.141 -2.118 -0.800) 3.116 8.219 ( -6.836 -1.484 0.333) 7.003 9.486 ( 9.289 9.814 -2.622) 13.765 10.268 ( -12.626 7.424 1.287) 14.703 10.846 ( 12.064 -7.056 1.291) 14.035 16.883 ( -3.218 -2.452 3.972) 5.670 17.294 ( 2.411 8.667 -1.009) 9.052 18.928 ( 0.326 -1.346 -0.787) 1.592 19.062 ( -0.306 7.228 3.257) 7.934 19.309 ( -4.824 3.074 0.799) 5.776 20.098 ( 4.963 -13.174 -5.010) 14.943 ======================= Grid point 532 (262/294) ======================= q-point: ( 0.50 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -3.625 1.410 9.328) 10.106 2.205 ( 2.245 -0.105 11.706) 11.920 2.415 ( -0.462 -0.975 -6.658) 6.745 2.941 ( -2.730 0.704 -0.809) 2.933 3.071 ( 3.752 1.870 1.445) 4.434 3.501 ( 0.273 -1.499 -1.601) 2.210 5.284 ( 1.302 -4.878 -1.775) 5.351 5.441 ( -1.380 0.481 1.639) 2.196 5.712 ( 1.969 -6.246 1.413) 6.700 6.810 ( 0.304 -11.213 -3.061) 11.628 7.052 ( 9.627 -0.783 7.009) 11.934 7.454 ( -0.216 -2.782 -2.526) 3.764 7.714 ( -14.716 -6.629 3.252) 16.464 7.930 ( -1.912 -7.158 4.841) 8.850 8.177 ( -0.231 4.038 -2.626) 4.822 9.718 ( 10.263 10.575 -10.310) 17.985 10.184 ( -9.082 7.066 7.709) 13.850 10.921 ( 5.679 -5.820 -4.334) 9.214 16.845 ( -2.273 -2.304 5.550) 6.424 17.405 ( 2.948 9.710 -6.127) 11.854 18.914 ( 0.160 -1.658 -0.151) 1.672 19.109 ( -3.062 5.485 -0.796) 6.332 19.319 ( -0.528 7.322 3.744) 8.240 19.998 ( 2.495 -16.544 -1.869) 16.835 ======================= Grid point 533 (263/294) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -0.200 -0.409 7.092) 7.107 2.304 ( 3.713 -6.649 14.164) 16.081 2.371 ( -1.013 5.052 -10.370) 11.580 2.870 ( -3.352 -0.867 -2.864) 4.493 3.154 ( 1.852 2.863 0.387) 3.431 3.475 ( -0.340 -1.510 -1.939) 2.481 5.265 ( 2.521 -3.846 -1.649) 4.885 5.370 ( -5.272 -4.068 2.311) 7.048 5.741 ( 3.741 -2.155 2.049) 4.779 6.724 ( 1.472 -7.051 -1.589) 7.377 7.175 ( -4.433 -2.397 6.047) 7.872 7.375 ( -3.588 -3.360 1.293) 5.083 7.560 ( 4.799 -6.927 11.020) 13.873 7.890 ( 0.932 -4.708 2.159) 5.262 8.206 ( 0.117 4.411 -1.883) 4.798 9.821 ( -2.377 10.201 -11.124) 15.279 10.220 ( 1.910 1.962 8.555) 8.983 10.880 ( -0.092 -2.696 -8.837) 9.239 16.834 ( -0.555 -2.509 5.805) 6.349 17.479 ( 0.920 9.103 -9.875) 13.462 18.903 ( -0.004 -1.189 0.583) 1.324 19.100 ( -0.136 3.643 -3.463) 5.028 19.435 ( 0.175 9.623 4.912) 10.805 19.854 ( -0.308 -17.088 1.652) 17.170 ======================= Grid point 534 (264/294) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 3.785 -3.454 4.656) 6.923 2.319 ( -1.927 1.795 -5.399) 6.007 2.391 ( 1.638 -1.956 8.603) 8.973 2.805 ( -0.937 -0.300 -3.749) 3.876 3.173 ( -1.823 1.496 -1.171) 2.634 3.441 ( 0.029 -2.288 -2.569) 3.440 5.219 ( -2.692 -5.450 -0.896) 6.145 5.321 ( 1.733 -0.859 2.957) 3.534 5.770 ( -0.664 -1.014 1.142) 1.665 6.702 ( 1.849 -2.989 0.351) 3.532 7.009 ( -10.343 -1.881 4.639) 11.491 7.354 ( 0.240 -1.905 4.432) 4.830 7.767 ( 12.931 -5.882 12.352) 18.825 7.897 ( 3.391 -2.013 1.460) 4.206 8.236 ( -0.248 3.411 0.514) 3.458 9.721 ( -11.513 7.381 -8.647) 16.181 10.339 ( 7.948 -3.566 3.524) 9.397 10.784 ( -3.835 1.890 -9.532) 10.446 16.851 ( 1.354 -2.560 5.055) 5.826 17.478 ( -2.059 6.248 -10.597) 12.473 18.900 ( -0.109 -0.306 1.075) 1.123 19.148 ( 5.117 2.782 -4.621) 7.434 19.516 ( -1.413 4.772 -2.829) 5.725 19.723 ( -2.647 -10.115 11.059) 15.219 ======================= Grid point 536 (265/294) ======================= q-point: (-0.25 -0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 6.653 -5.952 0.317) 8.932 2.262 ( -4.581 3.501 -2.915) 6.461 2.443 ( 0.372 -1.235 8.248) 8.348 2.794 ( 2.424 0.243 -4.079) 4.751 3.121 ( -3.630 0.087 -2.086) 4.188 3.395 ( -0.482 -3.859 -2.503) 4.625 5.137 ( -1.738 -2.296 0.163) 2.884 5.388 ( 4.250 -0.257 2.679) 5.031 5.694 ( -7.084 -1.999 -0.382) 7.370 6.730 ( 1.212 2.261 2.332) 3.466 6.938 ( -2.501 3.309 4.037) 5.788 7.399 ( 3.155 -0.864 5.566) 6.456 7.856 ( 2.873 -4.863 0.163) 5.650 8.031 ( 5.329 0.636 6.901) 8.742 8.278 ( 0.647 1.198 4.577) 4.775 9.518 ( -11.217 2.120 -7.976) 13.926 10.448 ( 10.049 -5.424 -0.573) 11.434 10.682 ( -6.576 4.004 -5.734) 9.600 16.886 ( 2.072 -1.893 3.159) 4.225 17.418 ( -2.434 1.877 -7.599) 8.198 18.906 ( -0.209 0.493 1.110) 1.233 19.227 ( 6.152 -1.572 -7.316) 9.687 19.444 ( -1.407 -4.085 -3.545) 5.589 19.738 ( -4.010 5.031 13.201) 14.686 ======================= Grid point 543 (266/294) ======================= q-point: ( 0.33 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 2.439 0.891 3.067) 4.019 2.207 ( -7.138 3.138 3.967) 8.748 2.557 ( 5.653 -0.875 -7.185) 9.184 2.727 ( -2.372 -1.132 4.891) 5.552 3.140 ( -2.277 -1.261 2.379) 3.526 3.389 ( 4.987 -1.663 2.730) 5.924 5.193 ( 3.483 -1.345 2.083) 4.275 5.382 ( 1.234 -1.636 -3.681) 4.213 5.796 ( -0.411 -2.247 -1.594) 2.785 6.756 ( -1.632 1.209 -5.889) 6.229 7.103 ( -4.395 -9.909 -5.098) 11.979 7.443 ( 0.825 0.356 -4.689) 4.774 7.888 ( 4.634 -3.312 -1.806) 5.976 8.003 ( 5.080 8.283 -8.717) 13.053 8.291 ( 1.058 4.325 -6.042) 7.506 9.516 ( -9.813 -3.038 13.099) 16.647 10.378 ( 14.441 -2.500 3.300) 15.023 10.645 ( -9.593 1.777 1.844) 9.929 16.936 ( 0.584 -1.782 -3.762) 4.203 17.293 ( -2.260 3.286 8.995) 9.840 18.926 ( -0.284 -0.222 -1.573) 1.614 19.063 ( -0.130 4.291 4.385) 6.137 19.404 ( 1.437 -1.412 7.912) 8.164 19.970 ( 0.480 -3.425 -14.081) 14.499 ======================= Grid point 544 (267/294) ======================= q-point: ( 0.42 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -2.562 0.476 10.324) 10.648 2.159 ( -1.153 4.776 -2.456) 5.493 2.487 ( -3.598 -4.843 -3.619) 7.036 2.824 ( 7.138 3.016 2.107) 8.031 3.092 ( -3.120 -2.223 1.831) 4.246 3.451 ( 2.938 -1.290 0.829) 3.314 5.218 ( 2.999 -5.541 -0.802) 6.351 5.403 ( 2.060 3.538 -1.272) 4.287 5.728 ( -1.762 -6.568 -0.243) 6.805 6.751 ( 2.890 -2.235 -0.145) 3.656 6.930 ( -3.091 -5.311 -3.777) 7.213 7.439 ( 1.143 0.858 -4.436) 4.660 7.922 ( 1.476 -2.117 1.868) 3.185 8.032 ( -1.509 2.516 -5.198) 5.969 8.284 ( -2.498 0.077 -3.708) 4.471 9.457 ( 0.083 0.274 3.304) 3.316 10.498 ( -6.567 5.308 -1.278) 8.540 10.626 ( 9.143 -3.926 6.219) 11.734 16.915 ( -0.555 -0.984 0.399) 1.198 17.341 ( -0.418 4.260 2.788) 5.108 18.910 ( -0.057 -0.697 -0.991) 1.213 19.165 ( 0.986 8.501 5.671) 10.266 19.409 ( -3.984 0.092 3.492) 5.299 19.865 ( 3.633 -10.085 -10.332) 14.889 ======================= Grid point 545 (268/294) ======================= q-point: ( 0.50 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -5.234 -1.260 7.720) 9.412 2.232 ( 1.731 2.736 3.855) 5.034 2.372 ( -1.187 -2.780 -5.406) 6.194 2.975 ( 3.536 3.834 0.623) 5.253 3.029 ( -0.600 -2.369 0.850) 2.588 3.469 ( 1.102 -1.723 -1.126) 2.334 5.199 ( 1.952 -4.573 -1.242) 5.125 5.469 ( 1.164 2.776 0.543) 3.059 5.632 ( -0.185 -8.272 0.566) 8.293 6.725 ( -0.947 -5.815 0.078) 5.892 6.950 ( 7.053 1.867 3.755) 8.205 7.433 ( -0.149 0.458 -2.555) 2.600 7.865 ( -7.776 -2.368 -1.457) 8.259 7.962 ( -4.940 -6.056 5.369) 9.482 8.202 ( -2.251 -0.187 -0.718) 2.370 9.569 ( 10.004 6.018 -7.364) 13.803 10.421 ( -8.458 1.566 7.757) 11.583 10.756 ( 7.245 -0.439 -3.962) 8.269 16.897 ( -2.045 -1.540 4.346) 5.044 17.398 ( 2.271 5.943 -4.791) 7.965 18.900 ( 0.080 -0.744 -0.007) 0.748 19.251 ( -6.613 7.720 0.480) 10.177 19.394 ( 1.348 4.481 4.562) 6.535 19.770 ( 4.602 -14.798 -4.540) 16.148 ======================= Grid point 546 (269/294) ======================= q-point: ( 0.58 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -3.507 -2.225 4.868) 6.399 2.244 ( 1.019 -9.904 8.750) 13.255 2.382 ( 1.821 8.434 -6.912) 11.056 2.922 ( -4.742 -0.503 -0.978) 4.868 3.124 ( 4.820 2.365 0.151) 5.371 3.442 ( 0.040 -3.022 -3.242) 4.432 5.190 ( 1.810 -2.263 -1.337) 3.191 5.429 ( -4.957 -4.648 2.847) 7.367 5.649 ( 6.299 -1.872 1.324) 6.704 6.679 ( -0.798 -1.666 2.368) 3.003 7.153 ( 9.397 1.174 7.684) 12.195 7.405 ( -2.358 -1.196 1.011) 2.831 7.631 ( -12.439 -7.072 4.948) 15.141 7.876 ( -2.557 -5.325 5.173) 7.852 8.214 ( 1.684 2.800 -1.938) 3.799 9.747 ( 10.259 7.198 -12.206) 17.494 10.339 ( -7.641 -3.256 9.351) 12.507 10.806 ( 2.535 3.215 -8.258) 9.217 16.874 ( -2.340 -2.442 6.239) 7.097 17.456 ( 2.918 6.587 -10.606) 12.821 18.900 ( 0.108 -0.319 1.026) 1.080 19.167 ( -6.197 3.772 -3.473) 8.043 19.515 ( 1.545 5.485 -1.514) 5.896 19.701 ( 3.850 -12.369 7.476) 14.956 ======================= Grid point 548 (270/294) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -1.131 -5.087 2.962) 5.994 2.241 ( 4.602 -10.919 6.875) 13.699 2.439 ( -0.857 8.303 -3.769) 9.158 2.847 ( -4.066 1.690 -1.159) 4.553 3.184 ( 0.841 0.537 -1.141) 1.516 3.384 ( 0.480 -3.934 -5.115) 6.471 5.188 ( 0.587 -1.493 -1.968) 2.539 5.335 ( -2.701 -3.793 3.868) 6.054 5.746 ( 4.128 -0.458 2.476) 4.835 6.702 ( 0.058 2.678 5.658) 6.260 7.183 ( -8.804 -4.140 5.421) 11.137 7.391 ( -2.811 0.137 5.461) 6.143 7.588 ( 10.129 -5.547 12.730) 17.187 7.846 ( 1.045 -2.421 1.586) 3.077 8.259 ( 1.371 2.950 -0.879) 3.369 9.842 ( 0.591 7.712 -12.952) 15.086 10.230 ( -2.109 -8.902 3.164) 9.680 10.813 ( -1.232 6.208 -6.597) 9.142 16.858 ( -1.061 -2.878 6.307) 7.013 17.469 ( 0.647 4.834 -13.130) 14.007 18.910 ( 0.019 0.362 1.662) 1.701 19.114 ( -1.131 2.562 -3.945) 4.838 19.467 ( 0.467 -6.992 -8.282) 10.848 19.792 ( 1.212 2.198 15.859) 16.056 ======================= Grid point 549 (271/294) ======================= q-point: (-0.25 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 2.449 -8.456 1.446) 8.921 2.255 ( 3.989 -8.635 3.021) 9.980 2.464 ( -0.962 3.013 0.433) 3.192 2.815 ( -2.746 4.727 -1.251) 5.608 3.151 ( -2.382 -1.589 -2.061) 3.528 3.331 ( 1.018 -3.340 -5.481) 6.499 5.150 ( -1.680 -1.073 -0.509) 2.057 5.337 ( 2.650 -1.083 2.012) 3.499 5.765 ( -2.903 -1.537 1.614) 3.660 6.795 ( 0.097 7.093 8.812) 11.313 7.065 ( -5.857 0.680 6.261) 8.601 7.390 ( 0.371 -2.398 7.535) 7.916 7.760 ( 5.039 -4.422 4.337) 7.985 7.932 ( 9.598 -1.333 7.085) 12.004 8.305 ( 1.113 2.363 1.953) 3.262 9.706 ( -14.011 4.377 -11.904) 18.899 10.202 ( 9.496 -7.893 -5.983) 13.722 10.800 ( -4.631 6.228 -1.797) 7.966 16.866 ( 0.763 -2.689 5.491) 6.161 17.408 ( -1.724 1.293 -12.072) 12.263 18.925 ( -0.230 0.924 1.711) 1.958 19.112 ( 1.843 -0.475 -5.180) 5.519 19.370 ( 1.353 -5.489 -5.664) 8.002 19.919 ( -1.696 5.675 13.870) 15.081 ======================= Grid point 641 (272/294) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -0.000 0.000 15.326) 15.326 1.553 ( -0.000 0.000 15.326) 15.326 2.430 ( -0.000 0.000 23.384) 23.384 2.817 ( -0.000 0.000 0.310) 0.310 2.817 ( -0.000 0.000 0.310) 0.310 3.763 ( 0.000 -0.000 -4.159) 4.159 5.281 ( -0.000 0.000 5.549) 5.549 5.281 ( -0.000 0.000 5.549) 5.549 5.972 ( -0.000 0.000 2.203) 2.203 7.454 ( -0.000 0.000 5.351) 5.351 7.454 ( -0.000 0.000 5.351) 5.351 7.774 ( 0.000 -0.000 -7.783) 7.783 7.901 ( 0.000 -0.000 -4.931) 4.931 7.901 ( 0.000 -0.000 -4.931) 4.931 8.571 ( -0.000 0.000 0.862) 0.862 9.248 ( 0.000 -0.000 -6.357) 6.357 9.248 ( 0.000 0.000 -6.357) 6.357 11.533 ( -0.000 0.000 0.498) 0.498 16.888 ( -0.000 0.000 3.875) 3.875 16.888 ( -0.000 0.000 3.875) 3.875 18.920 ( 0.000 -0.000 -2.231) 2.231 18.920 ( 0.000 -0.000 -2.231) 2.231 19.037 ( -0.000 0.000 0.283) 0.283 20.756 ( 0.000 -0.000 -0.479) 0.479 ======================= Grid point 642 (273/294) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -0.382 -1.441 16.610) 16.676 1.760 ( 5.544 4.646 10.664) 12.885 2.546 ( -1.596 0.480 17.222) 17.302 2.804 ( 0.601 -1.774 0.492) 1.937 2.872 ( 3.035 2.805 1.350) 4.347 3.711 ( -2.304 -1.494 -4.182) 5.003 5.276 ( -1.337 -1.710 5.678) 6.079 5.370 ( 3.082 2.571 3.566) 5.369 5.966 ( -1.700 -0.968 1.782) 2.646 7.283 ( -13.368 -5.141 5.190) 15.233 7.558 ( 1.868 0.453 1.842) 2.663 7.649 ( -5.100 -4.434 -5.876) 8.955 7.907 ( 3.453 -3.411 -5.791) 7.556 7.922 ( 3.173 5.851 -2.895) 7.258 8.467 ( -7.237 -2.063 -0.936) 7.583 9.086 ( -0.992 -6.366 -1.681) 6.658 9.564 ( 18.565 14.855 -6.865) 24.748 11.443 ( -8.688 -4.640 0.899) 9.891 16.892 ( 0.957 -0.040 4.656) 4.754 16.965 ( 1.960 2.117 1.909) 3.459 18.881 ( -0.817 0.289 -0.959) 1.293 18.991 ( 4.924 2.426 -2.204) 5.915 19.034 ( 0.657 0.023 -0.411) 0.775 20.680 ( -6.272 -3.974 -0.389) 7.435 ======================= Grid point 643 (274/294) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 3.523 0.491 17.300) 17.662 1.936 ( 4.401 4.633 5.184) 8.228 2.609 ( -1.456 2.239 8.440) 8.853 2.798 ( 0.032 -2.100 1.043) 2.344 2.970 ( 3.920 2.338 2.956) 5.438 3.617 ( -3.658 -2.569 -3.551) 5.709 5.269 ( -1.343 -2.642 5.437) 6.192 5.455 ( 2.244 2.898 0.155) 3.669 5.921 ( -3.077 -1.760 0.616) 3.598 7.038 ( -12.788 -5.576 3.967) 14.504 7.485 ( -6.694 -0.693 -4.596) 8.150 7.565 ( -1.409 -0.833 -1.638) 2.315 7.881 ( 3.949 -6.446 -7.019) 10.316 8.013 ( 2.975 4.099 -1.486) 5.279 8.331 ( -4.796 -3.042 -4.339) 7.147 9.097 ( 4.921 -0.709 6.673) 8.322 9.957 ( 17.347 13.929 -6.662) 23.223 11.197 ( -14.820 -7.648 2.014) 16.798 16.970 ( 4.189 0.537 6.052) 7.380 17.008 ( -0.015 2.754 -1.039) 2.944 18.889 ( 0.750 1.484 0.989) 1.934 18.994 ( -1.253 -0.870 -0.662) 1.663 19.145 ( 8.209 3.943 -2.084) 9.342 20.490 ( -9.969 -6.691 -1.199) 12.066 ======================= Grid point 644 (275/294) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 5.247 1.517 14.449) 15.447 2.050 ( 2.805 3.878 1.431) 4.996 2.631 ( -0.715 -0.932 -1.827) 2.172 2.782 ( -2.384 1.003 4.058) 4.812 3.068 ( 3.700 1.424 2.474) 4.673 3.515 ( -3.671 -2.584 -1.411) 4.706 5.248 ( -1.552 -3.588 4.826) 6.211 5.485 ( -1.039 2.778 -3.009) 4.225 5.846 ( -2.966 -2.872 -0.916) 4.229 6.839 ( -7.694 -4.155 1.182) 8.823 7.364 ( -5.617 2.078 -4.029) 7.218 7.501 ( -3.920 0.170 -3.284) 5.117 7.831 ( 4.570 -9.469 -7.744) 13.058 8.059 ( -2.394 3.967 -0.841) 4.709 8.203 ( -0.418 -5.251 -7.067) 8.814 9.296 ( 8.885 4.223 13.004) 16.305 10.284 ( 13.372 10.922 -7.775) 18.936 10.879 ( -16.488 -8.477 5.293) 19.281 16.999 ( -1.012 0.796 -4.024) 4.226 17.109 ( 5.379 2.594 8.234) 10.172 18.935 ( 0.542 1.498 1.534) 2.212 18.967 ( 0.373 -0.177 0.133) 0.433 19.306 ( 7.451 3.985 -0.238) 8.452 20.233 ( -11.015 -7.687 -3.941) 13.998 ======================= Grid point 645 (276/294) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -0.060 -0.212 0.774) 0.804 2.186 ( 6.234 5.083 8.306) 11.562 2.515 ( -4.011 -7.208 -8.656) 11.957 2.807 ( -1.848 4.859 4.178) 6.669 3.143 ( 2.906 0.444 1.510) 3.305 3.438 ( -3.440 -2.125 1.893) 4.465 5.215 ( -1.434 -3.518 3.688) 5.295 5.434 ( -5.121 2.291 -4.354) 7.101 5.779 ( 0.015 -3.851 -2.064) 4.369 6.728 ( -2.284 -1.708 -2.364) 3.705 7.281 ( -6.490 5.742 -5.067) 10.038 7.424 ( -2.050 -0.327 -3.519) 4.086 7.750 ( 3.413 -11.607 -9.717) 15.517 7.954 ( -7.187 -0.812 -4.683) 8.616 8.197 ( 3.959 -0.173 -1.403) 4.204 9.581 ( 9.333 5.205 14.520) 18.028 10.415 ( -2.352 1.416 -12.105) 12.412 10.683 ( -2.637 -0.761 12.597) 12.892 16.944 ( -2.452 0.173 -5.908) 6.399 17.286 ( 6.062 2.451 10.759) 12.590 18.922 ( -0.592 -0.270 -1.374) 1.520 19.032 ( 2.589 2.227 3.733) 5.060 19.442 ( 3.710 2.190 3.925) 5.828 19.962 ( -8.232 -6.221 -9.598) 14.092 ======================= Grid point 654 (277/294) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -0.742 -1.439 13.628) 13.724 1.837 ( 0.906 7.841 9.743) 12.539 2.617 ( 1.264 -5.298 11.652) 12.862 2.839 ( -2.816 2.173 1.053) 3.710 2.869 ( 1.797 4.357 2.649) 5.406 3.686 ( -0.122 -2.640 -4.077) 4.859 5.325 ( -1.189 -0.287 4.897) 5.047 5.376 ( 1.082 1.847 3.146) 3.805 5.972 ( 0.050 -2.795 1.614) 3.228 7.372 ( 3.240 -8.432 4.925) 10.288 7.507 ( -0.429 -5.351 -0.059) 5.368 7.653 ( -2.803 -2.745 -6.041) 7.203 7.773 ( -0.812 -5.908 -0.667) 6.001 7.949 ( 0.001 6.238 -4.091) 7.460 8.387 ( 1.123 -15.339 0.441) 15.386 9.291 ( -15.267 13.514 -1.591) 20.451 9.387 ( 14.636 15.233 -7.065) 22.275 11.458 ( 0.218 -7.972 0.502) 7.991 16.881 ( -0.142 -2.736 4.199) 5.013 17.018 ( 0.405 6.841 1.241) 6.965 18.911 ( 1.878 3.176 -0.638) 3.745 18.945 ( -1.752 3.497 -2.474) 4.628 19.029 ( -0.146 -1.075 -0.038) 1.086 20.675 ( -0.224 -7.961 -0.155) 7.966 ======================= Grid point 655 (278/294) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 2.741 0.498 13.584) 13.866 1.983 ( 1.411 8.088 5.025) 9.626 2.632 ( 0.854 -5.730 4.435) 7.296 2.838 ( -1.420 3.298 1.732) 3.987 2.959 ( 2.128 3.288 3.281) 5.109 3.615 ( -2.042 -3.450 -3.266) 5.171 5.315 ( -2.340 -1.096 4.712) 5.374 5.439 ( 2.371 1.622 0.428) 2.905 5.937 ( -1.458 -3.875 0.900) 4.237 7.225 ( -12.457 -7.156 4.396) 15.024 7.474 ( -1.465 -9.652 -8.360) 12.853 7.503 ( 1.668 -5.656 -0.025) 5.897 7.760 ( 2.364 -3.697 0.832) 4.467 7.996 ( 1.889 4.845 -2.879) 5.944 8.283 ( 0.781 -10.704 0.272) 10.736 9.205 ( -7.336 11.514 2.078) 13.810 9.782 ( 16.614 17.129 -6.466) 24.723 11.311 ( -7.834 -9.886 0.377) 12.619 16.906 ( 2.860 -2.666 4.185) 5.727 17.089 ( -0.661 8.193 -0.751) 8.253 18.930 ( -1.393 4.762 0.337) 4.973 18.992 ( 0.093 -0.981 -0.905) 1.338 19.047 ( 5.909 3.830 -1.423) 7.184 20.534 ( -5.797 -11.047 0.060) 12.476 ======================= Grid point 656 (279/294) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 4.541 1.628 10.933) 11.950 2.087 ( 0.683 6.666 2.128) 7.030 2.586 ( -0.820 -5.953 -2.623) 6.557 2.872 ( -0.773 4.257 2.663) 5.080 3.031 ( 2.475 0.797 1.947) 3.249 3.532 ( -2.406 -2.751 -1.314) 3.884 5.287 ( -2.888 -2.159 4.520) 5.782 5.478 ( 1.813 0.690 -2.341) 3.040 5.860 ( -3.401 -4.428 -0.539) 5.610 6.972 ( -12.547 -6.004 3.327) 14.301 7.312 ( 1.150 -10.790 -9.276) 14.275 7.472 ( 1.332 -5.884 -1.222) 6.156 7.765 ( -2.046 1.573 1.637) 3.056 8.059 ( 3.711 1.895 -1.764) 4.525 8.193 ( -4.034 -3.158 -1.706) 5.399 9.295 ( 3.744 6.392 7.891) 10.823 10.135 ( 13.361 14.323 -7.367) 20.927 11.053 ( -12.124 -10.069 1.807) 15.863 16.953 ( 2.740 -2.171 0.909) 3.612 17.155 ( 0.432 7.516 1.174) 7.619 18.958 ( -1.281 -1.429 -0.766) 2.066 18.981 ( 0.581 5.399 2.043) 5.802 19.205 ( 8.320 4.963 -1.676) 9.832 20.295 ( -9.455 -12.405 -0.648) 15.611 ======================= Grid point 657 (280/294) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 0.518 3.111 -0.221) 3.161 2.196 ( 4.374 3.677 7.873) 9.728 2.456 ( -3.873 -6.717 -7.998) 11.139 2.911 ( -1.964 4.723 2.568) 5.724 3.081 ( 3.710 -1.915 0.219) 4.180 3.477 ( -2.062 -1.353 1.095) 2.698 5.238 ( -2.836 -3.133 3.347) 5.391 5.484 ( -0.316 1.152 -3.046) 3.272 5.742 ( -3.818 -5.697 -1.740) 7.076 6.775 ( -7.328 -3.576 0.580) 8.175 7.203 ( 4.505 -10.071 -9.349) 14.461 7.434 ( -0.400 -2.560 -0.383) 2.619 7.732 ( -6.475 4.622 0.550) 7.974 8.042 ( -6.928 -1.033 -6.507) 9.560 8.144 ( 2.230 2.677 0.937) 3.608 9.511 ( 10.675 0.169 11.604) 15.768 10.362 ( 5.571 10.327 -10.949) 16.049 10.811 ( -8.213 -7.344 7.297) 13.215 16.943 ( -1.177 -0.009 -4.531) 4.681 17.278 ( 4.997 3.835 6.941) 9.373 18.922 ( -0.922 -1.059 -0.891) 1.663 19.069 ( 1.050 6.690 3.170) 7.478 19.373 ( 8.166 3.861 -1.289) 9.124 20.001 ( -10.980 -12.052 -2.568) 16.505 ======================= Grid point 667 (281/294) ======================= q-point: ( 0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -3.703 0.886 13.027) 13.572 1.955 ( -0.146 7.072 5.946) 9.241 2.598 ( -0.005 -6.259 5.931) 8.622 2.857 ( 1.511 2.885 -0.521) 3.299 2.963 ( -2.636 3.531 4.646) 6.403 3.620 ( 1.838 -3.069 -3.567) 5.052 5.351 ( 1.974 1.267 4.601) 5.165 5.408 ( -2.073 -0.373 0.284) 2.126 5.933 ( 1.464 -4.191 0.866) 4.523 7.181 ( 11.576 -8.193 6.221) 15.486 7.398 ( 0.633 -13.327 -4.153) 13.973 7.579 ( 3.081 -1.894 -4.349) 5.656 7.843 ( -7.408 -1.596 -1.736) 7.775 7.985 ( -0.014 5.549 -3.304) 6.458 8.270 ( -1.953 -10.643 1.440) 10.916 9.289 ( 9.852 14.204 -1.759) 17.375 9.696 ( -18.411 13.580 -3.276) 23.111 11.303 ( 8.185 -10.486 1.043) 13.343 16.908 ( -2.895 -2.767 4.037) 5.686 17.076 ( 1.056 7.612 0.001) 7.685 18.906 ( 1.009 3.288 0.743) 3.519 18.996 ( 0.225 -1.027 -0.494) 1.162 19.068 ( -5.764 5.271 -2.194) 8.113 20.543 ( 5.379 -10.333 -0.551) 11.662 ======================= Grid point 668 (282/294) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -0.461 1.831 10.730) 10.895 2.072 ( 0.788 8.751 2.160) 9.048 2.576 ( 1.225 -7.372 4.471) 8.708 2.874 ( -0.796 1.905 -1.610) 2.618 3.009 ( -0.015 4.223 3.497) 5.483 3.580 ( -0.214 -3.683 -2.525) 4.470 5.367 ( -1.694 -1.031 2.516) 3.204 5.419 ( 1.381 0.781 0.240) 1.605 5.908 ( 0.359 -5.432 1.139) 5.562 7.233 ( 0.157 -15.289 -4.489) 15.935 7.299 ( 5.166 -7.416 4.145) 9.943 7.533 ( -5.476 -3.688 -2.575) 7.086 7.711 ( -1.096 -3.853 4.075) 5.714 8.020 ( -0.610 5.715 -2.706) 6.352 8.164 ( 1.117 -10.638 3.611) 11.290 9.452 ( -5.198 11.835 -9.268) 15.905 9.723 ( 5.351 19.607 3.242) 20.581 11.265 ( 0.274 -12.058 -1.051) 12.107 16.889 ( -0.137 -2.227 4.707) 5.209 17.158 ( 0.537 8.773 -3.061) 9.307 18.965 ( 1.585 1.878 -1.547) 2.904 18.982 ( -0.351 0.443 -0.916) 1.077 19.058 ( -1.246 7.441 1.444) 7.681 20.468 ( -0.355 -13.825 0.226) 13.832 ======================= Grid point 669 (283/294) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 3.005 2.462 8.972) 9.777 2.147 ( -0.064 7.313 -4.115) 8.391 2.542 ( -0.945 -6.421 3.158) 7.218 2.875 ( 1.681 0.313 -2.183) 2.773 3.060 ( -0.706 3.503 1.805) 4.004 3.526 ( -1.041 -2.915 -0.747) 3.184 5.345 ( -2.382 -1.234 3.661) 4.538 5.424 ( 1.303 -1.945 -2.824) 3.668 5.859 ( -1.386 -4.581 0.612) 4.825 7.076 ( 1.557 -13.529 -5.528) 14.697 7.167 ( -12.551 -8.272 1.686) 15.126 7.428 ( -0.739 -3.593 2.034) 4.194 7.787 ( 5.023 0.091 6.350) 8.097 8.025 ( -0.199 1.054 -2.737) 2.940 8.166 ( 3.583 -4.325 4.295) 7.070 9.413 ( -5.637 10.232 -3.127) 12.094 10.048 ( 10.634 16.119 -1.276) 19.353 11.090 ( -5.614 -12.360 -2.313) 13.771 16.910 ( 1.568 -2.098 3.788) 4.605 17.220 ( 0.034 8.626 -4.306) 9.641 18.951 ( -0.572 -2.131 -0.205) 2.216 19.016 ( 2.341 4.777 -2.529) 5.890 19.169 ( 2.540 8.506 2.675) 9.272 20.286 ( -5.198 -15.352 0.840) 16.230 ======================= Grid point 670 (284/294) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 1.541 4.658 2.029) 5.310 2.173 ( 2.811 1.447 -4.464) 5.470 2.458 ( -5.033 -3.193 1.118) 6.064 2.912 ( 4.657 -1.393 -1.354) 5.046 3.066 ( -2.357 1.810 0.389) 2.997 3.490 ( -0.739 -1.619 0.518) 1.854 5.288 ( -4.510 -3.271 2.944) 6.301 5.425 ( 3.754 -2.071 -2.371) 4.899 5.774 ( -4.922 -3.315 -0.495) 5.955 6.899 ( -11.259 -6.362 1.205) 12.988 6.975 ( 3.471 -9.539 -5.023) 11.325 7.417 ( 0.498 -2.168 2.829) 3.599 7.873 ( -2.026 4.407 4.034) 6.309 8.020 ( 1.818 -2.311 -1.779) 3.436 8.204 ( -1.133 2.074 2.312) 3.306 9.443 ( 2.645 2.637 2.151) 4.310 10.317 ( 7.146 12.543 -4.029) 14.988 10.864 ( -6.041 -10.872 -0.759) 12.461 16.928 ( 0.463 -0.893 -0.261) 1.039 17.284 ( 2.188 5.696 -0.717) 6.144 18.921 ( -0.827 -1.436 -0.036) 1.657 19.114 ( 4.337 6.835 -1.658) 8.263 19.302 ( 3.435 6.242 1.004) 7.195 20.037 ( -8.667 -14.728 1.623) 17.165 ======================= Grid point 680 (285/294) ======================= q-point: ( 0.42 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -6.048 1.503 12.269) 13.761 2.032 ( 0.920 5.653 1.351) 5.885 2.581 ( -1.788 -5.421 0.563) 5.736 2.843 ( 3.542 2.447 0.764) 4.372 3.053 ( -2.915 1.580 2.518) 4.164 3.539 ( 2.533 -2.371 -2.029) 4.019 5.348 ( 3.484 1.654 4.183) 5.690 5.414 ( -1.334 -3.241 -2.660) 4.400 5.865 ( 1.990 -4.103 -0.132) 4.562 6.964 ( 11.079 -5.425 5.302) 13.427 7.234 ( -0.706 -15.081 -4.126) 15.651 7.488 ( 2.510 -1.969 -4.258) 5.321 7.900 ( -1.440 3.420 -5.680) 6.785 8.000 ( -0.113 0.045 -0.392) 0.410 8.239 ( 0.429 -0.708 -3.076) 3.185 9.330 ( -1.262 7.415 5.215) 9.153 10.071 ( -14.917 11.910 -3.408) 19.390 11.041 ( 12.164 -10.797 3.036) 16.545 16.944 ( -1.735 -2.338 0.604) 2.973 17.150 ( -1.603 6.965 2.671) 7.630 18.941 ( 0.143 1.121 1.374) 1.779 18.979 ( 0.021 1.876 0.773) 2.029 19.219 ( -7.510 5.512 -2.252) 9.584 20.312 ( 9.302 -11.290 -2.061) 14.773 ======================= Grid point 681 (286/294) ======================= q-point: ( 0.50 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -3.755 2.027 7.383) 8.527 2.135 ( 1.442 7.556 -0.706) 7.724 2.517 ( 0.563 -7.310 3.465) 8.110 2.901 ( -0.734 2.596 -0.951) 2.860 3.049 ( 0.224 1.713 0.835) 1.919 3.531 ( 0.876 -2.709 -1.372) 3.160 5.354 ( -0.028 -3.603 -2.528) 4.401 5.427 ( 1.099 1.732 2.882) 3.538 5.844 ( 1.378 -6.171 1.102) 6.419 7.047 ( -0.347 -15.917 -4.540) 16.555 7.148 ( 11.388 -4.615 8.117) 14.727 7.487 ( 2.543 -2.483 -2.680) 4.452 7.793 ( -7.906 -2.181 -0.992) 8.261 8.044 ( 2.477 2.721 -0.157) 3.683 8.147 ( -6.120 -5.787 2.924) 8.916 9.452 ( 5.513 10.633 -8.656) 14.778 10.005 ( -9.783 15.948 5.761) 19.576 11.086 ( 5.881 -12.433 -1.366) 13.821 16.915 ( -1.420 -1.750 4.147) 4.719 17.206 ( 0.123 8.036 -3.524) 8.776 18.949 ( 0.609 -1.750 0.170) 1.861 19.007 ( -1.741 4.568 -0.468) 4.911 19.180 ( -3.023 8.291 0.507) 8.839 20.294 ( 4.754 -15.105 -0.498) 15.843 ======================= Grid point 682 (287/294) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 0.435 1.647 6.087) 6.321 2.176 ( -0.847 7.086 -9.882) 12.190 2.517 ( 2.067 -6.317 8.780) 11.012 2.859 ( -2.701 -0.099 -3.697) 4.580 3.096 ( 1.210 3.350 -0.183) 3.567 3.505 ( -0.111 -2.651 -0.411) 2.685 5.320 ( 1.968 -3.347 -2.653) 4.702 5.432 ( -3.098 -0.939 2.242) 3.938 5.822 ( 1.429 -4.922 1.683) 5.395 6.889 ( 0.902 -12.429 -4.022) 13.095 7.269 ( -0.900 -3.890 6.120) 7.307 7.454 ( -4.053 -3.929 1.224) 5.776 7.708 ( 4.613 -3.242 6.411) 8.538 8.030 ( -2.616 -6.430 3.127) 7.614 8.116 ( 2.388 3.212 1.081) 4.146 9.537 ( -0.670 11.691 -12.649) 17.238 10.121 ( 0.135 14.286 8.570) 16.660 10.988 ( -0.083 -12.971 -5.673) 14.158 16.912 ( -0.570 -1.933 5.312) 5.681 17.257 ( 0.660 8.542 -7.617) 11.464 18.937 ( -0.022 -1.932 0.349) 1.963 19.008 ( -0.142 3.731 -3.231) 4.938 19.269 ( 0.039 10.414 3.344) 10.938 20.184 ( 0.066 -16.599 1.441) 16.661 ======================= Grid point 684 (288/294) ======================= q-point: (-0.33 -0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 4.240 -0.071 3.819) 5.707 2.141 ( -2.274 6.587 -12.008) 13.884 2.532 ( -2.176 -2.719 7.646) 8.402 2.808 ( 1.797 -2.664 -3.858) 5.021 3.123 ( -1.364 2.904 -1.270) 3.450 3.477 ( 0.013 -2.613 -0.297) 2.630 5.311 ( 1.431 -4.749 -3.481) 6.059 5.365 ( -2.748 -1.708 4.106) 5.228 5.804 ( -1.318 -2.181 0.967) 2.725 6.797 ( 1.800 -7.912 -2.636) 8.532 7.099 ( -13.382 -4.621 4.524) 14.862 7.413 ( 0.067 -2.098 4.014) 4.529 7.889 ( 8.556 0.433 8.816) 12.293 7.970 ( -0.339 -4.114 0.027) 4.128 8.203 ( 3.831 0.977 4.701) 6.143 9.509 ( -5.209 8.531 -9.321) 13.667 10.329 ( 4.735 10.052 5.572) 12.430 10.799 ( -2.804 -11.291 -8.220) 14.245 16.920 ( 0.014 -1.665 3.607) 3.973 17.295 ( 0.989 6.890 -7.404) 10.163 18.921 ( -0.424 -1.230 0.729) 1.491 19.055 ( 4.418 3.902 -4.038) 7.145 19.377 ( -0.486 8.617 1.345) 8.735 20.020 ( -3.961 -14.804 4.865) 16.079 ======================= Grid point 805 (289/294) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -0.000 0.000 8.840) 8.840 1.779 ( -0.000 0.000 8.840) 8.840 2.778 ( -0.000 0.000 13.907) 13.907 2.814 ( 0.000 -0.000 -0.456) 0.456 2.814 ( 0.000 0.000 -0.456) 0.456 3.688 ( 0.000 -0.000 -3.660) 3.660 5.367 ( -0.000 0.000 3.577) 3.577 5.367 ( -0.000 0.000 3.577) 3.577 6.007 ( -0.000 0.000 1.470) 1.470 7.525 ( -0.000 0.000 2.191) 2.191 7.525 ( -0.000 0.000 2.191) 2.191 7.654 ( 0.000 -0.000 -4.843) 4.843 7.837 ( 0.000 -0.000 -1.901) 1.901 7.837 ( 0.000 -0.000 -1.901) 1.901 8.583 ( -0.000 0.000 0.453) 0.453 9.149 ( 0.000 -0.000 -4.100) 4.100 9.149 ( 0.000 -0.000 -4.100) 4.100 11.541 ( -0.000 0.000 0.294) 0.294 16.947 ( -0.000 0.000 2.320) 2.320 16.947 ( -0.000 0.000 2.320) 2.320 18.886 ( 0.000 -0.000 -1.370) 1.370 18.886 ( 0.000 0.000 -1.370) 1.370 19.041 ( -0.000 0.000 0.154) 0.154 20.749 ( 0.000 -0.000 -0.275) 0.275 ======================= Grid point 806 (290/294) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 2.679 0.432 9.866) 10.232 1.885 ( 2.930 2.901 2.628) 4.889 2.735 ( -4.675 -1.191 3.116) 5.743 2.811 ( 0.852 -0.606 0.549) 1.181 2.929 ( 4.121 2.113 4.518) 6.470 3.643 ( -2.224 -1.353 -2.808) 3.829 5.365 ( -0.857 -1.341 3.656) 3.987 5.413 ( 1.248 1.512 0.853) 2.138 5.990 ( -2.234 -1.230 0.774) 2.665 7.377 ( -12.136 -5.444 5.004) 14.211 7.534 ( -4.110 -0.932 -3.891) 5.736 7.578 ( -1.392 -2.728 -1.690) 3.498 7.824 ( 0.586 -2.611 -3.049) 4.057 7.893 ( 4.493 3.964 -0.513) 6.014 8.441 ( -8.899 -4.515 -1.826) 10.145 9.106 ( 3.065 -1.125 3.756) 4.977 9.440 ( 18.614 13.335 -6.232) 23.731 11.457 ( -7.807 -4.412 0.566) 8.985 16.970 ( 2.619 0.225 3.520) 4.393 16.978 ( 0.028 1.444 -0.455) 1.514 18.877 ( 0.464 0.880 0.551) 1.137 18.949 ( 5.477 2.596 -2.161) 6.435 19.030 ( -0.798 -0.523 -0.102) 0.960 20.675 ( -6.491 -3.862 -0.188) 7.555 ======================= Grid point 807 (291/294) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 3.794 -0.502 -0.361) 3.844 1.988 ( 4.189 5.364 8.021) 10.519 2.653 ( -3.984 -2.435 -2.614) 5.352 2.832 ( 0.143 1.079 2.555) 2.777 3.025 ( 3.519 1.296 1.894) 4.202 3.568 ( -3.072 -1.866 -1.306) 3.825 5.354 ( -1.274 -2.214 3.410) 4.261 5.440 ( 0.343 1.759 -1.604) 2.405 5.923 ( -3.973 -2.387 -0.439) 4.656 7.129 ( -13.835 -7.482 5.713) 16.734 7.397 ( -5.081 -3.026 -5.268) 7.920 7.527 ( -3.502 0.464 -1.623) 3.887 7.780 ( 0.592 -4.153 -4.085) 5.855 7.996 ( 3.722 3.796 -0.040) 5.317 8.246 ( -7.155 -5.008 -4.847) 9.989 9.262 ( 8.355 3.816 10.492) 13.944 9.825 ( 17.906 11.872 -7.093) 22.624 11.236 ( -12.607 -7.125 2.026) 14.623 16.965 ( -0.831 -0.108 -3.392) 3.494 17.078 ( 5.365 2.909 5.367) 8.127 18.921 ( 2.052 1.760 2.344) 3.578 18.984 ( -1.411 -0.972 -0.427) 1.766 19.099 ( 8.207 4.359 -2.693) 9.675 20.474 ( -11.431 -6.812 -0.549) 13.318 ======================= Grid point 819 (292/294) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -0.293 0.766 6.422) 6.474 1.926 ( 0.333 6.312 -0.232) 6.325 2.729 ( 0.547 -6.102 2.490) 6.613 2.829 ( -0.350 1.663 -1.187) 2.073 2.952 ( -0.132 4.032 3.106) 5.091 3.629 ( -0.029 -2.568 -1.563) 3.006 5.393 ( -1.125 -0.352 1.807) 2.158 5.406 ( 1.095 0.649 0.444) 1.349 5.992 ( 0.039 -2.922 0.543) 2.972 7.452 ( -1.537 -8.343 1.869) 8.687 7.468 ( 3.843 -8.314 -1.550) 9.290 7.576 ( -2.053 -2.541 -1.934) 3.796 7.787 ( -0.631 -2.800 1.430) 3.207 7.899 ( 0.097 5.709 -1.335) 5.864 8.407 ( 0.315 -13.050 1.698) 13.163 9.209 ( -2.785 7.848 -6.812) 10.759 9.351 ( 2.668 20.613 2.933) 20.991 11.463 ( 0.038 -8.256 -0.043) 8.256 16.947 ( -0.074 -1.346 2.805) 3.112 17.017 ( 0.136 4.673 -1.405) 4.881 18.899 ( 0.926 2.227 -1.579) 2.883 18.920 ( -0.911 4.946 0.718) 5.081 19.029 ( -0.025 -1.277 0.033) 1.277 20.673 ( -0.047 -7.693 -0.011) 7.693 ======================= Grid point 820 (293/294) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 1.289 2.684 1.236) 3.223 1.998 ( 3.597 5.712 -1.464) 6.907 2.658 ( -3.535 -5.265 -0.974) 6.416 2.848 ( 1.662 1.546 0.184) 2.277 3.010 ( 1.326 2.866 0.525) 3.201 3.582 ( -1.711 -2.979 0.132) 3.438 5.383 ( -1.139 -0.799 2.365) 2.744 5.421 ( 0.908 0.249 -2.249) 2.438 5.943 ( -2.328 -3.853 -0.162) 4.504 7.289 ( -4.840 -11.016 -1.252) 12.097 7.341 ( -8.440 -9.476 -2.135) 12.868 7.516 ( -0.127 -4.235 2.059) 4.711 7.799 ( -0.643 1.414 2.770) 3.176 7.962 ( 3.024 3.592 -0.575) 4.730 8.287 ( -4.167 -6.323 -0.221) 7.576 9.253 ( 3.648 5.895 2.552) 7.388 9.688 ( 11.380 19.844 -2.800) 23.047 11.314 ( -6.370 -11.041 -0.172) 12.748 16.952 ( -0.244 -0.821 0.073) 0.860 17.073 ( 2.738 5.169 -0.338) 5.859 18.927 ( 1.735 2.867 -1.050) 3.511 18.986 ( -0.006 0.121 0.413) 0.430 19.039 ( 2.974 5.127 0.646) 5.962 20.536 ( -6.109 -10.573 0.237) 12.214 ======================= Grid point 976 (294/294) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.61e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -0.000 0.000 0.000) 0.000 1.862 ( -0.000 0.000 0.000) 0.000 2.808 ( -0.000 0.000 0.000) 0.000 2.808 ( -0.000 0.000 0.000) 0.000 2.911 ( -0.000 0.000 0.000) 0.000 3.649 ( -0.000 0.000 0.000) 0.000 5.402 ( -0.000 0.000 0.000) 0.000 5.402 ( -0.000 0.000 0.000) 0.000 6.021 ( -0.000 0.000 0.000) 0.000 7.542 ( -0.000 0.000 0.000) 0.000 7.542 ( -0.000 0.000 0.000) 0.000 7.608 ( -0.000 0.000 0.000) 0.000 7.823 ( -0.000 0.000 0.000) 0.000 7.823 ( -0.000 0.000 0.000) 0.000 8.587 ( -0.000 0.000 0.000) 0.000 9.109 ( -0.000 0.000 0.000) 0.000 9.109 ( -0.000 0.000 0.000) 0.000 11.544 ( -0.000 0.000 0.000) 0.000 16.969 ( -0.000 0.000 0.000) 0.000 16.969 ( -0.000 0.000 0.000) 0.000 18.873 ( -0.000 0.000 0.000) 0.000 18.873 ( -0.000 0.000 0.000) 0.000 19.043 ( -0.000 0.000 0.000) 0.000 20.746 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/41472 10.0 200.700 200.700 349.393 0.000 -0.000 -0.000 3/41472 20.0 63.692 63.692 93.148 0.000 -0.000 -0.000 3/41472 30.0 34.856 34.856 48.727 0.000 -0.000 -0.000 3/41472 40.0 23.273 23.273 32.064 0.000 -0.000 -0.000 3/41472 50.0 16.840 16.840 22.946 0.000 -0.000 -0.000 3/41472 60.0 12.759 12.759 17.181 0.000 -0.000 -0.000 3/41472 70.0 10.002 10.002 13.306 0.000 -0.000 -0.000 3/41472 80.0 8.075 8.075 10.619 0.000 -0.000 -0.000 3/41472 90.0 6.692 6.692 8.709 0.000 -0.000 -0.000 3/41472 100.0 5.674 5.674 7.318 0.000 -0.000 -0.000 3/41472 110.0 4.905 4.905 6.278 0.000 -0.000 -0.000 3/41472 120.0 4.312 4.312 5.482 0.000 -0.000 -0.000 3/41472 130.0 3.844 3.844 4.860 0.000 -0.000 -0.000 3/41472 140.0 3.467 3.467 4.362 0.000 -0.000 -0.000 3/41472 150.0 3.158 3.158 3.957 0.000 -0.000 -0.000 3/41472 160.0 2.902 2.902 3.623 0.000 -0.000 -0.000 3/41472 170.0 2.685 2.685 3.342 0.000 -0.000 -0.000 3/41472 180.0 2.500 2.500 3.104 0.000 -0.000 -0.000 3/41472 190.0 2.341 2.341 2.898 0.000 -0.000 -0.000 3/41472 200.0 2.201 2.201 2.720 0.000 -0.000 -0.000 3/41472 210.0 2.079 2.079 2.564 0.000 -0.000 -0.000 3/41472 220.0 1.970 1.970 2.426 0.000 -0.000 -0.000 3/41472 230.0 1.873 1.873 2.303 0.000 -0.000 -0.000 3/41472 240.0 1.786 1.786 2.193 0.000 -0.000 -0.000 3/41472 250.0 1.707 1.707 2.093 0.000 -0.000 -0.000 3/41472 260.0 1.636 1.636 2.003 0.000 -0.000 -0.000 3/41472 270.0 1.570 1.570 1.921 0.000 -0.000 -0.000 3/41472 280.0 1.510 1.510 1.845 0.000 -0.000 -0.000 3/41472 290.0 1.455 1.455 1.776 0.000 -0.000 -0.000 3/41472 300.0 1.403 1.403 1.712 0.000 -0.000 -0.000 3/41472 310.0 1.356 1.356 1.653 0.000 -0.000 -0.000 3/41472 320.0 1.311 1.311 1.598 0.000 -0.000 -0.000 3/41472 330.0 1.270 1.270 1.546 0.000 -0.000 -0.000 3/41472 340.0 1.231 1.231 1.498 0.000 -0.000 -0.000 3/41472 350.0 1.195 1.195 1.453 0.000 -0.000 -0.000 3/41472 360.0 1.161 1.161 1.411 0.000 -0.000 -0.000 3/41472 370.0 1.129 1.129 1.372 0.000 -0.000 -0.000 3/41472 380.0 1.099 1.099 1.334 0.000 -0.000 -0.000 3/41472 390.0 1.070 1.070 1.299 0.000 -0.000 -0.000 3/41472 400.0 1.043 1.043 1.265 0.000 -0.000 -0.000 3/41472 410.0 1.017 1.017 1.233 0.000 -0.000 -0.000 3/41472 420.0 0.992 0.992 1.203 0.000 -0.000 -0.000 3/41472 430.0 0.969 0.969 1.174 0.000 -0.000 -0.000 3/41472 440.0 0.947 0.947 1.147 0.000 -0.000 -0.000 3/41472 450.0 0.926 0.926 1.121 0.000 -0.000 -0.000 3/41472 460.0 0.905 0.905 1.096 0.000 -0.000 -0.000 3/41472 470.0 0.886 0.886 1.072 0.000 -0.000 -0.000 3/41472 480.0 0.867 0.867 1.050 0.000 -0.000 -0.000 3/41472 490.0 0.850 0.850 1.028 0.000 -0.000 -0.000 3/41472 500.0 0.832 0.832 1.007 0.000 -0.000 -0.000 3/41472 510.0 0.816 0.816 0.987 0.000 -0.000 -0.000 3/41472 520.0 0.800 0.800 0.968 0.000 -0.000 -0.000 3/41472 530.0 0.785 0.785 0.949 0.000 -0.000 -0.000 3/41472 540.0 0.771 0.771 0.932 0.000 -0.000 -0.000 3/41472 550.0 0.757 0.757 0.914 0.000 -0.000 -0.000 3/41472 560.0 0.743 0.743 0.898 0.000 -0.000 -0.000 3/41472 570.0 0.730 0.730 0.882 0.000 -0.000 -0.000 3/41472 580.0 0.717 0.717 0.867 0.000 -0.000 -0.000 3/41472 590.0 0.705 0.705 0.852 0.000 -0.000 -0.000 3/41472 600.0 0.694 0.694 0.838 0.000 -0.000 -0.000 3/41472 610.0 0.682 0.682 0.824 0.000 -0.000 -0.000 3/41472 620.0 0.671 0.671 0.810 0.000 -0.000 -0.000 3/41472 630.0 0.661 0.661 0.797 0.000 -0.000 -0.000 3/41472 640.0 0.650 0.650 0.785 0.000 -0.000 -0.000 3/41472 650.0 0.640 0.640 0.773 0.000 -0.000 -0.000 3/41472 660.0 0.631 0.631 0.761 0.000 -0.000 -0.000 3/41472 670.0 0.621 0.621 0.750 0.000 -0.000 -0.000 3/41472 680.0 0.612 0.612 0.739 0.000 -0.000 -0.000 3/41472 690.0 0.603 0.603 0.728 0.000 -0.000 -0.000 3/41472 700.0 0.595 0.595 0.717 0.000 -0.000 -0.000 3/41472 710.0 0.586 0.586 0.707 0.000 -0.000 -0.000 3/41472 720.0 0.578 0.578 0.697 0.000 -0.000 -0.000 3/41472 730.0 0.570 0.570 0.688 0.000 -0.000 -0.000 3/41472 740.0 0.563 0.563 0.678 0.000 -0.000 -0.000 3/41472 750.0 0.555 0.555 0.669 0.000 -0.000 -0.000 3/41472 760.0 0.548 0.548 0.661 0.000 -0.000 -0.000 3/41472 770.0 0.541 0.541 0.652 0.000 -0.000 -0.000 3/41472 780.0 0.534 0.534 0.644 0.000 -0.000 -0.000 3/41472 790.0 0.527 0.527 0.635 0.000 -0.000 -0.000 3/41472 800.0 0.520 0.520 0.627 0.000 -0.000 -0.000 3/41472 810.0 0.514 0.514 0.620 0.000 -0.000 -0.000 3/41472 820.0 0.508 0.508 0.612 0.000 -0.000 -0.000 3/41472 830.0 0.502 0.502 0.605 0.000 -0.000 -0.000 3/41472 840.0 0.496 0.496 0.597 0.000 -0.000 -0.000 3/41472 850.0 0.490 0.490 0.590 0.000 -0.000 -0.000 3/41472 860.0 0.484 0.484 0.584 0.000 -0.000 -0.000 3/41472 870.0 0.479 0.479 0.577 0.000 -0.000 -0.000 3/41472 880.0 0.473 0.473 0.570 0.000 -0.000 -0.000 3/41472 890.0 0.468 0.468 0.564 0.000 -0.000 -0.000 3/41472 900.0 0.463 0.463 0.558 0.000 -0.000 -0.000 3/41472 910.0 0.458 0.458 0.551 0.000 -0.000 -0.000 3/41472 920.0 0.453 0.453 0.545 0.000 -0.000 -0.000 3/41472 930.0 0.448 0.448 0.540 0.000 -0.000 -0.000 3/41472 940.0 0.443 0.443 0.534 0.000 -0.000 -0.000 3/41472 950.0 0.438 0.438 0.528 0.000 -0.000 -0.000 3/41472 960.0 0.434 0.434 0.523 0.000 -0.000 -0.000 3/41472 970.0 0.429 0.429 0.517 0.000 -0.000 -0.000 3/41472 980.0 0.425 0.425 0.512 0.000 -0.000 -0.000 3/41472 990.0 0.421 0.421 0.507 0.000 -0.000 -0.000 3/41472 1000.0 0.417 0.417 0.502 0.000 -0.000 -0.000 3/41472 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:58:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|