----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:44:49]------------------------- 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 2.482175675102881 1.433084794196587 4.592817106666662 b -2.482175675102877 1.433084794196587 4.592817106666662 c 0.000000000000000 -2.866169588393173 4.592817106666662 Atomic positions (fractional): *1 O 0.95447621308742 0.55943169459212 0.21909619478933 15.999 2 O 0.21909619478933 0.95447621308742 0.55943169459212 15.999 3 O 0.55943169459212 0.21909619478933 0.95447621308742 15.999 4 O 0.04552378691258 0.44056830540788 0.78090380521067 15.999 5 O 0.44056830540788 0.78090380521067 0.04552378691258 15.999 6 O 0.78090380521067 0.04552378691259 0.44056830540788 15.999 *7 Mg 0.64110161154667 0.64110161154668 0.64110161154667 24.305 8 Mg 0.35889838845332 0.35889838845333 0.35889838845332 24.305 *9 Ge 0.84657475066264 0.84657475066264 0.84657475066264 72.640 10 Ge 0.15342524933736 0.15342524933736 0.15342524933736 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.964351350205758 0.000000000000000 0.000000000000000 b -2.482175675102879 4.299254382589765 0.000000000000000 c 0.000000000000000 0.000000000000000 13.778451320000000 Atomic positions (fractional): *1 O 0.71014151226446 0.02523850603362 0.24433470082295 15.999 > 1 2 O 0.97476149396638 0.68490300623084 0.24433470082295 15.999 > 2 3 O 0.31509699376916 0.28985848773554 0.24433470082295 15.999 > 3 4 O 0.95652515440220 0.30809482729971 0.08899863251038 15.999 > 4 5 O 0.35156967289750 0.04347484559779 0.08899863251038 15.999 > 5 6 O 0.69190517270029 0.64843032710250 0.08899863251038 15.999 > 6 7 O 0.37680817893113 0.35857183936696 0.57766803415629 15.999 > 1 8 O 0.64142816063304 0.01823633956417 0.57766803415629 15.999 > 2 9 O 0.98176366043583 0.62319182106887 0.57766803415629 15.999 > 3 10 O 0.62319182106887 0.64142816063304 0.42233196584371 15.999 > 4 11 O 0.01823633956417 0.37680817893113 0.42233196584371 15.999 > 5 12 O 0.35857183936696 0.98176366043583 0.42233196584371 15.999 > 6 13 O 0.04347484559779 0.69190517270029 0.91100136748962 15.999 > 1 14 O 0.30809482729971 0.35156967289750 0.91100136748962 15.999 > 2 15 O 0.64843032710250 0.95652515440220 0.91100136748962 15.999 > 3 16 O 0.28985848773554 0.97476149396638 0.75566529917704 15.999 > 4 17 O 0.68490300623084 0.71014151226446 0.75566529917704 15.999 > 5 18 O 0.02523850603362 0.31509699376916 0.75566529917704 15.999 > 6 *19 Mg 0.33333333333333 0.66666666666667 0.30776827821334 24.305 > 7 20 Mg 0.33333333333333 0.66666666666667 0.02556505511999 24.305 > 8 21 Mg 0.00000000000000 0.00000000000000 0.64110161154667 24.305 > 7 22 Mg 0.00000000000000 0.00000000000000 0.35889838845333 24.305 > 8 23 Mg 0.66666666666667 0.33333333333333 0.97443494488001 24.305 > 7 24 Mg 0.66666666666667 0.33333333333333 0.69223172178666 24.305 > 8 *25 Ge 0.66666666666667 0.33333333333333 0.17990808399597 72.640 > 9 26 Ge 0.00000000000000 0.00000000000000 0.15342524933736 72.640 > 10 27 Ge 0.33333333333333 0.66666666666667 0.51324141732930 72.640 > 9 28 Ge 0.66666666666667 0.33333333333333 0.48675858267069 72.640 > 10 29 Ge 0.00000000000000 0.00000000000000 0.84657475066264 72.640 > 9 30 Ge 0.33333333333333 0.66666666666667 0.82009191600403 72.640 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.928702700411517 0.000000000000000 0.000000000000000 b -4.964351350205758 8.598508765179529 0.000000000000000 c 0.000000000000000 0.000000000000000 13.778451320000000 Atomic positions (fractional): *1 O 0.35507075613223 0.01261925301681 0.24433470082295 15.999 > 1 2 O 0.85507075613223 0.01261925301681 0.24433470082295 15.999 > 1 3 O 0.35507075613223 0.51261925301681 0.24433470082295 15.999 > 1 4 O 0.85507075613223 0.51261925301681 0.24433470082295 15.999 > 1 5 O 0.48738074698319 0.34245150311542 0.24433470082295 15.999 > 2 6 O 0.98738074698319 0.34245150311542 0.24433470082295 15.999 > 2 7 O 0.48738074698319 0.84245150311542 0.24433470082295 15.999 > 2 8 O 0.98738074698319 0.84245150311542 0.24433470082295 15.999 > 2 9 O 0.15754849688458 0.14492924386777 0.24433470082295 15.999 > 3 10 O 0.65754849688458 0.14492924386777 0.24433470082295 15.999 > 3 11 O 0.15754849688458 0.64492924386777 0.24433470082295 15.999 > 3 12 O 0.65754849688458 0.64492924386777 0.24433470082295 15.999 > 3 13 O 0.47826257720110 0.15404741364985 0.08899863251038 15.999 > 4 14 O 0.97826257720110 0.15404741364985 0.08899863251038 15.999 > 4 15 O 0.47826257720110 0.65404741364985 0.08899863251038 15.999 > 4 16 O 0.97826257720110 0.65404741364985 0.08899863251038 15.999 > 4 17 O 0.17578483644875 0.02173742279890 0.08899863251038 15.999 > 5 18 O 0.67578483644875 0.02173742279890 0.08899863251038 15.999 > 5 19 O 0.17578483644875 0.52173742279890 0.08899863251038 15.999 > 5 20 O 0.67578483644875 0.52173742279890 0.08899863251038 15.999 > 5 21 O 0.34595258635014 0.32421516355125 0.08899863251038 15.999 > 6 22 O 0.84595258635014 0.32421516355125 0.08899863251038 15.999 > 6 23 O 0.34595258635014 0.82421516355125 0.08899863251038 15.999 > 6 24 O 0.84595258635014 0.82421516355125 0.08899863251038 15.999 > 6 25 O 0.18840408946556 0.17928591968348 0.57766803415629 15.999 > 1 26 O 0.68840408946556 0.17928591968348 0.57766803415629 15.999 > 1 27 O 0.18840408946556 0.67928591968348 0.57766803415629 15.999 > 1 28 O 0.68840408946556 0.67928591968348 0.57766803415629 15.999 > 1 29 O 0.32071408031652 0.00911816978208 0.57766803415629 15.999 > 2 30 O 0.82071408031652 0.00911816978208 0.57766803415629 15.999 > 2 31 O 0.32071408031652 0.50911816978209 0.57766803415629 15.999 > 2 32 O 0.82071408031652 0.50911816978209 0.57766803415629 15.999 > 2 33 O 0.49088183021791 0.31159591053444 0.57766803415629 15.999 > 3 34 O 0.99088183021791 0.31159591053444 0.57766803415629 15.999 > 3 35 O 0.49088183021791 0.81159591053444 0.57766803415629 15.999 > 3 36 O 0.99088183021791 0.81159591053444 0.57766803415629 15.999 > 3 37 O 0.31159591053444 0.32071408031652 0.42233196584371 15.999 > 4 38 O 0.81159591053444 0.32071408031652 0.42233196584371 15.999 > 4 39 O 0.31159591053444 0.82071408031652 0.42233196584371 15.999 > 4 40 O 0.81159591053444 0.82071408031652 0.42233196584371 15.999 > 4 41 O 0.00911816978208 0.18840408946556 0.42233196584371 15.999 > 5 42 O 0.50911816978209 0.18840408946556 0.42233196584371 15.999 > 5 43 O 0.00911816978208 0.68840408946556 0.42233196584371 15.999 > 5 44 O 0.50911816978209 0.68840408946556 0.42233196584371 15.999 > 5 45 O 0.17928591968348 0.49088183021791 0.42233196584371 15.999 > 6 46 O 0.67928591968348 0.49088183021791 0.42233196584371 15.999 > 6 47 O 0.17928591968348 0.99088183021791 0.42233196584371 15.999 > 6 48 O 0.67928591968348 0.99088183021791 0.42233196584371 15.999 > 6 49 O 0.02173742279890 0.34595258635014 0.91100136748962 15.999 > 1 50 O 0.52173742279890 0.34595258635014 0.91100136748962 15.999 > 1 51 O 0.02173742279890 0.84595258635014 0.91100136748962 15.999 > 1 52 O 0.52173742279890 0.84595258635014 0.91100136748962 15.999 > 1 53 O 0.15404741364985 0.17578483644875 0.91100136748962 15.999 > 2 54 O 0.65404741364985 0.17578483644875 0.91100136748962 15.999 > 2 55 O 0.15404741364985 0.67578483644875 0.91100136748962 15.999 > 2 56 O 0.65404741364985 0.67578483644875 0.91100136748962 15.999 > 2 57 O 0.32421516355125 0.47826257720110 0.91100136748962 15.999 > 3 58 O 0.82421516355125 0.47826257720110 0.91100136748962 15.999 > 3 59 O 0.32421516355125 0.97826257720110 0.91100136748962 15.999 > 3 60 O 0.82421516355125 0.97826257720110 0.91100136748962 15.999 > 3 61 O 0.14492924386777 0.48738074698319 0.75566529917704 15.999 > 4 62 O 0.64492924386777 0.48738074698319 0.75566529917704 15.999 > 4 63 O 0.14492924386777 0.98738074698319 0.75566529917704 15.999 > 4 64 O 0.64492924386777 0.98738074698319 0.75566529917704 15.999 > 4 65 O 0.34245150311542 0.35507075613223 0.75566529917704 15.999 > 5 66 O 0.84245150311542 0.35507075613223 0.75566529917704 15.999 > 5 67 O 0.34245150311542 0.85507075613223 0.75566529917704 15.999 > 5 68 O 0.84245150311542 0.85507075613223 0.75566529917704 15.999 > 5 69 O 0.01261925301681 0.15754849688458 0.75566529917704 15.999 > 6 70 O 0.51261925301681 0.15754849688458 0.75566529917704 15.999 > 6 71 O 0.01261925301681 0.65754849688458 0.75566529917704 15.999 > 6 72 O 0.51261925301681 0.65754849688458 0.75566529917704 15.999 > 6 *73 Mg 0.16666666666667 0.33333333333333 0.30776827821334 24.305 > 7 74 Mg 0.66666666666667 0.33333333333333 0.30776827821334 24.305 > 7 75 Mg 0.16666666666667 0.83333333333333 0.30776827821334 24.305 > 7 76 Mg 0.66666666666667 0.83333333333333 0.30776827821334 24.305 > 7 77 Mg 0.16666666666667 0.33333333333333 0.02556505511999 24.305 > 8 78 Mg 0.66666666666667 0.33333333333333 0.02556505511999 24.305 > 8 79 Mg 0.16666666666667 0.83333333333333 0.02556505511999 24.305 > 8 80 Mg 0.66666666666667 0.83333333333333 0.02556505511999 24.305 > 8 81 Mg 0.00000000000000 0.00000000000000 0.64110161154667 24.305 > 7 82 Mg 0.50000000000000 0.00000000000000 0.64110161154667 24.305 > 7 83 Mg 0.00000000000000 0.50000000000000 0.64110161154667 24.305 > 7 84 Mg 0.50000000000000 0.50000000000000 0.64110161154667 24.305 > 7 85 Mg 0.00000000000000 0.00000000000000 0.35889838845333 24.305 > 8 86 Mg 0.50000000000000 0.00000000000000 0.35889838845333 24.305 > 8 87 Mg 0.00000000000000 0.50000000000000 0.35889838845333 24.305 > 8 88 Mg 0.50000000000000 0.50000000000000 0.35889838845333 24.305 > 8 89 Mg 0.33333333333333 0.16666666666667 0.97443494488001 24.305 > 7 90 Mg 0.83333333333333 0.16666666666667 0.97443494488001 24.305 > 7 91 Mg 0.33333333333333 0.66666666666667 0.97443494488001 24.305 > 7 92 Mg 0.83333333333333 0.66666666666667 0.97443494488001 24.305 > 7 93 Mg 0.33333333333333 0.16666666666667 0.69223172178666 24.305 > 8 94 Mg 0.83333333333333 0.16666666666667 0.69223172178666 24.305 > 8 95 Mg 0.33333333333333 0.66666666666667 0.69223172178666 24.305 > 8 96 Mg 0.83333333333333 0.66666666666667 0.69223172178666 24.305 > 8 *97 Ge 0.33333333333333 0.16666666666667 0.17990808399597 72.640 > 9 98 Ge 0.83333333333333 0.16666666666667 0.17990808399597 72.640 > 9 99 Ge 0.33333333333333 0.66666666666667 0.17990808399597 72.640 > 9 100 Ge 0.83333333333333 0.66666666666667 0.17990808399597 72.640 > 9 101 Ge 0.00000000000000 0.00000000000000 0.15342524933736 72.640 > 10 102 Ge 0.50000000000000 0.00000000000000 0.15342524933736 72.640 > 10 103 Ge 0.00000000000000 0.50000000000000 0.15342524933736 72.640 > 10 104 Ge 0.50000000000000 0.50000000000000 0.15342524933736 72.640 > 10 105 Ge 0.16666666666667 0.33333333333333 0.51324141732930 72.640 > 9 106 Ge 0.66666666666667 0.33333333333333 0.51324141732930 72.640 > 9 107 Ge 0.16666666666667 0.83333333333333 0.51324141732930 72.640 > 9 108 Ge 0.66666666666667 0.83333333333333 0.51324141732930 72.640 > 9 109 Ge 0.33333333333333 0.16666666666667 0.48675858267069 72.640 > 10 110 Ge 0.83333333333333 0.16666666666667 0.48675858267069 72.640 > 10 111 Ge 0.33333333333333 0.66666666666667 0.48675858267069 72.640 > 10 112 Ge 0.83333333333333 0.66666666666667 0.48675858267069 72.640 > 10 113 Ge 0.00000000000000 0.00000000000000 0.84657475066264 72.640 > 9 114 Ge 0.50000000000000 0.00000000000000 0.84657475066264 72.640 > 9 115 Ge 0.00000000000000 0.50000000000000 0.84657475066264 72.640 > 9 116 Ge 0.50000000000000 0.50000000000000 0.84657475066264 72.640 > 9 117 Ge 0.16666666666667 0.33333333333333 0.82009191600403 72.640 > 10 118 Ge 0.66666666666667 0.33333333333333 0.82009191600403 72.640 > 10 119 Ge 0.16666666666667 0.83333333333333 0.82009191600403 72.640 > 10 120 Ge 0.66666666666667 0.83333333333333 0.82009191600403 72.640 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7529015 0.0000021 0.0000000 -0.0000021 3.7529015 0.0000000 0.0000000 0.0000000 3.4201586 -------------------------- Born effective charges -------------------------- 1 O -2.2263720 0.2394813 0.0609408 0.2747350 -1.8603271 0.2178639 0.0478404 0.3450777 -1.8215178 2 O -1.7291761 0.0123211 -0.2191461 0.0475749 -2.3575229 -0.0561556 -0.3227662 -0.1311078 -1.8215178 3 O -2.1745005 -0.3046830 0.1582052 -0.2694293 -1.9121986 -0.1617083 0.2749258 -0.2139699 -1.8215178 4 O -2.2263720 0.2394813 0.0609408 0.2747350 -1.8603271 0.2178639 0.0478404 0.3450777 -1.8215178 5 O -2.1745005 -0.3046830 0.1582052 -0.2694293 -1.9121986 -0.1617083 0.2749258 -0.2139699 -1.8215178 6 O -1.7291761 0.0123211 -0.2191461 0.0475749 -2.3575229 -0.0561556 -0.3227662 -0.1311078 -1.8215178 7 Mg 2.0722717 0.0620512 -0.0000000 -0.0620512 2.0722717 -0.0000000 0.0000000 0.0000000 2.4454753 8 Mg 2.0722717 0.0620512 -0.0000000 -0.0620512 2.0722717 -0.0000000 0.0000000 0.0000000 2.4454753 9 Ge 4.0577769 -0.0091706 -0.0000000 0.0091706 4.0577769 -0.0000000 0.0000000 0.0000000 3.0190782 10 Ge 4.0577769 -0.0091706 -0.0000000 0.0091706 4.0577769 -0.0000000 0.0000000 0.0000000 3.0190782 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 450 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 240 - Time: 1.081 Solver_block: 200 / 240 - Time: 1.055 Solver_block: 240 / 240 - Time: 0.476 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.637 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 450 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), 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 19:45:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:45:03]------------------------- 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 2.482175675102881 1.433084794196587 4.592817106666662 b -2.482175675102877 1.433084794196587 4.592817106666662 c 0.000000000000000 -2.866169588393173 4.592817106666662 Atomic positions (fractional): 1 O 0.95447621308742 0.55943169459212 0.21909619478933 15.999 2 O 0.21909619478933 0.95447621308742 0.55943169459212 15.999 3 O 0.55943169459212 0.21909619478933 0.95447621308742 15.999 4 O 0.04552378691258 0.44056830540788 0.78090380521067 15.999 5 O 0.44056830540788 0.78090380521067 0.04552378691258 15.999 6 O 0.78090380521067 0.04552378691259 0.44056830540788 15.999 7 Mg 0.64110161154667 0.64110161154668 0.64110161154667 24.305 8 Mg 0.35889838845332 0.35889838845333 0.35889838845332 24.305 9 Ge 0.84657475066264 0.84657475066264 0.84657475066264 72.640 10 Ge 0.15342524933736 0.15342524933736 0.15342524933736 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.928702700411517 0.000000000000000 0.000000000000000 b -4.964351350205758 8.598508765179529 0.000000000000000 c 0.000000000000000 0.000000000000000 13.778451320000000 Atomic positions (fractional): 1 O 0.35507075613223 0.01261925301681 0.24433470082295 15.999 > 1 2 O 0.85507075613223 0.01261925301681 0.24433470082295 15.999 > 1 3 O 0.35507075613223 0.51261925301681 0.24433470082295 15.999 > 1 4 O 0.85507075613223 0.51261925301681 0.24433470082295 15.999 > 1 5 O 0.48738074698319 0.34245150311542 0.24433470082295 15.999 > 5 6 O 0.98738074698319 0.34245150311542 0.24433470082295 15.999 > 5 7 O 0.48738074698319 0.84245150311542 0.24433470082295 15.999 > 5 8 O 0.98738074698319 0.84245150311542 0.24433470082295 15.999 > 5 9 O 0.15754849688458 0.14492924386777 0.24433470082295 15.999 > 9 10 O 0.65754849688458 0.14492924386777 0.24433470082295 15.999 > 9 11 O 0.15754849688458 0.64492924386777 0.24433470082295 15.999 > 9 12 O 0.65754849688458 0.64492924386777 0.24433470082295 15.999 > 9 13 O 0.47826257720110 0.15404741364985 0.08899863251038 15.999 > 13 14 O 0.97826257720110 0.15404741364985 0.08899863251038 15.999 > 13 15 O 0.47826257720110 0.65404741364985 0.08899863251038 15.999 > 13 16 O 0.97826257720110 0.65404741364985 0.08899863251038 15.999 > 13 17 O 0.17578483644875 0.02173742279890 0.08899863251038 15.999 > 17 18 O 0.67578483644875 0.02173742279890 0.08899863251038 15.999 > 17 19 O 0.17578483644875 0.52173742279890 0.08899863251038 15.999 > 17 20 O 0.67578483644875 0.52173742279890 0.08899863251038 15.999 > 17 21 O 0.34595258635014 0.32421516355125 0.08899863251038 15.999 > 21 22 O 0.84595258635014 0.32421516355125 0.08899863251038 15.999 > 21 23 O 0.34595258635014 0.82421516355125 0.08899863251038 15.999 > 21 24 O 0.84595258635014 0.82421516355125 0.08899863251038 15.999 > 21 25 O 0.18840408946556 0.17928591968348 0.57766803415629 15.999 > 1 26 O 0.68840408946556 0.17928591968348 0.57766803415629 15.999 > 1 27 O 0.18840408946556 0.67928591968348 0.57766803415629 15.999 > 1 28 O 0.68840408946556 0.67928591968348 0.57766803415629 15.999 > 1 29 O 0.32071408031652 0.00911816978208 0.57766803415629 15.999 > 5 30 O 0.82071408031652 0.00911816978208 0.57766803415629 15.999 > 5 31 O 0.32071408031652 0.50911816978209 0.57766803415629 15.999 > 5 32 O 0.82071408031652 0.50911816978209 0.57766803415629 15.999 > 5 33 O 0.49088183021791 0.31159591053444 0.57766803415629 15.999 > 9 34 O 0.99088183021791 0.31159591053444 0.57766803415629 15.999 > 9 35 O 0.49088183021791 0.81159591053444 0.57766803415629 15.999 > 9 36 O 0.99088183021791 0.81159591053444 0.57766803415629 15.999 > 9 37 O 0.31159591053444 0.32071408031652 0.42233196584371 15.999 > 13 38 O 0.81159591053444 0.32071408031652 0.42233196584371 15.999 > 13 39 O 0.31159591053444 0.82071408031652 0.42233196584371 15.999 > 13 40 O 0.81159591053444 0.82071408031652 0.42233196584371 15.999 > 13 41 O 0.00911816978208 0.18840408946556 0.42233196584371 15.999 > 17 42 O 0.50911816978209 0.18840408946556 0.42233196584371 15.999 > 17 43 O 0.00911816978208 0.68840408946556 0.42233196584371 15.999 > 17 44 O 0.50911816978209 0.68840408946556 0.42233196584371 15.999 > 17 45 O 0.17928591968348 0.49088183021791 0.42233196584371 15.999 > 21 46 O 0.67928591968348 0.49088183021791 0.42233196584371 15.999 > 21 47 O 0.17928591968348 0.99088183021791 0.42233196584371 15.999 > 21 48 O 0.67928591968348 0.99088183021791 0.42233196584371 15.999 > 21 49 O 0.02173742279890 0.34595258635014 0.91100136748962 15.999 > 1 50 O 0.52173742279890 0.34595258635014 0.91100136748962 15.999 > 1 51 O 0.02173742279890 0.84595258635014 0.91100136748962 15.999 > 1 52 O 0.52173742279890 0.84595258635014 0.91100136748962 15.999 > 1 53 O 0.15404741364985 0.17578483644875 0.91100136748962 15.999 > 5 54 O 0.65404741364985 0.17578483644875 0.91100136748962 15.999 > 5 55 O 0.15404741364985 0.67578483644875 0.91100136748962 15.999 > 5 56 O 0.65404741364985 0.67578483644875 0.91100136748962 15.999 > 5 57 O 0.32421516355125 0.47826257720110 0.91100136748962 15.999 > 9 58 O 0.82421516355125 0.47826257720110 0.91100136748962 15.999 > 9 59 O 0.32421516355125 0.97826257720110 0.91100136748962 15.999 > 9 60 O 0.82421516355125 0.97826257720110 0.91100136748962 15.999 > 9 61 O 0.14492924386777 0.48738074698319 0.75566529917704 15.999 > 13 62 O 0.64492924386777 0.48738074698319 0.75566529917704 15.999 > 13 63 O 0.14492924386777 0.98738074698319 0.75566529917704 15.999 > 13 64 O 0.64492924386777 0.98738074698319 0.75566529917704 15.999 > 13 65 O 0.34245150311542 0.35507075613223 0.75566529917704 15.999 > 17 66 O 0.84245150311542 0.35507075613223 0.75566529917704 15.999 > 17 67 O 0.34245150311542 0.85507075613223 0.75566529917704 15.999 > 17 68 O 0.84245150311542 0.85507075613223 0.75566529917704 15.999 > 17 69 O 0.01261925301681 0.15754849688458 0.75566529917704 15.999 > 21 70 O 0.51261925301681 0.15754849688458 0.75566529917704 15.999 > 21 71 O 0.01261925301681 0.65754849688458 0.75566529917704 15.999 > 21 72 O 0.51261925301681 0.65754849688458 0.75566529917704 15.999 > 21 73 Mg 0.16666666666667 0.33333333333333 0.30776827821334 24.305 > 73 74 Mg 0.66666666666667 0.33333333333333 0.30776827821334 24.305 > 73 75 Mg 0.16666666666667 0.83333333333333 0.30776827821334 24.305 > 73 76 Mg 0.66666666666667 0.83333333333333 0.30776827821334 24.305 > 73 77 Mg 0.16666666666667 0.33333333333333 0.02556505511999 24.305 > 77 78 Mg 0.66666666666667 0.33333333333333 0.02556505511999 24.305 > 77 79 Mg 0.16666666666667 0.83333333333333 0.02556505511999 24.305 > 77 80 Mg 0.66666666666667 0.83333333333333 0.02556505511999 24.305 > 77 81 Mg 0.00000000000000 0.00000000000000 0.64110161154667 24.305 > 73 82 Mg 0.50000000000000 0.00000000000000 0.64110161154667 24.305 > 73 83 Mg 0.00000000000000 0.50000000000000 0.64110161154667 24.305 > 73 84 Mg 0.50000000000000 0.50000000000000 0.64110161154667 24.305 > 73 85 Mg 0.00000000000000 0.00000000000000 0.35889838845333 24.305 > 77 86 Mg 0.50000000000000 0.00000000000000 0.35889838845333 24.305 > 77 87 Mg 0.00000000000000 0.50000000000000 0.35889838845333 24.305 > 77 88 Mg 0.50000000000000 0.50000000000000 0.35889838845333 24.305 > 77 89 Mg 0.33333333333333 0.16666666666667 0.97443494488001 24.305 > 73 90 Mg 0.83333333333333 0.16666666666667 0.97443494488001 24.305 > 73 91 Mg 0.33333333333333 0.66666666666667 0.97443494488001 24.305 > 73 92 Mg 0.83333333333333 0.66666666666667 0.97443494488001 24.305 > 73 93 Mg 0.33333333333333 0.16666666666667 0.69223172178666 24.305 > 77 94 Mg 0.83333333333333 0.16666666666667 0.69223172178666 24.305 > 77 95 Mg 0.33333333333333 0.66666666666667 0.69223172178666 24.305 > 77 96 Mg 0.83333333333333 0.66666666666667 0.69223172178666 24.305 > 77 97 Ge 0.33333333333333 0.16666666666667 0.17990808399597 72.640 > 97 98 Ge 0.83333333333333 0.16666666666667 0.17990808399597 72.640 > 97 99 Ge 0.33333333333333 0.66666666666667 0.17990808399597 72.640 > 97 100 Ge 0.83333333333333 0.66666666666667 0.17990808399597 72.640 > 97 101 Ge 0.00000000000000 0.00000000000000 0.15342524933736 72.640 > 101 102 Ge 0.50000000000000 0.00000000000000 0.15342524933736 72.640 > 101 103 Ge 0.00000000000000 0.50000000000000 0.15342524933736 72.640 > 101 104 Ge 0.50000000000000 0.50000000000000 0.15342524933736 72.640 > 101 105 Ge 0.16666666666667 0.33333333333333 0.51324141732930 72.640 > 97 106 Ge 0.66666666666667 0.33333333333333 0.51324141732930 72.640 > 97 107 Ge 0.16666666666667 0.83333333333333 0.51324141732930 72.640 > 97 108 Ge 0.66666666666667 0.83333333333333 0.51324141732930 72.640 > 97 109 Ge 0.33333333333333 0.16666666666667 0.48675858267069 72.640 > 101 110 Ge 0.83333333333333 0.16666666666667 0.48675858267069 72.640 > 101 111 Ge 0.33333333333333 0.66666666666667 0.48675858267069 72.640 > 101 112 Ge 0.83333333333333 0.66666666666667 0.48675858267069 72.640 > 101 113 Ge 0.00000000000000 0.00000000000000 0.84657475066264 72.640 > 97 114 Ge 0.50000000000000 0.00000000000000 0.84657475066264 72.640 > 97 115 Ge 0.00000000000000 0.50000000000000 0.84657475066264 72.640 > 97 116 Ge 0.50000000000000 0.50000000000000 0.84657475066264 72.640 > 97 117 Ge 0.16666666666667 0.33333333333333 0.82009191600403 72.640 > 101 118 Ge 0.66666666666667 0.33333333333333 0.82009191600403 72.640 > 101 119 Ge 0.16666666666667 0.83333333333333 0.82009191600403 72.640 > 101 120 Ge 0.66666666666667 0.83333333333333 0.82009191600403 72.640 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7529015 0.0000021 0.0000000 -0.0000021 3.7529015 0.0000000 0.0000000 0.0000000 3.4201586 -------------------------- Born effective charges -------------------------- 1 O -2.2263720 0.2394813 0.0609408 0.2747350 -1.8603271 0.2178639 0.0478404 0.3450777 -1.8215178 2 O -1.7291761 0.0123211 -0.2191461 0.0475749 -2.3575229 -0.0561556 -0.3227662 -0.1311078 -1.8215178 3 O -2.1745005 -0.3046830 0.1582052 -0.2694293 -1.9121986 -0.1617083 0.2749258 -0.2139699 -1.8215178 4 O -2.2263720 0.2394813 0.0609408 0.2747350 -1.8603271 0.2178639 0.0478404 0.3450777 -1.8215178 5 O -2.1745005 -0.3046830 0.1582052 -0.2694293 -1.9121986 -0.1617083 0.2749258 -0.2139699 -1.8215178 6 O -1.7291761 0.0123211 -0.2191461 0.0475749 -2.3575229 -0.0561556 -0.3227662 -0.1311078 -1.8215178 7 Mg 2.0722717 0.0620512 -0.0000000 -0.0620512 2.0722717 -0.0000000 0.0000000 0.0000000 2.4454753 8 Mg 2.0722717 0.0620512 -0.0000000 -0.0620512 2.0722717 -0.0000000 0.0000000 0.0000000 2.4454753 9 Ge 4.0577769 -0.0091706 -0.0000000 0.0091706 4.0577769 -0.0000000 0.0000000 0.0000000 3.0190782 10 Ge 4.0577769 -0.0091706 -0.0000000 0.0091706 4.0577769 -0.0000000 0.0000000 0.0000000 3.0190782 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, 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[ 97, 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: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (yx) -0.00000003 (yx) 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 19:45:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:45:14]------------------------- 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 2.482175675102881 1.433084794196587 4.592817106666662 b -2.482175675102877 1.433084794196587 4.592817106666662 c 0.000000000000000 -2.866169588393173 4.592817106666662 Atomic positions (fractional): 1 O 0.95447621308742 0.55943169459212 0.21909619478933 15.999 2 O 0.21909619478933 0.95447621308742 0.55943169459212 15.999 3 O 0.55943169459212 0.21909619478933 0.95447621308742 15.999 4 O 0.04552378691258 0.44056830540788 0.78090380521067 15.999 5 O 0.44056830540788 0.78090380521067 0.04552378691258 15.999 6 O 0.78090380521067 0.04552378691259 0.44056830540788 15.999 7 Mg 0.64110161154667 0.64110161154668 0.64110161154667 24.305 8 Mg 0.35889838845332 0.35889838845333 0.35889838845332 24.305 9 Ge 0.84657475066264 0.84657475066264 0.84657475066264 72.640 10 Ge 0.15342524933736 0.15342524933736 0.15342524933736 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.928702700411517 0.000000000000000 0.000000000000000 b -4.964351350205758 8.598508765179529 0.000000000000000 c 0.000000000000000 0.000000000000000 13.778451320000000 Atomic positions (fractional): 1 O 0.35507075613223 0.01261925301681 0.24433470082295 15.999 > 1 2 O 0.85507075613223 0.01261925301681 0.24433470082295 15.999 > 1 3 O 0.35507075613223 0.51261925301681 0.24433470082295 15.999 > 1 4 O 0.85507075613223 0.51261925301681 0.24433470082295 15.999 > 1 5 O 0.48738074698319 0.34245150311542 0.24433470082295 15.999 > 5 6 O 0.98738074698319 0.34245150311542 0.24433470082295 15.999 > 5 7 O 0.48738074698319 0.84245150311542 0.24433470082295 15.999 > 5 8 O 0.98738074698319 0.84245150311542 0.24433470082295 15.999 > 5 9 O 0.15754849688458 0.14492924386777 0.24433470082295 15.999 > 9 10 O 0.65754849688458 0.14492924386777 0.24433470082295 15.999 > 9 11 O 0.15754849688458 0.64492924386777 0.24433470082295 15.999 > 9 12 O 0.65754849688458 0.64492924386777 0.24433470082295 15.999 > 9 13 O 0.47826257720110 0.15404741364985 0.08899863251038 15.999 > 13 14 O 0.97826257720110 0.15404741364985 0.08899863251038 15.999 > 13 15 O 0.47826257720110 0.65404741364985 0.08899863251038 15.999 > 13 16 O 0.97826257720110 0.65404741364985 0.08899863251038 15.999 > 13 17 O 0.17578483644875 0.02173742279890 0.08899863251038 15.999 > 17 18 O 0.67578483644875 0.02173742279890 0.08899863251038 15.999 > 17 19 O 0.17578483644875 0.52173742279890 0.08899863251038 15.999 > 17 20 O 0.67578483644875 0.52173742279890 0.08899863251038 15.999 > 17 21 O 0.34595258635014 0.32421516355125 0.08899863251038 15.999 > 21 22 O 0.84595258635014 0.32421516355125 0.08899863251038 15.999 > 21 23 O 0.34595258635014 0.82421516355125 0.08899863251038 15.999 > 21 24 O 0.84595258635014 0.82421516355125 0.08899863251038 15.999 > 21 25 O 0.18840408946556 0.17928591968348 0.57766803415629 15.999 > 1 26 O 0.68840408946556 0.17928591968348 0.57766803415629 15.999 > 1 27 O 0.18840408946556 0.67928591968348 0.57766803415629 15.999 > 1 28 O 0.68840408946556 0.67928591968348 0.57766803415629 15.999 > 1 29 O 0.32071408031652 0.00911816978208 0.57766803415629 15.999 > 5 30 O 0.82071408031652 0.00911816978208 0.57766803415629 15.999 > 5 31 O 0.32071408031652 0.50911816978209 0.57766803415629 15.999 > 5 32 O 0.82071408031652 0.50911816978209 0.57766803415629 15.999 > 5 33 O 0.49088183021791 0.31159591053444 0.57766803415629 15.999 > 9 34 O 0.99088183021791 0.31159591053444 0.57766803415629 15.999 > 9 35 O 0.49088183021791 0.81159591053444 0.57766803415629 15.999 > 9 36 O 0.99088183021791 0.81159591053444 0.57766803415629 15.999 > 9 37 O 0.31159591053444 0.32071408031652 0.42233196584371 15.999 > 13 38 O 0.81159591053444 0.32071408031652 0.42233196584371 15.999 > 13 39 O 0.31159591053444 0.82071408031652 0.42233196584371 15.999 > 13 40 O 0.81159591053444 0.82071408031652 0.42233196584371 15.999 > 13 41 O 0.00911816978208 0.18840408946556 0.42233196584371 15.999 > 17 42 O 0.50911816978209 0.18840408946556 0.42233196584371 15.999 > 17 43 O 0.00911816978208 0.68840408946556 0.42233196584371 15.999 > 17 44 O 0.50911816978209 0.68840408946556 0.42233196584371 15.999 > 17 45 O 0.17928591968348 0.49088183021791 0.42233196584371 15.999 > 21 46 O 0.67928591968348 0.49088183021791 0.42233196584371 15.999 > 21 47 O 0.17928591968348 0.99088183021791 0.42233196584371 15.999 > 21 48 O 0.67928591968348 0.99088183021791 0.42233196584371 15.999 > 21 49 O 0.02173742279890 0.34595258635014 0.91100136748962 15.999 > 1 50 O 0.52173742279890 0.34595258635014 0.91100136748962 15.999 > 1 51 O 0.02173742279890 0.84595258635014 0.91100136748962 15.999 > 1 52 O 0.52173742279890 0.84595258635014 0.91100136748962 15.999 > 1 53 O 0.15404741364985 0.17578483644875 0.91100136748962 15.999 > 5 54 O 0.65404741364985 0.17578483644875 0.91100136748962 15.999 > 5 55 O 0.15404741364985 0.67578483644875 0.91100136748962 15.999 > 5 56 O 0.65404741364985 0.67578483644875 0.91100136748962 15.999 > 5 57 O 0.32421516355125 0.47826257720110 0.91100136748962 15.999 > 9 58 O 0.82421516355125 0.47826257720110 0.91100136748962 15.999 > 9 59 O 0.32421516355125 0.97826257720110 0.91100136748962 15.999 > 9 60 O 0.82421516355125 0.97826257720110 0.91100136748962 15.999 > 9 61 O 0.14492924386777 0.48738074698319 0.75566529917704 15.999 > 13 62 O 0.64492924386777 0.48738074698319 0.75566529917704 15.999 > 13 63 O 0.14492924386777 0.98738074698319 0.75566529917704 15.999 > 13 64 O 0.64492924386777 0.98738074698319 0.75566529917704 15.999 > 13 65 O 0.34245150311542 0.35507075613223 0.75566529917704 15.999 > 17 66 O 0.84245150311542 0.35507075613223 0.75566529917704 15.999 > 17 67 O 0.34245150311542 0.85507075613223 0.75566529917704 15.999 > 17 68 O 0.84245150311542 0.85507075613223 0.75566529917704 15.999 > 17 69 O 0.01261925301681 0.15754849688458 0.75566529917704 15.999 > 21 70 O 0.51261925301681 0.15754849688458 0.75566529917704 15.999 > 21 71 O 0.01261925301681 0.65754849688458 0.75566529917704 15.999 > 21 72 O 0.51261925301681 0.65754849688458 0.75566529917704 15.999 > 21 73 Mg 0.16666666666667 0.33333333333333 0.30776827821334 24.305 > 73 74 Mg 0.66666666666667 0.33333333333333 0.30776827821334 24.305 > 73 75 Mg 0.16666666666667 0.83333333333333 0.30776827821334 24.305 > 73 76 Mg 0.66666666666667 0.83333333333333 0.30776827821334 24.305 > 73 77 Mg 0.16666666666667 0.33333333333333 0.02556505511999 24.305 > 77 78 Mg 0.66666666666667 0.33333333333333 0.02556505511999 24.305 > 77 79 Mg 0.16666666666667 0.83333333333333 0.02556505511999 24.305 > 77 80 Mg 0.66666666666667 0.83333333333333 0.02556505511999 24.305 > 77 81 Mg 0.00000000000000 0.00000000000000 0.64110161154667 24.305 > 73 82 Mg 0.50000000000000 0.00000000000000 0.64110161154667 24.305 > 73 83 Mg 0.00000000000000 0.50000000000000 0.64110161154667 24.305 > 73 84 Mg 0.50000000000000 0.50000000000000 0.64110161154667 24.305 > 73 85 Mg 0.00000000000000 0.00000000000000 0.35889838845333 24.305 > 77 86 Mg 0.50000000000000 0.00000000000000 0.35889838845333 24.305 > 77 87 Mg 0.00000000000000 0.50000000000000 0.35889838845333 24.305 > 77 88 Mg 0.50000000000000 0.50000000000000 0.35889838845333 24.305 > 77 89 Mg 0.33333333333333 0.16666666666667 0.97443494488001 24.305 > 73 90 Mg 0.83333333333333 0.16666666666667 0.97443494488001 24.305 > 73 91 Mg 0.33333333333333 0.66666666666667 0.97443494488001 24.305 > 73 92 Mg 0.83333333333333 0.66666666666667 0.97443494488001 24.305 > 73 93 Mg 0.33333333333333 0.16666666666667 0.69223172178666 24.305 > 77 94 Mg 0.83333333333333 0.16666666666667 0.69223172178666 24.305 > 77 95 Mg 0.33333333333333 0.66666666666667 0.69223172178666 24.305 > 77 96 Mg 0.83333333333333 0.66666666666667 0.69223172178666 24.305 > 77 97 Ge 0.33333333333333 0.16666666666667 0.17990808399597 72.640 > 97 98 Ge 0.83333333333333 0.16666666666667 0.17990808399597 72.640 > 97 99 Ge 0.33333333333333 0.66666666666667 0.17990808399597 72.640 > 97 100 Ge 0.83333333333333 0.66666666666667 0.17990808399597 72.640 > 97 101 Ge 0.00000000000000 0.00000000000000 0.15342524933736 72.640 > 101 102 Ge 0.50000000000000 0.00000000000000 0.15342524933736 72.640 > 101 103 Ge 0.00000000000000 0.50000000000000 0.15342524933736 72.640 > 101 104 Ge 0.50000000000000 0.50000000000000 0.15342524933736 72.640 > 101 105 Ge 0.16666666666667 0.33333333333333 0.51324141732930 72.640 > 97 106 Ge 0.66666666666667 0.33333333333333 0.51324141732930 72.640 > 97 107 Ge 0.16666666666667 0.83333333333333 0.51324141732930 72.640 > 97 108 Ge 0.66666666666667 0.83333333333333 0.51324141732930 72.640 > 97 109 Ge 0.33333333333333 0.16666666666667 0.48675858267069 72.640 > 101 110 Ge 0.83333333333333 0.16666666666667 0.48675858267069 72.640 > 101 111 Ge 0.33333333333333 0.66666666666667 0.48675858267069 72.640 > 101 112 Ge 0.83333333333333 0.66666666666667 0.48675858267069 72.640 > 101 113 Ge 0.00000000000000 0.00000000000000 0.84657475066264 72.640 > 97 114 Ge 0.50000000000000 0.00000000000000 0.84657475066264 72.640 > 97 115 Ge 0.00000000000000 0.50000000000000 0.84657475066264 72.640 > 97 116 Ge 0.50000000000000 0.50000000000000 0.84657475066264 72.640 > 97 117 Ge 0.16666666666667 0.33333333333333 0.82009191600403 72.640 > 101 118 Ge 0.66666666666667 0.33333333333333 0.82009191600403 72.640 > 101 119 Ge 0.16666666666667 0.83333333333333 0.82009191600403 72.640 > 101 120 Ge 0.66666666666667 0.83333333333333 0.82009191600403 72.640 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7529015 0.0000021 0.0000000 -0.0000021 3.7529015 0.0000000 0.0000000 0.0000000 3.4201586 -------------------------- Born effective charges -------------------------- 1 O -2.2263720 0.2394813 0.0609408 0.2747350 -1.8603271 0.2178639 0.0478404 0.3450777 -1.8215178 2 O -1.7291761 0.0123211 -0.2191461 0.0475749 -2.3575229 -0.0561556 -0.3227662 -0.1311078 -1.8215178 3 O -2.1745005 -0.3046830 0.1582052 -0.2694293 -1.9121986 -0.1617083 0.2749258 -0.2139699 -1.8215178 4 O -2.2263720 0.2394813 0.0609408 0.2747350 -1.8603271 0.2178639 0.0478404 0.3450777 -1.8215178 5 O -2.1745005 -0.3046830 0.1582052 -0.2694293 -1.9121986 -0.1617083 0.2749258 -0.2139699 -1.8215178 6 O -1.7291761 0.0123211 -0.2191461 0.0475749 -2.3575229 -0.0561556 -0.3227662 -0.1311078 -1.8215178 7 Mg 2.0722717 0.0620512 -0.0000000 -0.0620512 2.0722717 -0.0000000 0.0000000 0.0000000 2.4454753 8 Mg 2.0722717 0.0620512 -0.0000000 -0.0620512 2.0722717 -0.0000000 0.0000000 0.0000000 2.4454753 9 Ge 4.0577769 -0.0091706 -0.0000000 0.0091706 4.0577769 -0.0000000 0.0000000 0.0000000 3.0190782 10 Ge 4.0577769 -0.0091706 -0.0000000 0.0091706 4.0577769 -0.0000000 0.0000000 0.0000000 3.0190782 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.90, Number of G-points: 297, Lambda: 0.18 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 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 5.887 ( 0.000 0.000 0.000) 0.000 8.464 ( 0.000 0.000 0.000) 0.000 8.464 ( 0.000 0.000 0.000) 0.000 8.948 ( 0.000 0.000 0.000) 0.000 8.962 ( 0.000 0.000 0.000) 0.000 9.070 ( 0.000 0.000 0.000) 0.000 9.070 ( 0.000 0.000 0.000) 0.000 9.488 ( 0.000 0.000 0.000) 0.000 9.488 ( 0.000 0.000 0.000) 0.000 10.679 ( 0.000 0.000 0.000) 0.000 10.679 ( 0.000 0.000 0.000) 0.000 11.046 ( 0.000 0.000 0.000) 0.000 11.046 ( 0.000 0.000 0.000) 0.000 12.885 ( 0.000 0.000 0.000) 0.000 12.970 ( 0.000 0.000 0.000) 0.000 13.735 ( 0.000 0.000 0.000) 0.000 13.735 ( 0.000 0.000 0.000) 0.000 14.772 ( 0.000 0.000 0.000) 0.000 14.772 ( 0.000 0.000 0.000) 0.000 15.442 ( 0.000 0.000 0.000) 0.000 16.970 ( 0.000 0.000 0.000) 0.000 16.970 ( 0.000 0.000 0.000) 0.000 17.452 ( 0.000 0.000 0.000) 0.000 19.244 ( 0.000 0.000 0.000) 0.000 20.502 ( 0.000 0.000 0.000) 0.000 20.530 ( 0.000 0.000 0.000) 0.000 20.530 ( 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 31.662 16.266 22.648) 42.190 0.936 ( 33.674 35.175 3.483) 48.820 1.703 ( 73.093 34.628 19.001) 83.083 5.833 ( -4.540 -2.592 -0.514) 5.253 8.125 ( -22.376 -5.375 -14.534) 27.218 8.295 ( -7.887 -15.079 -1.565) 17.089 8.804 ( -11.198 -8.228 1.222) 13.950 8.985 ( -7.712 -2.502 2.786) 8.574 9.121 ( -1.075 -2.793 7.939) 8.484 9.245 ( 1.451 8.256 20.154) 21.828 9.580 ( 9.170 0.301 3.001) 9.653 9.682 ( 11.727 8.170 9.279) 17.041 10.681 ( 4.024 -1.062 -7.583) 8.650 10.999 ( -6.226 2.935 -0.775) 6.927 11.190 ( 10.187 5.502 6.282) 13.172 12.409 ( 7.768 0.185 -9.052) 11.930 12.799 ( -7.262 -3.279 -5.978) 9.961 12.890 ( -7.061 -3.564 7.885) 11.169 13.756 ( 2.624 -2.553 3.319) 4.941 13.893 ( 10.374 9.492 -1.007) 14.098 14.776 ( 1.086 1.449 -4.020) 4.409 15.373 ( 2.645 1.030 -14.836) 15.105 16.648 ( -13.533 -7.193 8.517) 17.534 16.975 ( 0.628 -0.427 0.830) 1.125 17.546 ( 6.531 3.843 0.278) 7.583 19.185 ( 1.965 2.005 -15.169) 15.426 20.479 ( -3.303 0.111 -0.199) 3.311 20.519 ( -0.873 1.290 -0.479) 1.630 20.529 ( -0.027 -0.322 0.472) 0.572 21.784 ( 1.235 -2.553 -3.644) 4.618 ======================= Grid point 2 (3/294) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 31.402 15.628 21.054) 40.909 1.844 ( 31.928 33.843 3.127) 46.632 3.323 ( 67.394 32.126 16.433) 76.447 5.691 ( -7.461 -4.045 -0.592) 8.508 7.615 ( -20.099 -5.477 -13.356) 24.746 7.964 ( -10.663 -18.161 -0.211) 21.061 8.495 ( -16.341 -9.098 -2.890) 18.924 8.774 ( -9.190 -6.149 -2.670) 11.375 9.081 ( -2.888 -5.614 5.099) 8.115 9.427 ( -3.026 13.585 8.805) 16.469 9.784 ( 7.776 2.669 8.071) 11.521 10.024 ( 13.737 1.158 11.485) 17.943 10.698 ( 6.797 -7.247 -6.226) 11.726 10.938 ( -8.660 14.453 0.040) 16.849 11.501 ( 14.888 5.000 3.027) 15.994 12.460 ( 3.407 -5.550 -3.591) 7.436 12.577 ( -8.690 -3.212 -6.489) 11.311 12.841 ( -0.223 1.099 4.601) 4.736 13.800 ( 4.853 -6.889 4.189) 9.410 14.162 ( 5.953 14.899 0.951) 16.073 14.783 ( 1.977 1.975 -8.282) 8.741 15.350 ( 3.158 -0.526 -6.612) 7.346 16.378 ( -14.762 -7.664 9.074) 18.947 16.991 ( 1.100 -0.737 1.477) 1.983 17.687 ( 4.857 2.970 1.460) 5.878 19.113 ( -2.674 0.651 -12.043) 12.353 20.415 ( -4.057 2.067 -1.113) 4.687 20.519 ( -0.764 0.838 0.976) 1.496 20.531 ( 0.279 -0.366 0.650) 0.797 21.734 ( -0.370 -5.524 -2.932) 6.265 ======================= Grid point 3 (4/294) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 30.637 14.546 18.614) 38.687 2.689 ( 28.614 31.170 2.531) 42.389 4.704 ( 49.444 24.154 10.105) 55.948 5.542 ( -3.870 -1.497 0.466) 4.175 7.240 ( -9.436 -2.820 -9.149) 13.442 7.588 ( -15.086 -16.846 2.477) 22.749 8.038 ( -18.364 -15.408 -7.002) 24.974 8.594 ( -4.914 -4.106 -0.740) 6.447 8.994 ( -3.008 -5.556 1.181) 6.427 9.512 ( -7.098 11.896 6.275) 15.207 9.958 ( 1.816 5.264 9.358) 10.890 10.276 ( 9.747 -3.469 10.803) 14.958 10.681 ( 4.539 -9.736 -0.182) 10.744 11.017 ( -2.468 19.038 -1.320) 19.242 11.740 ( 10.068 -0.674 -4.690) 11.127 12.336 ( -5.745 -6.910 -5.931) 10.767 12.421 ( -2.378 -3.614 -3.669) 5.673 12.959 ( 5.463 5.777 2.656) 8.382 13.832 ( 6.948 -10.380 3.012) 12.849 14.354 ( -4.351 16.469 5.705) 17.964 14.771 ( 1.428 1.351 -11.296) 11.466 15.436 ( 11.104 1.183 -2.699) 11.488 16.154 ( -10.795 -4.793 10.028) 15.494 17.011 ( 1.215 -1.410 1.840) 2.617 17.769 ( 0.943 0.596 3.227) 3.415 18.957 ( -6.956 -0.233 -13.123) 14.854 20.395 ( -0.952 4.224 -0.194) 4.334 20.521 ( -0.450 0.527 1.204) 1.389 20.538 ( 0.362 -0.387 0.951) 1.088 21.623 ( -2.977 -7.734 -3.533) 9.009 ======================= Grid point 4 (5/294) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 28.540 13.022 15.149) 34.837 3.422 ( 23.416 26.111 2.157) 35.139 5.165 ( -4.978 -0.828 -0.050) 5.046 5.796 ( 17.540 10.921 0.218) 20.663 7.087 ( -12.449 -15.785 -3.238) 20.362 7.284 ( 0.382 2.909 -0.839) 3.051 7.622 ( -2.355 -12.679 -0.383) 12.902 8.509 ( -2.512 -1.805 1.539) 3.455 8.897 ( -2.281 -4.171 -2.028) 5.168 9.495 ( -10.036 7.356 5.024) 13.419 10.075 ( -0.551 4.942 11.745) 12.754 10.425 ( 2.543 2.435 7.925) 8.672 10.688 ( 6.729 -11.613 4.216) 14.069 11.143 ( 0.235 12.200 -4.337) 12.950 11.787 ( 3.206 -1.131 -7.946) 8.643 12.092 ( -10.663 -6.871 -9.438) 15.811 12.353 ( 0.568 -4.418 -1.633) 4.744 13.102 ( 4.494 3.932 -1.469) 6.150 13.893 ( 8.592 -9.014 4.672) 13.300 14.400 ( -10.063 11.517 6.003) 16.430 14.735 ( 0.331 2.195 -8.109) 8.407 15.701 ( 17.458 3.815 -1.723) 17.953 16.056 ( -5.532 0.444 9.583) 11.074 17.021 ( 0.911 -2.655 1.357) 3.118 17.771 ( -2.830 -1.684 5.073) 6.048 18.735 ( -8.607 -0.549 -13.403) 15.938 20.461 ( 1.418 6.756 0.860) 6.956 20.534 ( 1.303 0.647 0.367) 1.500 20.545 ( 0.448 -1.326 1.961) 2.409 21.445 ( -5.588 -8.941 -4.187) 11.345 ======================= Grid point 5 (6/294) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.789 ( 20.093 10.826 7.863) 24.140 4.006 ( 19.887 16.791 5.275) 26.557 4.941 ( -15.270 -4.815 -4.371) 16.597 6.013 ( 3.844 2.576 0.751) 4.688 6.690 ( -11.917 -4.888 -4.689) 13.707 7.052 ( -10.226 -16.544 -3.685) 19.795 8.015 ( 27.026 10.119 5.618) 29.400 8.481 ( -0.922 -0.449 1.132) 1.528 8.821 ( -1.138 -2.231 -2.707) 3.688 9.389 ( -10.704 2.457 4.043) 11.703 10.197 ( 0.068 4.449 14.383) 15.055 10.529 ( 0.920 4.421 5.282) 6.949 10.706 ( 5.918 -8.823 -0.343) 10.630 11.202 ( 1.861 3.513 -5.379) 6.689 11.692 ( -17.474 0.419 -6.590) 18.680 11.823 ( 2.793 -5.840 -6.830) 9.410 12.338 ( 2.458 -2.542 -1.224) 3.742 13.166 ( 2.373 0.814 -3.043) 3.944 13.963 ( 3.705 -5.707 5.086) 8.495 14.355 ( -6.156 5.459 1.170) 8.310 14.743 ( 0.591 3.065 -1.650) 3.531 15.953 ( 8.280 -1.900 -2.274) 8.794 16.126 ( 3.887 8.902 7.329) 12.168 17.001 ( -0.160 -3.651 0.032) 3.655 17.720 ( -3.876 -2.079 4.901) 6.585 18.530 ( -5.945 -0.348 -9.537) 11.243 20.516 ( -0.711 2.658 0.472) 2.791 20.549 ( 0.168 -0.102 0.004) 0.197 20.638 ( 6.060 4.082 3.035) 7.912 21.227 ( -6.636 -8.277 -4.053) 11.357 ======================= Grid point 6 (7/294) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.044 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.551 ( -0.000 -0.000 -0.000) 0.000 6.043 ( 0.000 0.000 0.000) 0.000 6.616 ( 0.000 0.000 0.000) 0.000 6.799 ( 0.000 0.000 0.000) 0.000 8.368 ( 0.000 0.000 0.000) 0.000 8.469 ( 0.000 0.000 -0.000) 0.000 8.791 ( 0.000 0.000 0.000) 0.000 9.298 ( 0.000 -0.000 0.000) 0.000 10.284 ( 0.000 0.000 0.000) 0.000 10.569 ( 0.000 0.000 0.000) 0.000 10.731 ( 0.000 0.000 0.000) 0.000 11.225 ( 0.000 0.000 0.000) 0.000 11.447 ( -0.000 0.000 0.000) 0.000 11.819 ( 0.000 0.000 0.000) 0.000 12.348 ( 0.000 0.000 0.000) 0.000 13.177 ( 0.000 0.000 0.000) 0.000 13.976 ( 0.000 0.000 0.000) 0.000 14.334 ( 0.000 -0.000 0.000) 0.000 14.764 ( 0.000 0.000 0.000) 0.000 15.988 ( 0.000 0.000 -0.000) 0.000 16.265 ( 0.000 0.000 0.000) 0.000 16.971 ( 0.000 0.000 -0.000) 0.000 17.687 ( 0.000 0.000 -0.000) 0.000 18.445 ( 0.000 0.000 0.000) 0.000 20.523 ( 0.000 0.000 -0.000) 0.000 20.549 ( 0.000 -0.000 0.000) 0.000 20.754 ( 0.000 0.000 0.000) 0.000 21.083 ( 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 4.328 42.290 20.228) 47.078 1.085 ( 16.396 33.588 33.982) 50.515 1.768 ( -12.522 71.967 28.100) 78.267 5.830 ( 0.070 -5.204 -0.660) 5.246 7.994 ( 4.955 -21.146 -20.955) 30.180 8.285 ( -8.761 -9.516 -9.965) 16.328 8.822 ( -3.717 -9.342 -4.316) 10.941 9.056 ( 3.969 -7.657 9.609) 12.912 9.201 ( 7.325 -11.931 20.503) 24.827 9.265 ( -1.416 -8.193 13.700) 16.025 9.573 ( -4.949 6.843 2.043) 8.689 9.839 ( 1.343 11.902 25.394) 28.077 10.794 ( -9.559 7.484 3.440) 12.618 10.979 ( 10.069 -6.982 -0.271) 12.256 11.102 ( 3.602 10.694 -4.137) 12.019 12.336 ( -6.174 12.883 -12.840) 19.209 12.770 ( 0.520 -5.295 -7.095) 8.869 12.919 ( 0.376 -11.725 7.398) 13.868 13.705 ( -0.661 -1.814 -1.781) 2.626 13.890 ( 0.019 12.891 -1.233) 12.950 14.839 ( 2.084 5.305 2.601) 6.265 15.274 ( -1.045 12.519 -20.757) 24.263 16.680 ( 0.929 -18.863 9.352) 21.074 17.006 ( -1.284 1.095 4.333) 4.650 17.546 ( 0.131 7.753 0.252) 7.758 19.097 ( 1.276 10.114 -18.861) 21.440 20.449 ( 5.166 -5.191 -4.197) 8.441 20.503 ( -0.636 -1.030 1.481) 1.913 20.528 ( 0.039 0.443 -0.689) 0.820 21.764 ( -4.299 1.519 -4.272) 6.248 ======================= Grid point 15 (9/294) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 11.337 30.574 31.518) 45.351 1.904 ( 15.703 39.775 20.234) 47.308 2.891 ( 41.706 58.215 19.643) 74.258 5.735 ( -3.868 -6.396 -0.318) 7.482 7.666 ( -4.868 -18.159 -22.075) 28.996 7.898 ( -13.219 -14.212 -5.617) 20.205 8.609 ( -7.511 -7.261 -4.294) 11.295 8.922 ( -15.082 -8.805 1.394) 17.520 9.169 ( -7.760 -3.064 6.696) 10.698 9.367 ( 14.265 -19.379 20.823) 31.822 9.715 ( 8.312 10.165 -0.680) 13.148 10.136 ( 1.525 13.863 20.676) 24.940 10.631 ( -8.081 3.987 -3.893) 9.817 11.136 ( 8.912 0.828 -3.116) 9.477 11.321 ( 4.583 9.721 7.566) 13.143 12.334 ( 3.466 2.607 -11.242) 12.050 12.629 ( -6.728 -3.681 -6.044) 9.764 12.850 ( 0.755 -6.066 5.181) 8.013 13.673 ( 1.415 -4.588 -1.485) 5.026 14.137 ( 12.435 12.453 -1.391) 17.653 14.881 ( -6.525 9.866 2.351) 12.059 15.272 ( 1.251 5.427 -11.983) 13.214 16.502 ( -6.298 -17.674 10.583) 21.541 17.014 ( -1.847 1.576 4.029) 4.704 17.666 ( 3.750 6.410 1.631) 7.604 19.088 ( -0.586 4.176 -13.201) 13.858 20.460 ( 0.844 -1.830 -3.422) 3.971 20.492 ( 2.225 -3.292 0.779) 4.050 20.532 ( 0.001 0.242 0.226) 0.332 21.667 ( -2.668 -2.844 -5.175) 6.480 ======================= Grid point 16 (10/294) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 15.537 25.594 29.193) 41.817 2.668 ( 18.989 37.262 11.525) 43.381 4.259 ( 46.355 42.193 14.217) 64.274 5.599 ( -4.939 -4.678 0.965) 6.871 7.272 ( -7.920 -12.837 -16.818) 22.591 7.549 ( -7.956 -15.606 -3.643) 17.891 8.274 ( -22.967 -10.265 -3.233) 25.363 8.619 ( -6.030 -6.427 -1.973) 9.031 9.026 ( -7.084 -5.914 2.555) 9.576 9.519 ( 11.400 -16.213 12.948) 23.674 9.955 ( 8.768 5.757 3.654) 11.107 10.368 ( -4.471 15.391 15.063) 21.995 10.569 ( 0.934 -1.308 -1.268) 2.048 11.262 ( 1.999 9.487 -2.246) 9.952 11.480 ( 5.235 -1.609 2.052) 5.849 12.306 ( 0.631 -3.101 -8.290) 8.874 12.444 ( -6.961 -0.268 -7.077) 9.930 12.940 ( 6.185 3.725 4.258) 8.382 13.637 ( 3.308 -8.461 -1.309) 9.178 14.451 ( 12.061 9.581 -2.621) 15.625 14.847 ( -10.104 8.747 2.306) 13.562 15.309 ( 4.456 6.599 -6.352) 10.186 16.305 ( -7.337 -12.474 13.498) 19.790 17.024 ( -1.344 1.096 3.378) 3.798 17.783 ( 2.026 3.334 3.928) 5.536 18.987 ( -5.154 1.398 -13.199) 14.238 20.433 ( -0.607 0.848 -0.939) 1.403 20.506 ( 2.813 -3.135 -0.971) 4.322 20.536 ( -0.082 0.016 1.018) 1.021 21.551 ( -2.039 -6.438 -6.002) 9.035 ======================= Grid point 17 (11/294) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 17.877 21.714 24.034) 36.997 3.378 ( 18.555 31.579 6.347) 37.173 5.178 ( 11.309 10.741 5.371) 16.496 5.622 ( 12.730 9.961 2.154) 16.307 6.988 ( -1.879 -15.187 -8.641) 17.574 7.300 ( -4.933 -7.223 -4.121) 9.668 7.745 ( -20.455 -7.350 -0.365) 21.738 8.531 ( -0.899 -1.649 -0.413) 1.923 8.858 ( -4.260 -8.638 -2.366) 9.917 9.587 ( 5.246 -11.425 7.708) 14.746 10.136 ( 4.422 1.003 8.423) 9.566 10.466 ( -2.408 5.389 7.038) 9.186 10.622 ( 1.371 3.670 5.413) 6.682 11.323 ( -7.585 11.262 -1.685) 13.682 11.513 ( 11.023 -10.955 -7.143) 17.104 12.194 ( -8.073 -0.774 -3.652) 8.895 12.340 ( -1.895 2.540 -6.763) 7.468 13.074 ( 2.518 3.982 -2.527) 5.347 13.654 ( 9.711 -8.526 1.842) 13.053 14.653 ( 6.123 5.033 -7.384) 10.833 14.746 ( -12.387 6.519 5.771) 15.141 15.498 ( 11.245 8.619 -1.758) 14.277 16.207 ( -4.601 -4.376 15.971) 17.187 17.022 ( -1.631 -0.290 2.266) 2.807 17.839 ( -1.518 0.784 6.539) 6.758 18.793 ( -8.261 0.351 -14.658) 16.829 20.466 ( 2.871 1.779 1.824) 3.839 20.511 ( 2.101 -2.682 -1.833) 3.868 20.543 ( 0.015 0.924 0.194) 0.944 21.397 ( -3.431 -8.267 -6.245) 10.914 ======================= Grid point 18 (12/294) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.689 ( 17.014 18.362 17.375) 30.472 3.953 ( 13.865 23.422 3.725) 27.471 5.132 ( -12.629 -2.695 0.658) 12.930 5.930 ( 7.974 1.617 0.452) 8.149 6.730 ( -5.048 -13.660 -4.097) 15.129 7.018 ( -11.096 -16.634 -5.638) 20.775 7.829 ( 16.249 20.993 3.629) 26.793 8.517 ( -1.537 0.937 1.280) 2.208 8.705 ( 1.440 -11.014 -6.638) 12.940 9.563 ( -2.929 -6.826 6.769) 10.049 10.259 ( 4.239 -1.555 11.421) 12.281 10.502 ( 1.984 -7.223 10.040) 12.526 10.704 ( -2.945 11.270 -0.853) 11.680 11.216 ( -6.877 3.409 -9.612) 12.301 11.584 ( 10.989 -8.884 -4.338) 14.782 11.960 ( -16.004 0.942 -3.831) 16.483 12.335 ( -0.223 5.438 -1.708) 5.705 13.100 ( 2.816 1.031 -6.726) 7.364 13.785 ( 10.516 -7.037 3.774) 13.204 14.578 ( -10.122 4.979 -4.244) 12.052 14.757 ( -0.260 3.736 2.003) 4.247 15.759 ( 11.258 2.659 0.830) 11.598 16.267 ( -0.688 5.564 15.505) 16.488 16.986 ( -2.009 -2.592 0.814) 3.379 17.829 ( -5.102 0.108 7.446) 9.027 18.573 ( -7.176 0.695 -13.455) 15.265 20.501 ( 1.727 -3.910 -1.232) 4.449 20.541 ( 1.030 -3.399 5.932) 6.914 20.598 ( 5.289 8.344 -4.612) 10.903 21.210 ( -4.685 -8.001 -5.352) 10.705 ======================= Grid point 19 (13/294) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.112 ( 1.872 13.405 4.194) 14.170 4.369 ( 13.988 11.202 8.821) 19.974 4.785 ( -21.662 -5.783 -3.283) 22.660 5.977 ( 3.605 -7.238 1.271) 8.185 6.638 ( -6.175 -5.852 -0.869) 8.552 6.716 ( 6.093 -4.789 0.563) 7.770 8.322 ( 12.817 17.942 -6.602) 23.017 8.484 ( -0.903 -0.962 -1.051) 1.687 8.641 ( 5.896 -9.269 -3.509) 11.532 9.444 ( -9.633 -3.410 6.887) 12.322 10.276 ( -4.850 -13.086 11.673) 18.195 10.615 ( 8.384 -1.709 -2.118) 8.815 10.698 ( -5.092 13.028 -3.092) 14.326 11.112 ( 2.474 -3.812 -6.147) 7.644 11.559 ( -5.161 -1.057 -3.312) 6.222 11.796 ( -0.700 -0.983 4.383) 4.546 12.404 ( -0.168 8.512 0.757) 8.547 13.131 ( 4.058 0.974 -4.998) 6.511 13.874 ( 6.058 -6.923 1.506) 9.322 14.450 ( -8.280 6.603 -4.040) 11.335 14.768 ( -1.307 -0.462 0.265) 1.412 15.905 ( 5.521 -3.307 3.453) 7.303 16.399 ( -4.304 6.704 9.946) 12.743 16.946 ( 1.326 -1.964 0.767) 2.491 17.766 ( -6.620 1.866 2.534) 7.330 18.447 ( -1.372 1.577 -5.283) 5.682 20.477 ( 1.805 -5.326 -1.870) 5.926 20.550 ( 0.041 -1.806 3.457) 3.901 20.733 ( 3.310 4.334 -4.758) 7.237 21.069 ( -0.410 -2.400 -1.239) 2.732 ======================= Grid point 20 (14/294) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.033 ( -17.823 0.591 -1.085) 17.866 4.236 ( -26.445 -11.143 -5.873) 29.292 4.788 ( 13.608 7.053 8.825) 17.687 5.987 ( 2.066 -4.778 -1.606) 5.448 6.523 ( 8.715 -6.943 4.506) 12.019 7.024 ( 13.825 14.679 5.519) 20.906 8.301 ( -10.753 -1.668 -12.222) 16.364 8.538 ( -7.468 4.743 2.104) 9.093 8.668 ( 11.833 -6.017 -6.117) 14.617 9.309 ( -5.613 -1.210 4.094) 7.052 10.071 ( -4.351 -11.358 -6.173) 13.640 10.467 ( -2.278 -7.166 -10.167) 12.645 10.892 ( -1.732 13.437 3.008) 13.878 11.164 ( 6.680 -5.555 2.695) 9.097 11.542 ( 4.200 3.879 3.835) 6.884 11.862 ( 4.441 -0.252 6.821) 8.143 12.475 ( -3.410 9.818 2.259) 10.636 13.184 ( 2.029 1.334 -0.885) 2.584 13.887 ( 4.885 -5.969 -4.437) 8.898 14.377 ( -6.240 6.223 -2.308) 9.110 14.719 ( -0.861 -3.729 -0.586) 3.872 15.945 ( 2.146 -4.773 2.622) 5.854 16.290 ( -15.231 -1.918 4.860) 16.102 17.017 ( 3.235 3.484 0.823) 4.825 17.706 ( -2.407 3.594 -3.207) 5.384 18.498 ( 4.611 2.407 5.210) 7.362 20.435 ( 1.971 -7.438 -2.234) 8.013 20.550 ( -0.296 -2.137 3.463) 4.080 20.681 ( -4.634 -0.016 -6.554) 8.027 21.186 ( 8.616 6.201 1.748) 10.758 ======================= Grid point 21 (15/294) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.551 ( -33.262 -5.223 -8.299) 34.678 3.638 ( -26.447 -14.517 1.351) 30.200 5.069 ( 9.012 3.101 3.847) 10.277 5.901 ( -5.024 -8.665 1.923) 10.199 6.835 ( 23.392 4.629 -0.411) 23.849 7.407 ( 2.372 11.609 10.607) 15.903 7.852 ( -21.243 2.792 -9.863) 23.587 8.491 ( -0.274 2.754 -2.348) 3.629 8.773 ( 11.319 -5.746 -5.867) 13.985 9.276 ( 2.041 -5.059 -0.116) 5.457 9.905 ( 2.547 -7.962 -11.944) 14.579 10.377 ( 1.435 -2.770 -1.551) 3.484 10.903 ( -7.222 7.297 -4.036) 11.032 11.146 ( -5.129 -2.907 3.373) 6.793 11.734 ( 8.781 -2.602 7.482) 11.826 12.052 ( 9.861 5.075 7.399) 13.332 12.507 ( -5.951 10.562 1.990) 12.285 13.167 ( -4.859 -1.098 0.741) 5.037 13.886 ( 6.450 -5.445 -10.177) 13.222 14.314 ( -6.707 4.359 1.438) 8.127 14.708 ( 3.580 -2.967 1.967) 5.049 15.910 ( -3.260 -4.904 -4.934) 7.682 16.013 ( -13.291 -3.082 7.453) 15.547 17.069 ( -1.187 4.276 -2.127) 4.921 17.722 ( 2.141 2.818 -3.301) 4.839 18.685 ( 7.907 3.038 10.736) 13.676 20.373 ( 1.629 -8.783 -1.562) 9.068 20.537 ( -0.967 -3.679 4.264) 5.714 20.583 ( -3.368 3.447 -6.426) 8.033 21.415 ( 9.000 6.957 0.790) 11.403 ======================= Grid point 22 (16/294) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( -36.005 -10.664 -7.604) 38.314 3.016 ( -35.088 -10.345 3.037) 36.707 5.125 ( -14.654 -5.184 -1.333) 15.601 5.583 ( -16.041 -7.316 -0.800) 17.649 7.196 ( 6.115 -0.524 -2.395) 6.588 7.350 ( 12.117 8.289 -0.106) 14.681 8.034 ( 12.162 17.743 7.503) 22.782 8.551 ( 4.475 5.187 -1.950) 7.123 8.865 ( 11.970 -7.978 -6.565) 15.812 9.248 ( 3.433 -9.002 -1.907) 9.821 9.842 ( 2.956 -3.226 -7.874) 9.008 10.399 ( -1.495 4.792 -2.056) 5.425 10.773 ( -4.481 -7.991 -0.853) 9.201 11.034 ( -10.332 6.750 1.288) 12.408 11.811 ( -0.058 -7.407 5.578) 9.273 12.301 ( 8.956 3.274 5.165) 10.845 12.516 ( -4.251 10.130 -1.400) 11.074 13.025 ( -8.835 -2.743 -0.507) 9.265 13.848 ( 3.650 -6.719 -11.581) 13.877 14.279 ( -5.192 4.792 5.658) 9.051 14.787 ( 4.664 -2.134 5.791) 7.736 15.656 ( -14.191 -2.242 0.161) 14.368 15.982 ( 5.259 -1.271 -1.710) 5.674 17.054 ( -2.475 3.197 -3.175) 5.140 17.756 ( 0.902 0.733 -1.727) 2.081 18.923 ( 7.899 3.274 11.381) 14.235 20.319 ( 2.106 -7.218 0.718) 7.553 20.506 ( -0.811 -1.580 0.689) 1.905 20.551 ( -1.153 1.979 -2.635) 3.491 21.611 ( 6.964 5.404 -1.009) 8.872 ======================= Grid point 23 (17/294) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -37.763 -11.639 -3.965) 39.714 2.318 ( -42.399 -3.279 5.473) 42.876 4.177 ( -66.688 -13.817 -9.639) 68.783 5.583 ( 8.206 1.376 0.704) 8.351 7.402 ( 16.725 3.419 7.483) 18.639 7.725 ( 22.452 3.780 -8.950) 24.464 8.418 ( 10.706 10.565 5.305) 15.950 8.726 ( 7.092 9.193 3.668) 12.176 8.935 ( 11.844 -10.862 -6.880) 17.481 9.203 ( 2.651 -6.806 -2.686) 7.782 9.823 ( -2.102 2.683 -2.005) 3.955 10.260 ( -16.424 1.150 -6.741) 17.791 10.682 ( 5.872 -14.105 3.918) 15.773 11.003 ( -8.528 19.031 2.364) 20.988 11.616 ( -11.755 -14.530 0.879) 18.710 12.480 ( 7.626 0.412 2.049) 7.907 12.569 ( 0.752 9.102 -3.187) 9.673 12.847 ( -7.517 -2.221 -1.315) 7.947 13.758 ( 2.004 -7.503 -8.324) 11.384 14.264 ( -8.632 5.876 5.669) 11.882 14.850 ( 0.309 -2.470 6.783) 7.225 15.462 ( -7.235 -0.317 1.085) 7.323 16.125 ( 13.657 1.017 -3.561) 14.151 17.021 ( -2.065 1.640 -2.407) 3.570 17.734 ( -2.878 -0.660 -0.487) 2.993 19.123 ( 4.884 2.495 8.300) 9.948 20.330 ( 4.235 -3.960 3.869) 6.971 20.493 ( 0.266 -0.555 -0.339) 0.703 20.539 ( -0.655 0.875 -1.160) 1.593 21.733 ( 4.343 2.701 -3.232) 6.050 ======================= Grid point 24 (18/294) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -39.200 -5.585 4.351) 39.834 1.623 ( -46.773 5.912 9.149) 48.025 2.787 ( -79.559 -0.798 -7.047) 79.875 5.739 ( 8.043 -0.014 0.154) 8.044 7.833 ( 23.391 0.819 10.245) 25.549 8.033 ( 20.673 -0.708 -15.477) 25.835 8.661 ( 10.660 1.735 -2.679) 11.128 8.931 ( 7.079 -3.003 2.274) 8.018 8.981 ( 6.094 -4.495 5.174) 9.171 9.210 ( 0.534 6.270 -0.339) 6.302 9.773 ( -9.754 6.845 0.377) 11.922 9.874 ( -19.236 -7.996 -1.692) 20.901 10.694 ( 4.005 -3.045 -2.440) 5.591 11.118 ( -5.691 18.994 7.667) 21.259 11.238 ( -12.253 -15.692 -1.364) 19.956 12.499 ( -3.238 -1.151 -5.640) 6.605 12.697 ( 8.408 2.111 0.029) 8.669 12.788 ( 2.598 -0.118 0.317) 2.620 13.702 ( 1.884 -2.633 -2.245) 3.940 14.130 ( -15.472 3.256 2.579) 16.020 14.836 ( -2.612 -1.162 2.080) 3.535 15.411 ( 0.201 -0.265 -1.210) 1.255 16.388 ( 16.913 0.055 0.572) 16.923 16.989 ( -1.332 0.175 -1.279) 1.855 17.647 ( -6.475 -0.058 0.232) 6.480 19.223 ( 1.769 0.325 1.353) 2.250 20.421 ( 4.837 -0.607 5.353) 7.240 20.499 ( 0.827 -0.111 0.841) 1.185 20.531 ( -0.318 0.403 -0.741) 0.901 21.774 ( 2.317 0.061 -5.047) 5.554 ======================= Grid point 26 (19/294) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -13.964 33.959 14.842) 39.604 1.703 ( -12.864 33.416 25.783) 44.123 3.097 ( -40.255 59.434 25.989) 76.344 5.728 ( 4.139 -6.950 -0.834) 8.132 7.559 ( 8.487 -17.348 -18.544) 26.774 8.152 ( 6.494 -9.963 -5.361) 13.045 8.659 ( 11.403 -7.742 -3.198) 14.149 8.901 ( 10.078 -4.184 1.130) 10.970 9.061 ( -2.694 -16.358 11.484) 20.168 9.275 ( 1.283 -4.704 5.726) 7.521 9.781 ( -6.951 3.353 6.522) 10.104 10.162 ( -6.660 12.792 21.928) 26.246 10.708 ( 4.605 -8.002 -0.738) 9.262 10.952 ( 9.688 17.349 -8.758) 21.715 11.303 ( -18.218 2.900 4.945) 19.099 12.498 ( -4.593 2.106 -5.868) 7.744 12.644 ( 6.200 3.296 -4.241) 8.203 12.833 ( 0.844 -7.510 3.978) 8.540 13.757 ( -9.443 -5.407 3.397) 11.399 14.045 ( -3.907 11.192 -6.103) 13.333 14.799 ( 6.966 6.502 -3.044) 10.003 15.332 ( -2.537 7.993 -7.159) 11.025 16.477 ( 6.767 -17.713 8.880) 20.938 17.055 ( 1.123 2.838 5.780) 6.537 17.660 ( -3.692 6.043 1.550) 7.249 19.042 ( 1.837 2.935 -15.076) 15.469 20.302 ( -0.199 -8.285 -6.631) 10.613 20.514 ( -0.372 -1.306 2.678) 3.003 20.531 ( -0.416 0.860 -1.197) 1.531 21.799 ( 0.269 0.739 -2.185) 2.322 ======================= Grid point 27 (20/294) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 10.756 28.786 32.858) 44.989 2.121 ( 7.144 42.105 17.247) 46.058 3.430 ( -10.046 65.935 23.542) 70.729 5.690 ( 0.649 -7.956 -0.097) 7.983 7.352 ( 1.760 -17.627 -20.057) 26.760 7.944 ( -9.651 -12.704 -9.118) 18.376 8.611 ( -3.435 -5.066 -5.329) 8.116 8.931 ( 5.216 -14.163 4.331) 15.702 9.094 ( 5.698 -18.545 15.668) 24.938 9.257 ( -1.521 -4.806 1.891) 5.385 9.746 ( -3.067 6.037 3.735) 7.733 10.294 ( 0.624 3.887 17.115) 17.562 10.760 ( 12.544 -11.753 -4.022) 17.654 11.006 ( -16.323 10.461 5.921) 20.272 11.428 ( 11.845 23.979 -1.264) 26.775 12.315 ( -8.328 -2.569 -10.014) 13.276 12.686 ( -4.261 -0.943 -0.003) 4.365 12.792 ( 1.775 -2.935 2.452) 4.217 13.631 ( -1.931 -2.639 -2.833) 4.326 14.106 ( 3.476 11.125 -1.698) 11.778 14.977 ( 5.225 3.630 -0.859) 6.420 15.340 ( -4.005 13.752 -5.444) 15.323 16.415 ( 1.247 -17.875 9.387) 20.228 17.109 ( -2.379 1.527 7.896) 8.387 17.711 ( 0.415 7.352 2.296) 7.713 19.038 ( 2.242 3.750 -13.355) 14.052 20.245 ( 7.934 -7.935 -7.633) 13.571 20.494 ( -1.420 -1.522 1.036) 2.325 20.535 ( 0.255 0.466 0.298) 0.609 21.713 ( -6.326 -2.264 -3.646) 7.645 ======================= Grid point 28 (21/294) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 7.181 30.160 27.759) 41.614 2.842 ( 14.240 31.312 20.177) 39.879 4.269 ( 19.295 58.127 15.891) 63.274 5.612 ( -1.657 -6.074 1.636) 6.505 7.064 ( -1.696 -16.312 -18.381) 24.633 7.584 ( -11.683 -10.463 -6.695) 17.053 8.460 ( -8.876 -2.418 -4.710) 10.335 8.687 ( -14.283 -14.111 -1.816) 20.159 9.051 ( 0.544 -16.614 0.794) 16.642 9.218 ( 6.435 -16.274 17.407) 24.683 9.873 ( 7.410 4.977 1.816) 9.109 10.458 ( 6.988 -1.367 8.710) 11.250 10.792 ( -2.960 2.339 2.961) 4.796 10.986 ( 3.893 2.661 -0.629) 4.758 11.742 ( -6.045 19.846 4.283) 21.184 12.152 ( 4.209 -2.262 -14.019) 14.811 12.531 ( -7.294 -4.558 -1.008) 8.660 12.891 ( 5.372 4.634 3.669) 7.988 13.557 ( -1.534 -3.881 -3.663) 5.553 14.335 ( 9.788 10.446 0.216) 14.317 14.997 ( -1.044 -3.766 -0.624) 3.957 15.404 ( -4.112 18.650 -3.608) 19.436 16.327 ( -1.345 -11.730 12.241) 17.007 17.114 ( -3.704 0.721 7.864) 8.723 17.820 ( 1.710 5.768 4.442) 7.478 18.986 ( -2.273 1.165 -12.780) 13.033 20.288 ( 10.474 -7.069 -7.943) 14.926 20.460 ( -0.947 -1.981 0.752) 2.322 20.545 ( -0.005 0.440 0.727) 0.850 21.541 ( -6.547 -4.381 -4.668) 9.157 ======================= Grid point 29 (22/294) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( 9.128 25.864 26.262) 37.972 3.461 ( 13.853 28.226 12.541) 33.851 5.155 ( 16.015 29.649 9.342) 34.969 5.591 ( 2.996 4.652 2.255) 5.975 6.785 ( -1.341 -15.208 -12.992) 20.047 7.320 ( -6.756 -3.514 -6.031) 9.714 8.039 ( -23.643 -9.776 -0.790) 25.596 8.501 ( 0.045 -3.730 -0.985) 3.858 8.833 ( -5.289 -13.020 -6.552) 15.505 9.308 ( 11.742 -20.493 15.905) 28.475 10.050 ( 8.528 -0.295 2.488) 8.889 10.565 ( 2.435 -2.623 3.692) 5.141 10.792 ( -5.580 8.672 6.403) 12.139 11.115 ( 11.957 -2.070 -3.863) 12.735 11.648 ( -15.015 5.037 -2.297) 16.003 12.234 ( 3.530 5.934 -3.388) 7.691 12.394 ( -4.912 2.656 -4.390) 7.103 13.042 ( 3.840 2.874 -1.231) 4.952 13.480 ( 2.192 -5.363 -1.245) 5.925 14.579 ( 6.775 9.205 -1.266) 11.499 14.912 ( -2.809 -6.254 2.419) 7.270 15.515 ( -0.233 15.739 -2.113) 15.882 16.317 ( -1.548 -1.752 15.224) 15.403 17.093 ( -4.033 -0.785 6.380) 7.588 17.916 ( -0.194 3.609 7.471) 8.299 18.832 ( -6.473 -0.087 -14.388) 15.777 20.343 ( 8.848 -6.477 -7.269) 13.155 20.448 ( 1.287 -1.549 1.719) 2.648 20.554 ( 0.011 1.162 0.021) 1.162 21.361 ( -5.276 -6.122 -5.268) 9.647 ======================= Grid point 30 (23/294) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.783 ( 10.026 21.431 22.264) 32.488 3.999 ( 12.662 24.397 5.481) 28.029 5.313 ( -8.460 -0.384 5.718) 10.218 5.836 ( 6.280 6.258 0.213) 8.869 6.580 ( 0.649 -12.583 -6.191) 14.039 7.076 ( -14.456 -9.322 -8.181) 19.047 7.861 ( 4.453 14.541 2.381) 15.392 8.473 ( 2.717 -11.495 -2.958) 12.176 8.602 ( -4.328 -3.271 -5.579) 7.782 9.395 ( 11.013 -18.434 11.962) 24.581 10.171 ( 7.347 -5.665 3.372) 9.871 10.557 ( -2.992 -0.523 6.501) 7.175 10.849 ( -1.358 7.872 2.375) 8.334 11.292 ( 12.133 -1.312 -1.432) 12.287 11.395 ( -14.752 2.102 -7.789) 16.814 12.180 ( -11.111 -1.148 0.071) 11.171 12.408 ( -0.852 11.049 -3.182) 11.530 13.019 ( 0.349 -1.474 -9.034) 9.160 13.567 ( 10.406 -4.086 3.054) 11.589 14.688 ( -2.078 7.398 -4.126) 8.722 14.838 ( -2.272 -3.464 4.506) 6.121 15.675 ( 5.260 7.988 1.219) 9.641 16.424 ( -0.131 6.455 16.036) 17.287 17.032 ( -4.863 -3.288 4.043) 7.128 17.968 ( -3.553 2.309 9.838) 10.712 18.618 ( -7.599 0.914 -15.522) 17.306 20.358 ( 6.160 -8.299 -5.452) 11.685 20.506 ( 4.237 -1.501 4.832) 6.599 20.575 ( 1.387 4.485 -4.286) 6.357 21.185 ( -4.666 -6.363 -4.678) 9.173 ======================= Grid point 31 (24/294) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.247 ( 7.969 17.377 14.930) 24.256 4.386 ( 5.206 17.596 1.956) 18.454 5.078 ( -18.732 -3.753 1.310) 19.149 5.844 ( 0.631 -11.024 2.217) 11.263 6.556 ( 5.144 -5.508 -0.073) 7.537 6.704 ( -8.607 -4.998 -2.196) 10.192 8.209 ( 13.542 10.331 -7.965) 18.804 8.304 ( 3.482 -10.900 -14.651) 18.590 8.615 ( -0.040 6.422 5.719) 8.600 9.448 ( 5.719 -14.793 10.771) 19.171 10.237 ( 5.975 -8.622 3.587) 11.086 10.592 ( -1.787 2.549 10.744) 11.186 10.873 ( -6.745 6.887 -4.332) 10.569 11.105 ( -10.431 1.470 -7.747) 13.076 11.472 ( 9.217 -0.350 -1.412) 9.331 11.929 ( -12.433 -3.076 0.364) 12.813 12.498 ( 0.336 10.011 0.795) 10.048 13.010 ( 5.673 0.052 -8.176) 9.951 13.704 ( 8.034 -4.930 2.329) 9.709 14.631 ( -8.166 7.546 -4.953) 12.172 14.804 ( -2.317 -2.554 2.668) 4.360 15.831 ( 4.941 1.714 4.283) 6.759 16.593 ( -1.447 7.488 14.293) 16.200 16.927 ( -3.000 -4.999 1.438) 6.004 17.944 ( -8.219 2.229 5.913) 10.367 18.461 ( -2.848 3.508 -9.735) 10.733 20.331 ( 4.733 -9.530 -4.552) 11.573 20.557 ( 0.300 -2.245 5.937) 6.354 20.668 ( 5.886 5.978 -7.196) 11.053 21.047 ( -1.959 -3.712 -2.123) 4.704 ======================= Grid point 32 (25/294) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.383 ( -16.266 11.695 0.642) 20.044 4.506 ( -13.249 -4.616 -1.482) 14.108 4.794 ( -3.045 6.089 9.487) 11.677 5.830 ( 7.865 -7.494 -0.679) 10.885 6.376 ( -1.081 -13.044 3.717) 13.606 6.946 ( 15.853 13.283 5.998) 21.535 8.137 ( 6.905 -16.476 -12.641) 21.884 8.434 ( 7.511 7.417 -13.941) 17.486 8.713 ( -2.294 7.605 1.740) 8.132 9.438 ( -0.889 -8.426 11.460) 14.252 10.189 ( -19.589 -5.839 7.023) 21.614 10.327 ( -5.219 -8.690 -17.715) 20.410 10.980 ( 11.485 0.757 5.001) 12.550 11.070 ( -2.268 10.896 1.889) 11.289 11.558 ( 2.124 2.112 -1.729) 3.459 11.818 ( 1.445 -2.883 4.729) 5.724 12.613 ( 0.331 9.614 2.173) 9.862 13.097 ( 7.779 1.792 -4.566) 9.196 13.747 ( 2.448 -6.067 -0.649) 6.574 14.545 ( -6.793 8.647 -5.190) 12.160 14.726 ( -4.375 -3.920 1.704) 6.116 15.912 ( 1.069 -1.407 4.794) 5.109 16.549 ( -13.670 -3.524 8.084) 16.267 16.964 ( 6.557 1.966 1.829) 7.086 17.823 ( -8.763 3.013 -2.243) 9.534 18.490 ( 3.201 5.457 1.860) 6.594 20.281 ( 3.909 -10.179 -3.872) 11.570 20.566 ( -0.767 -1.390 4.539) 4.808 20.702 ( -1.459 1.524 -6.676) 7.001 21.089 ( 8.090 2.905 -0.218) 8.598 ======================= Grid point 33 (26/294) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.966 ( -30.383 -10.755 -1.820) 32.282 4.096 ( -28.351 7.369 -0.326) 29.295 5.001 ( 6.771 4.692 6.993) 10.806 5.837 ( 2.666 -9.235 0.722) 9.639 6.491 ( 18.554 -0.996 1.591) 18.649 7.426 ( 18.830 13.735 9.246) 25.074 8.000 ( -2.696 -10.591 -9.945) 14.776 8.512 ( 5.934 2.623 -11.016) 12.784 8.628 ( -12.529 3.204 -3.780) 13.473 9.357 ( -13.142 -1.825 6.914) 14.962 9.726 ( -2.947 -11.331 -11.632) 16.504 10.296 ( 4.343 -4.401 2.402) 6.633 10.992 ( -3.772 -4.739 0.814) 6.112 11.243 ( 0.295 10.268 -0.058) 10.272 11.638 ( 5.116 1.716 3.061) 6.203 11.944 ( 10.441 0.936 4.556) 11.430 12.696 ( -2.959 8.116 2.109) 8.892 13.207 ( 2.699 1.977 -0.598) 3.398 13.679 ( 1.330 -7.327 -5.823) 9.453 14.521 ( -5.385 10.323 -1.763) 11.776 14.634 ( -1.027 -5.011 2.206) 5.570 15.897 ( -2.516 -2.016 0.580) 3.276 16.275 ( -16.294 -7.001 6.917) 19.036 17.083 ( 3.070 3.150 -2.069) 4.861 17.731 ( -2.754 2.233 -2.585) 4.388 18.663 ( 6.481 6.101 7.580) 11.691 20.226 ( 3.566 -9.769 -2.295) 10.649 20.560 ( -1.575 -1.785 4.759) 5.321 20.631 ( -3.418 2.113 -5.476) 6.792 21.294 ( 11.111 4.196 -1.754) 12.006 ======================= Grid point 34 (27/294) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( -35.138 -9.683 -0.725) 36.455 3.634 ( -35.226 6.577 3.055) 35.965 5.150 ( 3.930 1.058 2.863) 4.976 5.760 ( -6.799 -7.642 2.877) 10.625 6.854 ( 22.770 1.866 -4.975) 23.382 7.620 ( -26.222 -0.060 -3.199) 26.417 7.904 ( 20.502 3.317 5.057) 21.375 8.523 ( 3.726 3.708 -3.875) 6.531 8.569 ( 5.223 2.517 -7.389) 9.392 9.152 ( -2.721 -7.441 -4.760) 9.243 9.725 ( 6.747 -0.780 1.588) 6.976 10.375 ( 5.734 -2.038 4.604) 7.631 10.812 ( -9.888 -10.179 2.096) 14.345 11.280 ( -5.720 13.910 -4.808) 15.790 11.734 ( 3.743 -3.992 1.991) 5.823 12.179 ( 11.095 1.665 2.846) 11.575 12.675 ( -6.493 3.455 -1.248) 7.460 13.175 ( -7.780 1.689 1.084) 8.035 13.629 ( 4.985 -6.412 -7.549) 11.089 14.508 ( -7.486 8.574 5.596) 12.683 14.673 ( 7.303 -2.261 1.408) 7.774 15.801 ( -6.458 -0.536 -5.011) 8.191 16.007 ( -10.549 -6.520 7.283) 14.382 17.098 ( -1.464 2.686 -4.735) 5.637 17.733 ( 1.479 0.165 -0.142) 1.495 18.892 ( 7.747 5.395 7.798) 12.245 20.197 ( 4.015 -7.712 0.880) 8.739 20.536 ( -2.500 -1.598 4.498) 5.388 20.579 ( -2.025 2.913 -4.569) 5.785 21.490 ( 9.881 2.620 -3.943) 10.957 ======================= Grid point 35 (28/294) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( -37.560 -5.469 3.109) 38.083 3.094 ( -40.292 7.785 5.906) 41.460 5.004 ( -35.311 -1.408 -1.388) 35.366 5.520 ( -4.753 -0.959 1.368) 5.038 7.193 ( 18.584 3.894 -5.480) 19.763 7.393 ( 4.562 -1.923 -1.761) 5.255 8.195 ( 19.340 -11.074 -3.683) 22.588 8.618 ( 6.955 -1.053 -6.043) 9.274 8.774 ( 6.538 13.522 8.729) 17.372 9.084 ( 4.742 -1.577 -4.222) 6.542 9.868 ( 3.771 5.794 4.995) 8.528 10.475 ( -2.754 3.133 -0.249) 4.179 10.504 ( -6.234 -19.680 7.056) 21.816 11.318 ( -5.374 20.623 -4.479) 21.778 11.647 ( -6.911 -11.838 0.263) 13.711 12.349 ( 8.058 -1.070 -0.718) 8.160 12.586 ( -1.906 0.019 -4.618) 4.996 13.031 ( -12.023 2.573 0.705) 12.316 13.611 ( 3.492 -3.230 -4.881) 6.816 14.509 ( -6.846 5.582 7.949) 11.884 14.793 ( 6.243 -0.894 1.758) 6.547 15.597 ( -11.167 -2.868 -2.231) 11.743 15.955 ( 4.861 -0.631 1.354) 5.085 17.054 ( -2.296 0.975 -3.607) 4.385 17.752 ( 0.295 -0.693 0.872) 1.152 19.088 ( 6.291 2.300 2.944) 7.316 20.239 ( 5.473 -3.521 5.576) 8.570 20.510 ( -1.892 -0.450 2.927) 3.514 20.556 ( -1.206 2.050 -2.737) 3.626 21.618 ( 7.247 0.279 -6.217) 9.552 ======================= Grid point 36 (29/294) ======================= q-point: (-0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -36.978 4.070 10.375) 38.621 2.503 ( -43.806 7.416 6.297) 44.874 4.108 ( -67.118 14.967 1.944) 68.794 5.588 ( 7.942 -1.671 0.405) 8.126 7.506 ( 15.854 -7.139 3.222) 17.683 7.579 ( 22.736 3.118 -11.835) 25.821 8.354 ( 17.906 -13.172 -5.641) 22.934 8.689 ( 8.070 -3.450 -4.880) 10.042 8.949 ( 4.576 -0.653 5.957) 7.540 9.301 ( 5.881 16.381 9.046) 19.615 9.962 ( -4.676 5.574 -1.476) 7.424 10.105 ( -16.585 -12.232 9.525) 22.703 10.583 ( 6.005 0.603 0.433) 6.051 11.302 ( -13.789 -14.117 -1.813) 19.817 11.451 ( -5.158 20.592 0.895) 21.247 12.423 ( 5.092 -3.317 -4.092) 7.326 12.563 ( 3.904 -3.059 -5.743) 7.588 12.875 ( -8.792 3.074 2.488) 9.640 13.653 ( 3.849 3.527 -0.378) 5.234 14.421 ( -12.779 -0.675 6.077) 14.167 14.847 ( 0.321 -0.079 -2.387) 2.409 15.415 ( -4.920 -0.785 -4.674) 6.831 16.132 ( 13.598 -1.086 4.695) 14.427 17.006 ( -1.676 -0.389 -1.402) 2.219 17.734 ( -2.764 0.209 1.261) 3.045 19.163 ( 3.188 -2.166 -4.822) 6.173 20.364 ( 5.404 -0.366 6.837) 8.723 20.503 ( -0.244 -0.352 2.712) 2.745 20.541 ( -0.939 1.228 -1.800) 2.373 21.674 ( 4.985 -0.427 -6.684) 8.349 ======================= Grid point 38 (30/294) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -27.923 24.646 9.385) 38.409 2.416 ( -17.715 29.365 22.241) 40.875 4.427 ( -38.971 43.645 17.105) 60.961 5.571 ( 4.902 -6.493 -0.372) 8.144 7.208 ( 5.083 -8.345 -12.401) 15.788 7.846 ( 15.306 -13.089 2.257) 20.265 8.300 ( 19.426 -3.856 -6.778) 20.933 8.711 ( 9.183 -0.609 0.654) 9.226 9.027 ( -2.259 -13.259 4.225) 14.098 9.254 ( -4.708 -9.711 3.969) 11.498 9.922 ( -4.045 -2.084 7.874) 9.094 10.427 ( 2.555 5.449 3.820) 7.128 10.652 ( -14.035 -12.259 6.065) 19.597 10.948 ( 8.364 22.008 -2.327) 23.659 11.627 ( -11.895 2.238 1.440) 12.189 12.389 ( 6.239 -4.037 -7.741) 10.731 12.589 ( 8.468 7.472 -0.665) 11.313 12.872 ( -6.463 1.560 1.142) 6.746 13.917 ( -10.548 -6.626 8.381) 15.013 14.133 ( -2.603 5.803 -7.733) 10.012 14.727 ( 4.023 4.369 -7.067) 9.231 15.443 ( -3.441 10.650 -0.348) 11.198 16.257 ( 7.186 -14.135 10.297) 18.907 17.097 ( 2.393 4.604 5.580) 7.620 17.776 ( -2.425 2.770 4.208) 5.591 18.898 ( 4.865 -2.062 -14.808) 15.723 20.226 ( -5.354 -8.072 -7.268) 12.110 20.517 ( 0.150 -1.182 2.265) 2.559 20.553 ( -1.263 1.291 0.328) 1.835 21.739 ( 5.434 -0.212 -2.527) 5.997 ======================= Grid point 39 (31/294) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 0.404 34.302 18.869) 39.152 2.662 ( -6.900 34.828 22.065) 41.803 4.459 ( -23.830 49.684 18.762) 58.210 5.572 ( 3.604 -7.728 0.162) 8.529 7.091 ( 0.144 -7.726 -15.059) 16.925 7.839 ( 1.147 -15.801 -3.429) 16.209 8.496 ( 11.390 -4.189 -3.098) 12.525 8.751 ( -3.280 -11.327 -2.800) 12.120 8.910 ( 8.091 -12.754 12.357) 19.515 9.198 ( 0.924 -8.219 1.148) 8.350 9.888 ( -3.334 0.639 3.697) 5.019 10.344 ( -1.630 -19.951 -0.328) 20.020 10.540 ( -0.788 3.923 7.155) 8.198 11.321 ( 5.311 19.846 -0.872) 20.563 11.515 ( -5.380 13.231 5.144) 15.181 12.340 ( -2.886 -3.951 -8.677) 9.961 12.679 ( -1.193 -7.004 1.920) 7.360 12.849 ( -1.086 10.356 -0.459) 10.422 13.674 ( -8.924 -6.119 0.997) 10.866 14.159 ( 1.031 9.392 -4.099) 10.300 14.867 ( 7.649 2.771 -4.380) 9.240 15.519 ( -2.182 13.180 2.724) 13.634 16.272 ( 4.299 -12.672 9.352) 16.326 17.204 ( -0.220 3.379 8.171) 8.845 17.807 ( -1.389 4.921 5.397) 7.435 18.908 ( 6.367 1.334 -14.239) 15.655 20.039 ( 0.137 -8.939 -8.797) 12.542 20.516 ( -1.553 -2.318 3.288) 4.312 20.538 ( -0.318 1.754 -1.785) 2.522 21.732 ( -1.648 -4.019 -3.902) 5.839 ======================= Grid point 40 (32/294) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 9.427 24.034 24.780) 35.785 3.110 ( 3.606 37.669 17.722) 41.785 4.818 ( -4.037 50.217 14.898) 52.535 5.557 ( 2.213 -5.639 1.923) 6.356 6.891 ( -4.626 -5.769 -15.461) 17.138 7.598 ( -7.268 -13.172 -5.484) 16.012 8.519 ( -3.251 1.886 -4.665) 5.991 8.622 ( 4.298 -20.102 0.170) 20.557 8.876 ( -4.767 -20.277 10.839) 23.481 9.119 ( 2.422 -10.421 -0.115) 10.699 9.879 ( -1.421 3.030 3.749) 5.025 10.238 ( 12.184 -19.511 0.518) 23.008 10.613 ( 3.983 0.795 1.679) 4.395 11.358 ( -13.336 15.528 6.937) 21.613 11.856 ( 14.457 18.954 -4.662) 24.290 12.127 ( -11.140 -2.718 -6.709) 13.286 12.556 ( -3.678 -8.695 1.682) 9.589 12.937 ( -0.658 8.959 2.092) 9.224 13.538 ( -2.320 -2.943 -3.655) 5.235 14.328 ( 6.198 12.054 2.910) 13.863 14.902 ( 2.304 -5.894 -4.780) 7.931 15.628 ( -3.099 12.803 2.770) 13.461 16.307 ( 2.839 -2.652 9.078) 9.874 17.242 ( -4.020 0.982 9.704) 10.550 17.892 ( 0.575 5.811 7.069) 9.169 18.919 ( 2.388 0.810 -13.277) 13.514 19.975 ( 8.961 -8.809 -9.607) 15.817 20.469 ( -2.165 -2.053 0.515) 3.028 20.550 ( 0.393 0.654 0.142) 0.776 21.582 ( -6.286 -6.031 -4.602) 9.853 ======================= Grid point 41 (33/294) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.472 ( 10.109 20.378 19.417) 29.907 3.640 ( 6.237 28.819 18.430) 34.773 5.350 ( 4.449 26.647 10.312) 28.917 5.607 ( 4.332 9.953 1.936) 11.026 6.660 ( -6.375 -3.835 -12.836) 14.836 7.356 ( -5.760 -4.321 -5.802) 9.247 8.293 ( -18.033 -14.439 -4.341) 23.506 8.479 ( -2.793 -0.334 -0.575) 2.871 8.624 ( 1.434 -24.829 -0.688) 24.880 9.106 ( 5.035 -14.225 11.955) 19.252 9.932 ( 4.118 -1.600 0.151) 4.421 10.335 ( 16.732 -13.423 -0.026) 21.451 10.725 ( 7.175 1.087 1.228) 7.360 11.316 ( -13.636 14.802 4.666) 20.660 11.844 ( -10.040 -4.745 -7.631) 13.474 12.213 ( 7.504 14.710 -3.222) 16.825 12.454 ( -2.058 -2.047 1.947) 3.495 13.028 ( 1.034 5.572 0.736) 5.715 13.447 ( -3.045 -2.716 -3.536) 5.399 14.583 ( 6.570 10.561 5.047) 13.423 14.827 ( 1.248 -8.444 -2.021) 8.772 15.684 ( -3.635 8.724 1.796) 9.620 16.427 ( 1.244 8.371 8.518) 12.007 17.214 ( -5.933 -1.595 9.885) 11.639 18.008 ( 0.412 5.147 9.646) 10.941 18.828 ( -3.356 -0.375 -13.848) 14.254 20.023 ( 12.689 -8.952 -9.759) 18.341 20.427 ( -0.283 -1.803 0.011) 1.825 20.562 ( 0.260 0.683 0.140) 0.744 21.378 ( -6.768 -6.572 -4.504) 10.454 ======================= Grid point 42 (34/294) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.938 ( 11.705 16.746 13.695) 24.597 4.098 ( 6.521 23.090 15.591) 28.614 5.466 ( -4.548 -0.861 8.055) 9.290 5.869 ( 1.577 12.878 -0.127) 12.975 6.483 ( -3.769 -0.413 -6.962) 7.928 7.186 ( -11.480 -2.682 -9.821) 15.344 7.944 ( -4.251 -1.391 -0.029) 4.473 8.274 ( -2.655 -20.804 -7.823) 22.384 8.592 ( 4.261 3.648 -0.131) 5.611 9.132 ( 6.684 -17.647 15.135) 24.190 9.976 ( 7.435 -6.965 -2.667) 10.531 10.495 ( 11.843 -6.054 2.100) 13.465 10.871 ( 5.756 1.525 4.313) 7.353 11.264 ( -6.117 9.766 -2.093) 11.712 11.608 ( -11.461 0.456 -3.878) 12.108 12.293 ( -3.424 -2.395 2.279) 4.760 12.524 ( 1.279 13.697 -3.891) 14.296 12.993 ( -6.634 -1.886 -5.888) 9.068 13.419 ( 5.317 -1.263 0.807) 5.524 14.736 ( 4.653 -5.747 3.412) 8.144 14.820 ( -0.548 6.810 1.052) 6.912 15.729 ( -0.584 6.645 2.198) 7.024 16.594 ( 0.208 12.222 8.240) 14.742 17.131 ( -7.234 -4.403 8.641) 12.099 18.109 ( -1.838 3.582 12.289) 12.932 18.653 ( -6.454 1.040 -15.540) 16.859 20.075 ( 10.921 -10.469 -8.791) 17.497 20.444 ( 3.631 -0.243 0.534) 3.678 20.576 ( 0.452 1.400 -0.795) 1.672 21.187 ( -5.508 -6.006 -3.678) 8.941 ======================= Grid point 43 (35/294) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.339 ( 9.897 12.453 10.400) 19.005 4.496 ( 6.630 19.883 8.669) 22.681 5.333 ( -13.102 -3.484 3.810) 14.082 5.836 ( -8.078 -4.996 1.527) 9.620 6.484 ( 2.042 5.653 0.478) 6.029 6.807 ( -14.387 -9.164 -4.471) 17.634 7.925 ( 4.262 -19.996 -10.361) 22.921 8.139 ( 8.128 9.886 -14.414) 19.276 8.733 ( 0.661 9.725 5.891) 11.389 9.190 ( 10.992 -18.513 13.614) 25.474 10.025 ( 8.743 -7.620 -2.444) 11.853 10.641 ( 6.592 1.211 6.452) 9.303 10.974 ( 0.959 2.444 3.420) 4.311 11.311 ( 4.940 4.089 -5.867) 8.691 11.391 ( -16.486 5.658 -1.125) 17.466 12.109 ( -13.737 -7.098 0.714) 15.479 12.612 ( -2.668 11.107 -1.726) 11.553 12.868 ( 3.157 -1.926 -7.659) 8.505 13.550 ( 8.428 -1.159 2.384) 8.835 14.767 ( 3.459 -4.847 3.030) 6.681 14.824 ( -7.421 6.207 -1.540) 9.797 15.824 ( 2.672 4.943 3.446) 6.591 16.758 ( 0.634 9.956 7.734) 12.623 16.986 ( -9.022 -7.082 6.614) 13.240 18.134 ( -6.908 0.613 9.242) 11.555 18.497 ( -3.870 5.991 -11.926) 13.896 20.080 ( 8.538 -11.791 -7.023) 16.164 20.541 ( 5.446 -0.299 4.230) 6.902 20.598 ( 1.749 3.563 -5.145) 6.498 21.042 ( -3.461 -4.012 -2.094) 5.698 ======================= Grid point 44 (36/294) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.593 ( 1.327 4.239 4.753) 6.506 4.743 ( -5.463 16.962 1.769) 17.908 5.053 ( -15.676 -1.628 4.226) 16.317 5.666 ( -1.433 -7.536 1.315) 7.783 6.368 ( -9.568 -10.356 2.567) 14.331 6.824 ( 13.146 6.337 3.280) 14.958 7.775 ( 7.962 -13.834 -9.674) 18.664 8.299 ( 8.474 10.493 -17.626) 22.194 8.821 ( -2.465 5.329 2.723) 6.472 9.283 ( 10.284 -16.133 12.710) 22.969 10.081 ( 7.710 -7.148 -3.753) 11.164 10.767 ( -24.168 2.146 7.039) 25.264 10.889 ( 0.032 5.180 -2.427) 5.721 11.199 ( -2.947 7.385 0.492) 7.967 11.455 ( 8.920 0.851 -1.938) 9.168 11.837 ( -7.136 -6.972 0.666) 9.999 12.685 ( 1.273 7.354 0.910) 7.519 12.938 ( 8.465 1.526 -5.325) 10.116 13.664 ( 4.147 -1.526 1.836) 4.785 14.691 ( -7.694 -0.821 -3.560) 8.517 14.789 ( -2.322 2.764 1.852) 4.057 15.927 ( 1.456 2.741 3.917) 4.998 16.770 ( -12.321 -7.866 5.886) 15.758 16.900 ( 3.674 4.328 3.711) 6.782 17.995 ( -10.549 -0.163 -1.698) 10.686 18.526 ( 1.481 8.782 0.560) 8.924 20.059 ( 6.958 -11.627 -4.880) 14.402 20.596 ( -0.402 0.008 2.865) 2.893 20.671 ( 3.848 2.580 -3.686) 5.921 20.998 ( 3.000 -0.099 -1.223) 3.241 ======================= Grid point 45 (37/294) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.352 ( -24.966 -6.025 -0.732) 25.693 4.634 ( -22.714 12.527 -0.337) 25.941 5.022 ( 1.808 4.215 6.929) 8.310 5.662 ( 6.223 -8.534 -0.364) 10.568 6.268 ( 6.137 -3.750 4.309) 8.384 7.135 ( 20.157 -5.003 -3.344) 21.036 7.857 ( 9.822 5.510 2.598) 11.558 8.414 ( 5.529 9.560 -14.642) 18.340 8.777 ( -5.896 -0.620 -2.006) 6.258 9.403 ( 10.730 -9.938 12.597) 19.302 9.900 ( -26.340 -9.553 -16.902) 32.722 10.281 ( -12.797 0.421 9.858) 16.160 10.989 ( 0.276 -2.369 3.490) 4.227 11.312 ( 3.029 10.983 -4.034) 12.086 11.612 ( 5.065 3.380 3.118) 6.841 11.777 ( 7.804 -5.107 0.495) 9.339 12.777 ( 1.055 4.253 0.711) 4.439 13.094 ( 9.971 2.278 -2.427) 10.511 13.653 ( -3.852 -2.014 -0.698) 4.402 14.565 ( -2.223 -2.536 -0.999) 3.517 14.766 ( -6.156 5.882 0.988) 8.571 15.950 ( -2.985 1.245 1.056) 3.402 16.498 ( -14.328 -8.462 5.613) 17.561 17.013 ( 5.240 1.708 -1.307) 5.664 17.818 ( -7.609 -0.343 -2.639) 8.061 18.679 ( 4.279 8.157 4.616) 10.304 20.039 ( 5.904 -9.918 -1.945) 11.705 20.594 ( -0.835 0.204 -0.098) 0.865 20.684 ( -2.766 1.769 0.967) 3.423 21.122 ( 10.409 1.933 -2.939) 10.987 ======================= Grid point 46 (38/294) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.805 ( -32.329 -4.664 1.283) 32.689 4.291 ( -30.329 9.674 1.211) 31.858 5.123 ( 2.790 0.870 3.483) 4.547 5.697 ( 6.244 -5.459 2.813) 8.758 6.497 ( 17.965 1.225 -1.065) 18.038 7.333 ( 21.263 -15.439 -11.236) 28.579 8.150 ( -5.169 16.472 12.842) 21.516 8.492 ( 1.823 8.805 -10.301) 13.673 8.611 ( -6.260 1.071 -0.871) 6.411 9.201 ( -21.950 -8.318 -14.717) 27.705 9.606 ( 10.611 -2.427 13.309) 17.193 10.282 ( 3.192 -4.776 7.336) 9.317 10.896 ( -7.538 -7.561 4.220) 11.480 11.417 ( 0.309 13.775 -8.360) 16.116 11.669 ( 1.171 -0.432 -1.318) 1.815 11.983 ( 14.770 -1.855 2.373) 15.074 12.762 ( -4.418 -2.505 -2.083) 5.489 13.236 ( 4.391 0.965 -0.863) 4.578 13.550 ( -4.002 1.085 -1.976) 4.593 14.559 ( 3.271 -3.915 3.549) 6.215 14.730 ( -5.822 7.642 1.536) 9.730 15.877 ( -5.692 2.332 -4.712) 7.748 16.209 ( -14.991 -7.411 7.114) 18.173 17.076 ( 2.670 0.955 -5.380) 6.082 17.723 ( -1.521 -1.884 0.818) 2.556 18.860 ( 6.093 5.113 2.909) 8.470 20.056 ( 5.768 -6.232 2.560) 8.869 20.576 ( -0.986 -0.401 -0.207) 1.084 20.651 ( -4.681 3.116 1.734) 5.885 21.298 ( 11.141 0.600 -4.985) 12.220 ======================= Grid point 47 (39/294) ======================= q-point: (-0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( -34.871 0.151 5.210) 35.258 3.835 ( -34.904 7.229 2.758) 35.751 5.182 ( 1.945 -0.618 1.572) 2.576 5.736 ( -6.049 1.918 4.212) 7.616 6.820 ( 20.809 2.045 -6.093) 21.779 7.414 ( 7.847 -9.525 -9.904) 15.824 7.852 ( -16.552 -6.370 -1.313) 17.784 8.547 ( 1.304 3.219 -4.399) 5.605 8.836 ( 4.054 6.851 5.838) 9.872 8.986 ( 8.701 9.139 -0.864) 12.648 9.851 ( 8.870 2.200 11.243) 14.489 10.338 ( 5.141 -8.757 7.392) 12.560 10.669 ( -12.544 -7.528 4.486) 15.302 11.512 ( -0.710 17.704 -9.323) 20.021 11.625 ( -2.105 -5.337 -4.184) 7.100 12.178 ( 9.940 -3.517 -0.233) 10.547 12.589 ( -5.435 -6.698 -4.747) 9.845 13.220 ( -5.912 -0.004 -0.075) 5.912 13.549 ( 0.809 5.242 -1.941) 5.648 14.599 ( 2.289 -6.811 7.950) 10.716 14.759 ( -0.047 6.944 0.316) 6.951 15.751 ( -9.674 2.567 -5.871) 11.604 15.985 ( -7.738 -2.487 5.740) 9.950 17.061 ( -0.626 -0.234 -4.723) 4.770 17.724 ( 2.034 -2.409 2.540) 4.049 18.991 ( 6.208 -0.485 -2.949) 6.890 20.157 ( 6.505 -0.720 8.020) 10.352 20.552 ( -1.328 -1.351 1.467) 2.396 20.613 ( -4.337 3.890 -0.296) 5.833 21.432 ( 9.353 -1.198 -6.782) 11.616 ======================= Grid point 48 (40/294) ======================= q-point: (-0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -33.746 8.495 11.274) 36.580 3.294 ( -38.996 5.462 2.869) 39.481 5.108 ( -21.623 8.102 2.217) 23.197 5.572 ( -13.121 5.526 2.927) 14.535 7.156 ( 20.226 0.967 -9.202) 22.242 7.322 ( 1.411 -2.574 0.935) 3.081 7.818 ( 20.699 -14.630 -6.913) 26.273 8.557 ( 2.687 -2.050 -2.717) 4.336 8.889 ( 4.185 1.058 -0.845) 4.399 9.394 ( 9.330 14.000 12.702) 21.081 10.022 ( 1.231 0.121 4.457) 4.625 10.280 ( -8.106 -10.503 12.821) 18.450 10.538 ( 1.176 3.034 2.669) 4.209 11.383 ( -11.499 -10.662 -4.586) 16.339 11.658 ( 0.439 18.542 -8.027) 20.210 12.257 ( 6.951 -4.625 -3.050) 8.889 12.457 ( 0.211 -5.491 -5.608) 7.851 13.082 ( -9.771 0.810 1.274) 9.887 13.644 ( 3.317 8.837 -0.110) 9.440 14.562 ( -4.184 -10.375 9.352) 14.581 14.818 ( 1.305 2.914 -5.411) 6.282 15.548 ( -12.201 4.245 -3.562) 13.401 16.000 ( 4.927 0.156 5.795) 7.608 17.016 ( -1.107 -0.880 -1.577) 2.118 17.753 ( 1.270 -1.337 2.745) 3.307 19.015 ( 4.746 -5.388 -9.121) 11.608 20.331 ( 5.285 2.391 9.379) 11.028 20.525 ( -1.274 -1.744 2.513) 3.314 20.574 ( -3.030 2.196 -2.607) 4.561 21.519 ( 7.843 -1.018 -6.633) 10.322 ======================= Grid point 50 (41/294) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( -29.213 19.753 4.854) 35.597 3.120 ( -19.329 25.057 20.440) 37.673 5.166 ( -3.537 3.363 3.126) 5.796 5.594 ( -13.924 7.833 0.063) 15.977 7.168 ( -7.276 7.677 -4.103) 11.345 7.400 ( 22.835 -16.509 4.010) 28.461 7.932 ( 16.778 4.152 -3.975) 17.735 8.597 ( 6.025 0.990 2.650) 6.656 8.930 ( 2.345 -8.641 1.671) 9.108 9.279 ( -8.051 -12.645 2.032) 15.127 9.988 ( -5.612 -8.916 6.011) 12.129 10.362 ( -1.342 -4.530 -5.467) 7.225 10.882 ( -10.371 -2.824 10.053) 14.717 11.051 ( 5.567 20.127 3.791) 21.224 11.712 ( -1.102 -3.654 -5.038) 6.320 12.170 ( 9.649 -3.373 -9.036) 13.643 12.517 ( 8.197 8.431 -1.029) 11.803 13.022 ( -6.699 4.016 -1.034) 7.879 14.034 ( -3.378 -4.014 7.186) 8.897 14.203 ( -6.148 0.253 -1.578) 6.353 14.666 ( 1.561 2.287 -6.899) 7.434 15.660 ( -7.942 13.570 1.153) 15.766 16.105 ( 4.368 -10.225 10.980) 15.626 17.125 ( 3.808 5.128 4.369) 7.738 17.833 ( 1.341 -0.070 6.564) 6.700 18.684 ( 5.821 -3.756 -13.996) 15.616 20.232 ( -9.237 -7.024 -8.159) 14.186 20.518 ( -0.150 -0.956 1.632) 1.897 20.602 ( -1.512 2.407 2.661) 3.894 21.587 ( 9.155 -1.665 -3.536) 9.955 ======================= Grid point 51 (42/294) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( -12.794 30.228 12.889) 35.264 3.261 ( -11.052 30.760 19.361) 37.989 5.180 ( -6.766 12.972 6.905) 16.178 5.496 ( -3.844 2.154 0.003) 4.406 7.084 ( -7.297 6.967 -7.262) 12.430 7.568 ( 11.465 -16.165 3.429) 20.113 8.185 ( 15.606 -2.393 -3.241) 16.117 8.724 ( 2.199 1.931 -3.993) 4.951 8.784 ( -3.424 -15.841 10.140) 19.117 9.109 ( -1.335 -9.860 -0.010) 9.950 9.832 ( 1.299 -13.883 -2.105) 14.102 10.233 ( -5.378 -7.082 -3.033) 9.396 10.733 ( -9.905 -0.758 9.855) 13.993 11.390 ( 6.835 19.650 1.736) 20.878 11.691 ( 1.061 3.965 0.906) 4.203 12.218 ( 5.866 -4.713 -7.888) 10.901 12.676 ( 0.472 1.690 1.176) 2.112 12.958 ( -3.189 7.959 -3.823) 9.388 13.795 ( -12.480 -11.725 4.532) 17.714 14.210 ( 0.352 9.892 -4.211) 10.756 14.757 ( 5.705 2.898 -2.367) 6.823 15.712 ( -3.558 12.615 4.798) 13.957 16.151 ( 5.055 -7.484 9.583) 13.168 17.271 ( 2.831 4.996 6.388) 8.589 17.899 ( 0.201 1.484 9.158) 9.280 18.699 ( 7.933 0.270 -13.905) 16.011 19.959 ( -6.876 -8.471 -9.974) 14.783 20.522 ( 0.260 -1.593 2.905) 3.324 20.582 ( -3.405 1.746 -0.787) 3.907 21.641 ( 3.725 -5.273 -4.681) 7.974 ======================= Grid point 52 (43/294) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( 0.628 25.800 17.982) 31.454 3.570 ( -2.975 34.747 16.052) 38.391 5.299 ( -0.086 13.688 8.001) 15.855 5.504 ( 0.815 5.463 0.960) 5.607 6.963 ( -9.670 8.297 -10.288) 16.376 7.509 ( -1.168 -12.813 -0.057) 12.866 8.334 ( 8.205 -16.633 1.934) 18.647 8.575 ( -3.349 1.538 -2.171) 4.277 8.792 ( 2.281 -11.874 5.455) 13.265 8.968 ( -1.717 -13.528 -2.827) 13.927 9.787 ( 11.768 -14.910 -3.862) 19.383 10.028 ( -8.770 -5.411 2.694) 10.652 10.665 ( -4.260 0.586 6.364) 7.681 11.643 ( 2.052 14.255 0.231) 14.404 11.823 ( 3.151 11.639 -0.363) 12.064 12.164 ( -0.699 -4.814 -6.196) 7.877 12.568 ( -7.076 -4.277 -0.172) 8.270 13.048 ( 1.607 8.929 0.898) 9.117 13.541 ( -6.567 -6.710 -1.751) 9.551 14.369 ( 5.472 12.303 2.754) 13.744 14.796 ( 1.239 -3.641 -2.747) 4.726 15.797 ( -3.016 6.592 6.632) 9.825 16.284 ( 6.829 4.838 6.204) 10.417 17.369 ( -1.460 3.151 8.014) 8.734 17.988 ( 0.527 2.977 11.913) 12.291 18.763 ( 7.124 1.963 -13.769) 15.627 19.749 ( 0.105 -8.893 -10.421) 13.700 20.501 ( -3.098 -2.993 2.628) 5.046 20.551 ( -0.196 1.873 -2.122) 2.837 21.556 ( -2.085 -7.810 -5.436) 9.741 ======================= Grid point 53 (44/294) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.599 ( 5.467 15.937 14.643) 22.322 3.986 ( 1.211 30.783 15.966) 34.698 5.456 ( 3.825 -0.372 7.849) 8.739 5.702 ( 6.124 20.396 1.151) 21.326 6.797 ( -11.959 8.433 -10.246) 17.864 7.365 ( -3.940 -2.023 -3.490) 5.639 8.166 ( -0.103 -22.820 -4.893) 23.339 8.499 ( -7.937 -12.233 3.221) 14.933 8.664 ( -13.536 -1.703 1.746) 13.754 8.872 ( 13.394 -14.711 3.414) 20.185 9.822 ( 8.951 -15.676 -1.971) 18.159 9.972 ( 5.575 0.850 0.483) 5.660 10.687 ( 1.964 1.657 5.121) 5.729 11.706 ( -12.696 11.877 3.794) 17.795 11.841 ( -2.518 -2.096 -10.491) 10.990 12.189 ( 7.075 6.569 -3.310) 10.206 12.453 ( -1.194 -4.522 2.748) 5.425 13.128 ( -2.729 7.665 2.300) 8.455 13.435 ( -0.365 -2.499 -3.972) 4.707 14.570 ( 4.084 -0.291 2.876) 5.004 14.779 ( 1.634 5.265 1.800) 5.799 15.816 ( -3.460 1.999 6.017) 7.223 16.511 ( 5.488 12.874 2.208) 14.168 17.377 ( -6.102 1.114 9.468) 11.319 18.115 ( 0.952 3.569 14.279) 14.749 18.768 ( 0.909 1.645 -14.098) 14.223 19.678 ( 9.103 -9.241 -10.490) 16.682 20.430 ( -2.462 -2.167 0.029) 3.281 20.560 ( 0.499 0.567 -0.530) 0.923 21.381 ( -4.995 -8.072 -4.962) 10.711 ======================= Grid point 54 (45/294) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.923 ( 10.405 9.860 8.311) 16.570 4.368 ( 1.710 22.774 16.068) 27.924 5.529 ( 0.312 -2.083 7.162) 7.466 5.964 ( 2.457 11.673 0.217) 11.931 6.636 ( -10.187 8.746 -4.991) 14.324 7.293 ( -6.729 6.848 -10.614) 14.312 7.871 ( -2.854 -21.532 -7.378) 22.939 8.146 ( -9.640 -17.862 -0.131) 20.298 8.589 ( 1.145 3.496 4.027) 5.454 8.988 ( 6.384 -9.706 11.531) 16.368 9.785 ( 4.357 -8.077 -3.723) 9.904 10.167 ( 17.264 -3.185 -1.704) 17.638 10.815 ( 6.060 1.444 6.452) 8.969 11.505 ( -14.116 3.182 -5.868) 15.615 11.750 ( -6.428 3.679 0.213) 7.410 12.289 ( 1.619 -0.571 -2.849) 3.326 12.513 ( 7.185 2.248 0.947) 7.588 13.139 ( -7.047 6.368 -0.423) 9.507 13.369 ( -1.442 -1.530 -2.721) 3.439 14.567 ( 4.810 -9.419 1.580) 10.694 14.947 ( 0.637 11.634 5.095) 12.717 15.817 ( -1.990 2.335 4.421) 5.382 16.714 ( 3.091 11.723 0.298) 12.127 17.308 ( -9.441 0.214 9.526) 13.413 18.243 ( -0.449 1.846 15.902) 16.015 18.668 ( -4.203 3.320 -14.878) 15.813 19.710 ( 12.445 -10.875 -10.046) 19.341 20.399 ( 1.074 -0.515 -0.501) 1.292 20.571 ( 0.691 0.307 -0.337) 0.828 21.197 ( -5.036 -6.381 -3.434) 8.825 ======================= Grid point 55 (46/294) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.249 ( 14.565 6.286 3.939) 16.345 4.675 ( 1.956 15.583 12.996) 20.385 5.480 ( -6.737 -3.996 2.663) 8.273 5.987 ( -7.985 3.358 1.321) 8.763 6.608 ( -2.972 9.947 2.865) 10.769 6.984 ( -21.469 -5.314 -8.198) 23.587 7.615 ( 1.464 -19.255 -8.888) 21.258 8.015 ( 5.327 3.109 -9.761) 11.547 8.765 ( 10.104 1.782 6.574) 12.185 9.021 ( -0.227 -7.370 11.607) 13.751 9.800 ( 7.726 -5.194 -3.683) 10.012 10.435 ( 18.154 -2.165 -0.325) 18.286 10.949 ( 4.886 -1.147 5.113) 7.164 11.340 ( -5.822 7.321 -5.359) 10.780 11.670 ( -9.198 4.479 1.953) 10.415 12.215 ( -6.179 -7.115 0.117) 9.424 12.661 ( 6.918 3.894 -3.149) 8.541 12.942 ( -16.819 3.335 -2.040) 17.267 13.421 ( 7.738 0.944 -0.456) 7.809 14.614 ( 7.795 -6.325 2.004) 10.236 15.010 ( -6.273 5.488 2.583) 8.726 15.862 ( 0.953 4.288 2.908) 5.268 16.828 ( 1.045 2.869 0.795) 3.155 17.191 ( -11.724 2.511 7.747) 14.275 18.283 ( -5.033 -3.452 9.781) 11.528 18.570 ( -3.890 9.736 -9.401) 14.082 19.742 ( 11.598 -12.799 -8.216) 19.126 20.458 ( 5.401 1.838 -0.686) 5.746 20.586 ( 0.900 0.233 -0.201) 0.951 21.059 ( -3.885 -3.326 -1.343) 5.288 ======================= Grid point 56 (47/294) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.557 ( 12.629 3.708 2.042) 13.319 4.878 ( 1.593 7.393 5.527) 9.367 5.272 ( -12.197 -5.766 0.358) 13.496 5.826 ( -14.990 4.598 1.646) 15.766 6.522 ( -15.883 -12.859 -3.123) 20.673 6.712 ( 1.679 5.442 3.105) 6.487 7.528 ( 7.363 -2.573 -1.238) 7.897 8.141 ( 9.663 9.474 -15.350) 20.463 8.920 ( 0.037 1.152 1.591) 1.965 9.032 ( 7.130 -12.381 12.466) 18.961 9.867 ( 7.563 -5.327 -3.650) 9.944 10.728 ( 16.571 0.451 1.981) 16.695 11.045 ( 3.672 4.064 0.014) 5.477 11.358 ( 1.116 5.040 -2.080) 5.566 11.504 ( -19.996 4.475 1.955) 20.584 11.925 ( -13.445 -10.897 -0.016) 17.306 12.767 ( -3.746 7.467 -2.234) 8.647 12.803 ( 5.525 0.222 -0.293) 5.537 13.578 ( 7.888 1.994 0.701) 8.166 14.677 ( 3.031 -4.831 -0.805) 5.760 14.915 ( -7.470 1.849 1.069) 7.770 15.953 ( 2.093 4.609 2.041) 5.458 16.789 ( -2.675 -9.220 1.034) 9.655 17.083 ( -10.685 6.954 4.628) 13.562 18.135 ( -9.305 -3.616 -1.721) 10.130 18.619 ( -0.665 10.465 1.121) 10.546 19.764 ( 10.626 -12.327 -4.793) 16.966 20.577 ( 4.549 3.636 -6.830) 8.976 20.613 ( 3.377 -0.757 6.278) 7.169 20.989 ( -2.145 0.219 -0.003) 2.156 ======================= Grid point 57 (48/294) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.642 ( -11.145 -0.039 1.036) 11.193 4.928 ( 0.871 -1.061 -3.565) 3.820 5.056 ( -4.982 -4.525 1.965) 7.012 5.655 ( -11.967 7.395 1.348) 14.132 6.240 ( -3.071 -7.922 1.484) 8.625 6.778 ( 7.063 -4.955 -4.365) 9.669 7.808 ( 13.305 14.456 11.740) 22.888 8.312 ( 8.554 12.943 -15.657) 22.041 8.843 ( -5.807 -2.968 -1.664) 6.730 9.165 ( 12.410 -11.149 12.426) 20.802 9.859 ( 1.547 -9.517 -5.954) 11.332 10.880 ( -36.301 3.603 2.619) 36.573 10.958 ( 6.977 0.118 0.270) 6.983 11.323 ( 2.949 8.929 -1.790) 9.572 11.434 ( 11.116 -5.926 -1.140) 12.649 11.729 ( -4.146 -2.470 1.389) 5.022 12.785 ( 0.679 2.440 -0.128) 2.536 12.951 ( 8.502 2.889 0.101) 8.980 13.689 ( 1.131 2.598 0.309) 2.850 14.579 ( -4.091 -5.825 -0.569) 7.141 14.880 ( -1.907 3.207 -0.269) 3.741 16.014 ( -1.095 3.497 -0.169) 3.668 16.613 ( -6.325 -10.531 1.477) 12.373 17.017 ( -5.296 4.180 0.198) 6.750 17.928 ( -9.062 -3.398 -2.279) 9.943 18.728 ( 1.576 7.665 1.530) 7.974 19.812 ( 9.408 -8.982 -0.058) 13.007 20.585 ( 0.486 0.473 -3.892) 3.951 20.743 ( 3.077 2.645 5.596) 6.912 20.995 ( 2.670 1.810 -1.920) 3.754 ======================= Grid point 58 (49/294) ======================= q-point: (-0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.288 ( -26.608 -0.642 1.447) 26.655 4.748 ( -15.340 -3.989 -1.944) 15.969 5.061 ( 5.784 -4.217 -1.504) 7.315 5.619 ( -1.241 7.556 1.481) 7.799 6.290 ( 9.943 0.330 2.717) 10.313 6.829 ( 12.394 -9.684 -8.020) 17.655 8.318 ( 14.056 20.448 16.659) 29.887 8.476 ( 5.023 13.482 -11.150) 18.202 8.685 ( -5.970 -4.925 -1.827) 7.952 9.323 ( 2.001 -5.131 -5.860) 8.042 9.594 ( -10.762 -12.562 6.231) 17.677 10.409 ( -19.289 1.016 8.671) 21.173 10.964 ( -4.115 -4.377 3.612) 7.010 11.453 ( 3.756 12.666 -10.318) 16.763 11.623 ( 10.826 -6.622 -4.726) 13.542 11.701 ( 6.331 -1.282 4.505) 7.875 12.770 ( -2.670 -3.787 -2.037) 5.061 13.120 ( 7.936 1.545 0.152) 8.086 13.672 ( -5.322 4.271 -0.107) 6.824 14.519 ( 0.912 -3.672 4.603) 5.958 14.856 ( -3.352 2.177 -1.978) 4.459 15.971 ( -5.313 3.519 -5.464) 8.394 16.413 ( -10.455 -6.068 4.961) 13.067 16.998 ( 1.424 1.047 -4.443) 4.781 17.760 ( -5.492 -4.311 1.317) 7.105 18.819 ( 3.341 2.283 -2.452) 4.731 19.917 ( 8.374 -3.182 5.771) 10.657 20.571 ( 0.036 -0.081 -2.464) 2.466 20.797 ( -4.687 4.546 5.839) 8.759 21.089 ( 9.302 -0.299 -5.002) 10.566 ======================= Grid point 59 (50/294) ======================= q-point: (-0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.831 ( -30.358 3.209 5.141) 30.957 4.378 ( -23.399 -1.918 -1.289) 23.513 5.100 ( 5.545 -5.057 -1.430) 7.640 5.761 ( 5.703 8.153 2.805) 10.337 6.535 ( 13.694 4.193 0.291) 14.324 6.927 ( 18.454 -11.197 -9.522) 23.592 8.357 ( -28.144 -0.460 -0.311) 28.150 8.559 ( -1.158 5.469 -4.996) 7.497 8.853 ( -2.308 -0.350 -2.169) 3.187 8.973 ( 6.643 15.600 3.184) 17.252 9.746 ( 13.038 -4.114 18.014) 22.614 10.298 ( -3.073 -1.377 8.038) 8.714 10.820 ( -9.533 -5.839 5.571) 12.491 11.546 ( 1.127 0.959 -12.252) 12.341 11.608 ( 1.442 10.085 -7.596) 12.707 11.911 ( 15.191 -7.719 0.758) 17.057 12.591 ( -7.453 -8.799 -4.006) 12.207 13.216 ( 2.836 -0.692 -1.570) 3.314 13.656 ( -3.446 8.015 1.248) 8.813 14.545 ( 1.385 -4.836 7.095) 8.697 14.810 ( -1.214 -0.124 -1.533) 1.959 15.881 ( -5.540 6.732 -8.386) 12.097 16.204 ( -13.653 -1.775 7.104) 15.493 17.008 ( 2.285 -0.562 -5.281) 5.781 17.689 ( 0.004 -4.494 4.366) 6.265 18.845 ( 4.374 -3.847 -7.669) 9.630 20.104 ( 7.945 2.725 10.658) 13.570 20.555 ( -0.314 -0.575 -0.946) 1.151 20.762 ( -7.447 4.335 2.766) 9.050 21.210 ( 10.139 -2.151 -6.208) 12.082 ======================= Grid point 60 (51/294) ======================= q-point: (-0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.429 ( -29.757 9.944 10.141) 32.973 3.923 ( -29.809 1.302 -0.002) 29.837 5.137 ( 5.642 -5.308 -1.065) 7.819 5.903 ( -3.321 7.789 2.572) 8.850 6.803 ( 16.342 1.723 -3.834) 16.874 7.138 ( 21.818 -5.135 -7.891) 23.762 7.780 ( -31.343 1.274 1.408) 31.401 8.511 ( -0.966 -2.365 -1.012) 2.748 8.826 ( 3.539 3.867 -6.099) 8.042 9.397 ( 10.885 6.141 11.735) 17.144 10.002 ( 6.626 -1.805 15.356) 16.821 10.339 ( 1.389 2.194 9.231) 9.589 10.644 ( -8.490 -1.856 5.023) 10.038 11.397 ( -5.364 -6.924 -9.964) 13.266 11.732 ( 2.351 15.035 -11.112) 18.843 12.030 ( 10.875 -10.390 -3.274) 15.393 12.388 ( -3.257 -6.102 -3.616) 7.805 13.187 ( -3.281 -0.447 -2.384) 4.081 13.728 ( -0.089 10.671 2.545) 10.970 14.526 ( -0.131 -10.858 6.812) 12.819 14.792 ( 0.151 -0.832 -2.710) 2.839 15.803 ( -9.445 10.175 -5.797) 15.045 16.052 ( -6.989 -0.093 7.673) 10.379 17.000 ( 0.836 -0.735 -2.249) 2.509 17.711 ( 3.134 -3.223 4.829) 6.598 18.806 ( 4.686 -7.416 -11.491) 14.456 20.339 ( 6.253 5.285 11.693) 14.274 20.537 ( -0.755 -1.226 0.663) 1.585 20.667 ( -7.648 1.587 -2.027) 8.070 21.316 ( 9.747 -1.873 -6.007) 11.602 ======================= Grid point 62 (52/294) ======================= q-point: ( 0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.639 ( -20.912 17.519 2.820) 27.426 3.799 ( -21.483 20.101 17.098) 34.028 5.019 ( 11.040 -8.903 -1.463) 14.257 5.864 ( -12.339 1.006 -2.008) 12.542 6.846 ( 22.285 -17.714 0.854) 28.481 7.225 ( 8.741 -0.924 -9.510) 12.950 8.032 ( -10.610 25.483 8.581) 28.906 8.545 ( 4.297 1.320 3.514) 5.706 8.826 ( 2.237 -6.160 1.297) 6.681 9.286 ( -4.559 -9.797 0.811) 10.836 10.001 ( -9.258 -16.055 -3.657) 18.891 10.420 ( -8.598 2.108 5.094) 10.214 10.983 ( 6.247 3.990 3.497) 8.196 11.159 ( 1.011 7.837 4.231) 8.964 11.595 ( 1.973 -8.940 -6.680) 11.333 11.916 ( 9.103 -2.532 -6.362) 11.391 12.469 ( 6.698 9.916 -2.403) 12.206 13.132 ( -3.113 3.602 -3.080) 5.670 14.030 ( 0.257 -9.085 4.524) 10.152 14.320 ( -3.102 6.293 2.046) 7.308 14.655 ( -2.410 0.701 -3.020) 3.927 15.957 ( -8.780 12.313 0.542) 15.133 16.043 ( -0.745 -7.137 10.529) 12.741 17.107 ( 5.789 2.971 2.245) 6.883 17.802 ( 5.016 -1.715 3.977) 6.627 18.508 ( 3.534 -0.723 -7.402) 8.234 20.285 ( -10.882 -6.831 -9.724) 16.113 20.524 ( -0.425 -0.658 1.106) 1.355 20.690 ( -2.664 3.946 5.415) 7.210 21.367 ( 11.104 -3.019 -4.267) 12.272 ======================= Grid point 63 (53/294) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( -17.129 26.282 8.277) 32.445 3.847 ( -12.920 25.650 16.671) 33.208 5.123 ( 9.978 -6.136 1.643) 11.828 5.672 ( -9.542 2.055 -1.487) 9.874 6.990 ( 14.507 -22.665 1.907) 26.978 7.338 ( 11.140 6.442 -11.012) 16.937 8.106 ( -7.283 8.397 6.511) 12.882 8.671 ( 5.284 1.635 4.108) 6.889 8.785 ( -2.580 -6.713 3.778) 8.124 9.086 ( -7.646 -6.561 -4.574) 11.064 9.663 ( -4.193 -17.472 -7.380) 19.425 10.327 ( -9.179 0.589 5.657) 10.799 10.933 ( -8.897 -2.069 6.605) 11.273 11.465 ( 11.193 12.620 5.073) 17.615 11.575 ( 7.023 -0.520 -5.633) 9.018 11.986 ( 8.885 -6.475 -6.685) 12.867 12.666 ( 5.992 8.544 -2.103) 10.646 13.072 ( -5.716 3.459 -4.500) 8.056 13.882 ( -7.716 -13.287 6.201) 16.569 14.304 ( -3.826 8.893 -4.118) 10.520 14.713 ( 3.456 4.105 1.930) 5.703 15.944 ( -6.984 10.653 3.804) 13.294 16.078 ( 3.962 -3.395 9.734) 11.044 17.265 ( 6.731 2.893 4.110) 8.401 17.904 ( 5.427 -1.055 5.553) 7.836 18.543 ( 3.818 3.501 -6.011) 7.935 19.966 ( -10.499 -7.645 -11.384) 17.270 20.522 ( -0.021 -0.970 2.105) 2.318 20.671 ( -4.950 2.019 1.093) 5.456 21.458 ( 7.657 -6.002 -5.152) 11.008 ======================= Grid point 64 (54/294) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.658 ( -9.066 24.792 12.732) 29.307 4.051 ( -5.751 30.203 12.766) 33.291 5.253 ( 8.762 -3.521 4.378) 10.409 5.606 ( -1.946 6.414 0.905) 6.764 6.946 ( 5.686 -17.128 -3.996) 18.484 7.510 ( 3.530 8.844 -8.139) 12.527 8.072 ( 3.039 -11.388 5.686) 13.087 8.585 ( -7.719 -13.455 -5.410) 16.429 8.742 ( -0.995 -2.106 1.300) 2.668 8.935 ( -3.803 0.946 0.121) 3.921 9.493 ( 3.507 -11.780 -1.283) 12.358 10.175 ( -10.843 -2.016 4.545) 11.929 10.813 ( -8.004 -0.655 6.888) 10.580 11.678 ( 5.040 10.561 -1.996) 11.871 11.812 ( 11.616 6.521 0.500) 13.330 12.001 ( 6.274 -8.879 -6.027) 12.431 12.711 ( -8.478 2.591 -2.181) 9.130 13.037 ( 4.343 4.701 -4.050) 7.574 13.621 ( -11.418 -10.454 3.592) 15.892 14.405 ( 4.617 10.567 0.327) 11.536 14.772 ( -0.333 1.034 1.273) 1.673 15.947 ( -4.608 2.373 6.851) 8.591 16.257 ( 7.915 9.311 5.129) 13.253 17.417 ( 4.468 1.965 5.755) 7.546 18.032 ( 5.141 -0.590 9.849) 11.126 18.623 ( 4.289 6.217 -6.818) 10.175 19.666 ( -7.366 -7.805 -11.854) 15.991 20.523 ( -0.514 -2.515 3.807) 4.592 20.595 ( -4.811 1.848 -2.898) 5.912 21.438 ( 2.445 -8.439 -5.879) 10.571 ======================= Grid point 65 (55/294) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.810 ( -4.320 14.584 10.068) 18.240 4.361 ( -1.460 28.098 11.315) 30.326 5.397 ( 7.048 -1.304 6.660) 9.784 5.760 ( 6.344 14.000 2.747) 15.614 6.832 ( 2.200 -12.303 -6.272) 13.984 7.492 ( -7.970 9.943 -9.613) 15.962 7.984 ( -3.356 -17.647 1.247) 18.007 8.415 ( 15.357 -19.320 -8.966) 26.258 8.595 ( -11.471 -9.474 3.810) 15.358 8.904 ( -8.155 8.814 5.206) 13.088 9.505 ( 8.831 -8.266 1.135) 12.149 10.028 ( -6.914 -0.925 2.901) 7.555 10.748 ( -3.758 0.971 5.759) 6.945 11.803 ( -0.254 1.990 -8.546) 8.778 11.942 ( -0.198 5.541 1.470) 5.736 12.041 ( 9.625 -2.446 -2.112) 10.153 12.518 ( -10.339 0.379 -2.502) 10.644 13.202 ( 6.460 4.690 2.259) 8.297 13.398 ( -5.076 -5.387 -1.349) 7.524 14.524 ( 0.369 -2.085 0.512) 2.178 14.844 ( 3.460 10.796 4.055) 12.041 15.921 ( -3.872 -0.993 6.762) 7.855 16.527 ( 7.673 13.158 0.108) 15.232 17.508 ( -0.420 1.275 7.195) 7.319 18.181 ( 4.595 -0.947 14.119) 14.879 18.703 ( 1.884 7.826 -8.904) 12.003 19.447 ( -0.258 -8.405 -11.316) 14.099 20.467 ( -4.147 -3.047 1.663) 5.408 20.557 ( -0.243 1.407 -2.082) 2.525 21.323 ( -1.483 -8.613 -5.371) 10.258 ======================= Grid point 66 (56/294) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.932 ( 1.978 6.677 5.095) 8.629 4.643 ( -0.256 18.843 10.540) 21.592 5.525 ( 3.410 -0.548 6.596) 7.446 6.035 ( 4.404 14.946 2.595) 15.796 6.730 ( 0.387 -5.774 -4.526) 7.346 7.378 ( -4.013 0.656 -11.357) 12.063 7.748 ( -6.614 -4.572 -6.816) 10.540 8.231 ( -17.580 -14.016 3.486) 22.752 8.475 ( 12.234 -16.219 0.371) 20.319 8.957 ( -0.176 8.716 8.221) 11.983 9.603 ( 7.883 -5.034 0.292) 9.358 9.967 ( 1.693 -1.282 -1.453) 2.573 10.789 ( 2.481 1.589 5.540) 6.275 11.641 ( -7.492 -3.087 -7.492) 11.036 11.955 ( -8.840 6.742 2.685) 11.437 12.179 ( 8.965 -0.226 -5.784) 10.671 12.422 ( 1.326 -2.422 2.158) 3.505 13.248 ( -1.958 1.808 -0.101) 2.667 13.384 ( 0.712 1.524 -0.864) 1.891 14.459 ( -0.380 -6.099 0.701) 6.151 15.060 ( 3.056 11.117 4.715) 12.456 15.891 ( -2.465 -0.785 4.953) 5.588 16.735 ( 4.595 8.933 -2.190) 10.281 17.517 ( -5.619 2.696 6.624) 9.095 18.316 ( 2.821 -3.331 14.033) 14.696 18.716 ( -3.674 10.120 -8.592) 13.774 19.364 ( 8.105 -10.229 -10.039) 16.465 20.394 ( -1.729 -1.211 -0.180) 2.119 20.559 ( 0.433 0.162 -0.642) 0.791 21.183 ( -2.841 -6.141 -3.431) 7.586 ======================= Grid point 67 (57/294) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.090 ( 9.654 1.942 1.893) 10.028 4.841 ( 0.937 9.174 7.852) 12.112 5.541 ( -3.438 -2.288 1.211) 4.304 6.168 ( -4.521 9.677 2.843) 11.053 6.659 ( -0.820 -7.972 -2.034) 8.268 7.212 ( -6.556 -3.458 -7.065) 10.240 7.572 ( -14.249 8.910 -6.965) 18.191 7.934 ( -2.909 -6.688 2.415) 7.683 8.569 ( 12.359 -8.047 3.851) 15.242 9.085 ( 0.394 2.890 7.238) 7.804 9.638 ( 3.928 -2.925 -3.123) 5.808 10.092 ( 15.664 -1.870 -3.459) 16.150 10.880 ( 3.991 -1.816 3.600) 5.673 11.497 ( -5.751 5.438 -2.869) 8.419 11.857 ( -9.132 2.921 2.512) 9.911 12.203 ( -0.276 -2.874 -4.170) 5.072 12.521 ( 9.353 -2.914 3.394) 10.368 13.246 ( -8.686 5.525 -2.416) 10.574 13.321 ( -0.288 -0.665 -1.442) 1.614 14.460 ( 5.223 -3.510 1.761) 6.535 15.154 ( -3.618 3.068 2.631) 5.424 15.898 ( 0.394 2.116 1.957) 2.909 16.818 ( 1.020 -0.640 0.181) 1.218 17.461 ( -9.417 6.538 2.668) 11.770 18.342 ( -2.106 -5.660 5.277) 8.020 18.715 ( -4.747 11.839 -1.554) 12.850 19.369 ( 11.482 -12.446 -7.546) 18.539 20.400 ( 2.766 1.323 -0.670) 3.138 20.567 ( 0.910 -0.458 0.037) 1.019 21.085 ( -2.568 -1.803 -0.577) 3.191 ======================= Grid point 68 (58/294) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.311 ( 15.382 -1.939 -0.384) 15.509 4.935 ( 0.795 -1.093 4.118) 4.334 5.381 ( -9.853 -4.689 -4.079) 11.650 6.144 ( -10.259 9.067 3.773) 14.202 6.413 ( -5.975 -20.454 -11.364) 24.150 7.085 ( -17.487 13.669 7.324) 23.373 7.487 ( 0.571 9.432 5.214) 10.792 7.987 ( 8.653 5.324 -7.015) 12.346 8.743 ( 11.566 -7.087 6.187) 14.910 9.081 ( -5.053 0.017 2.524) 5.648 9.680 ( 6.764 -4.344 -4.175) 9.058 10.360 ( 21.027 -2.883 -4.650) 21.727 10.954 ( 6.772 -1.073 -0.257) 6.861 11.494 ( -5.701 10.935 0.169) 12.333 11.756 ( -7.013 0.349 4.417) 8.296 12.052 ( -10.878 -7.229 -1.781) 13.182 12.680 ( 9.048 -0.861 3.660) 9.798 13.008 ( -16.298 3.706 -0.932) 16.740 13.442 ( 10.050 3.531 -3.019) 11.072 14.552 ( 6.306 -1.948 0.539) 6.622 15.046 ( -8.107 -3.921 0.494) 9.019 15.963 ( 2.533 4.192 -0.384) 4.913 16.754 ( -3.201 -9.706 1.658) 10.354 17.366 ( -11.305 8.629 -0.742) 14.241 18.218 ( -6.954 -4.693 -1.801) 8.580 18.754 ( -3.039 8.472 1.165) 9.075 19.425 ( 12.688 -11.073 -1.984) 16.957 20.492 ( 5.599 3.608 -2.957) 7.287 20.583 ( 1.808 -1.690 2.435) 3.473 21.054 ( -2.459 2.769 2.008) 4.213 ======================= Grid point 70 (59/294) ======================= q-point: (-0.33 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.530 ( 16.126 -7.573 -2.952) 18.058 4.883 ( -2.235 -9.446 0.004) 9.707 5.105 ( -12.040 -7.183 -4.850) 14.835 6.072 ( -3.200 -4.822 1.524) 5.985 6.088 ( -12.050 6.143 -9.915) 16.770 6.931 ( -17.541 9.453 7.515) 21.296 7.821 ( 12.835 15.896 15.705) 25.770 8.197 ( 10.885 14.067 -10.972) 20.899 8.846 ( 3.027 -7.408 3.192) 8.616 9.013 ( 0.083 -3.260 5.288) 6.212 9.692 ( 4.419 -8.068 -4.784) 10.368 10.660 ( 21.772 -3.874 -6.789) 23.133 11.081 ( 9.308 -1.652 -2.690) 9.829 11.472 ( -9.517 10.548 -2.325) 14.396 11.553 ( -24.357 -2.548 3.164) 24.693 11.795 ( -5.244 -4.246 4.298) 8.000 12.820 ( 0.464 -1.924 3.338) 3.881 12.883 ( 1.406 5.788 1.602) 6.168 13.639 ( 8.843 5.394 -2.507) 10.657 14.565 ( -1.452 -5.393 -1.349) 5.745 14.908 ( -2.060 -2.830 -0.217) 3.507 16.039 ( 1.906 4.010 -2.096) 4.910 16.572 ( -4.210 -12.750 -0.697) 13.445 17.237 ( -12.156 6.950 -1.620) 14.096 18.024 ( -8.701 -4.736 -1.723) 10.055 18.776 ( -0.685 3.119 -2.593) 4.113 19.564 ( 12.391 -5.367 4.705) 14.300 20.552 ( 1.311 1.494 -4.543) 4.959 20.677 ( 7.567 0.065 3.954) 8.538 21.063 ( -3.691 5.517 3.014) 7.290 ======================= Grid point 71 (60/294) ======================= q-point: (-0.25 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.596 ( 5.194 -17.877 -2.725) 18.814 4.710 ( -13.175 -0.013 -1.626) 13.274 4.844 ( 3.278 -13.561 -6.912) 15.570 5.950 ( -10.956 14.725 -6.822) 19.580 6.080 ( 5.857 0.433 2.111) 6.241 6.805 ( -10.780 5.382 6.145) 13.525 8.308 ( 15.683 12.679 9.533) 22.307 8.479 ( 8.705 21.069 -3.625) 23.083 8.732 ( -6.558 -4.660 -1.561) 8.195 9.139 ( 11.359 -5.021 8.182) 14.872 9.589 ( -2.729 -11.694 -2.671) 12.301 10.855 ( 0.880 -0.751 -9.631) 9.700 11.003 ( -21.026 -2.120 9.340) 23.105 11.196 ( 10.394 -8.505 -6.300) 14.834 11.534 ( 0.318 12.763 -1.169) 12.820 11.722 ( -3.681 -3.433 1.839) 5.359 12.771 ( -2.751 -4.435 0.637) 5.257 13.038 ( 5.770 3.397 3.558) 7.582 13.763 ( 0.441 5.924 -2.194) 6.333 14.485 ( 1.024 -5.216 3.124) 6.165 14.870 ( -0.841 -2.117 -3.535) 4.206 16.043 ( -3.184 3.486 -6.316) 7.886 16.423 ( 0.891 -9.743 -0.276) 9.788 17.088 ( -10.332 4.876 -2.245) 11.643 17.834 ( -7.647 -5.252 1.794) 9.449 18.756 ( 1.081 -2.226 -6.681) 7.125 19.786 ( 11.160 0.885 9.589) 14.740 20.550 ( 0.488 0.272 -2.719) 2.776 20.836 ( 8.413 0.412 1.921) 8.639 21.054 ( -5.922 5.396 1.889) 8.231 ======================= Grid point 72 (61/294) ======================= q-point: (-0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.326 ( -18.805 -4.657 2.839) 19.580 4.508 ( -6.043 -6.633 -2.864) 9.419 4.837 ( 12.102 -12.362 -8.131) 19.115 5.906 ( -8.212 16.398 -2.481) 18.506 6.305 ( 18.175 0.677 0.759) 18.204 6.740 ( -5.904 3.447 3.164) 7.533 8.560 ( -4.715 -4.529 2.013) 6.841 8.606 ( 3.732 13.485 -11.190) 17.916 8.826 ( 6.183 -2.307 8.776) 10.980 9.149 ( -8.815 7.559 -8.389) 14.325 9.587 ( 12.789 -3.629 19.640) 23.716 10.564 ( -19.187 4.746 8.905) 21.679 10.920 ( -3.313 -4.466 1.869) 5.866 11.302 ( 14.438 -5.496 -14.551) 21.222 11.624 ( -1.645 -2.341 -0.993) 3.028 11.692 ( 5.477 5.744 -2.055) 8.198 12.620 ( -7.226 -8.426 -1.303) 11.176 13.154 ( 3.534 0.549 1.642) 3.936 13.786 ( -2.505 7.011 0.051) 7.445 14.523 ( 2.216 -3.801 5.880) 7.344 14.784 ( -1.012 -4.049 -4.558) 6.180 15.969 ( -3.907 6.321 -9.647) 12.177 16.366 ( -2.094 -5.248 3.022) 6.407 16.983 ( -4.159 2.889 -3.141) 5.959 17.705 ( -4.045 -4.858 5.298) 8.248 18.691 ( 1.888 -5.953 -9.370) 11.261 20.062 ( 10.028 5.157 12.119) 16.554 20.544 ( 0.243 -0.093 -1.526) 1.548 20.971 ( -5.281 5.208 6.000) 9.540 20.991 ( 5.033 -2.373 -6.678) 8.692 ======================= Grid point 73 (62/294) ======================= q-point: (-0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.008 ( -21.161 4.327 6.096) 22.442 4.291 ( -15.274 -0.150 0.101) 15.275 4.882 ( 12.430 -11.905 -6.687) 18.465 5.964 ( 0.872 8.045 0.175) 8.094 6.677 ( 22.398 3.064 0.048) 22.607 6.697 ( -1.830 0.165 -2.122) 2.807 8.343 ( -23.118 -0.959 2.479) 23.270 8.538 ( -7.746 -1.744 -4.445) 9.100 8.768 ( 4.037 5.945 -8.933) 11.465 9.307 ( 8.705 -0.561 8.165) 11.948 9.968 ( 12.214 6.085 20.398) 24.542 10.470 ( -6.388 6.235 10.166) 13.529 10.792 ( -7.920 -3.041 0.714) 8.514 11.307 ( 1.997 -3.556 -13.930) 14.515 11.639 ( 11.246 -7.207 -5.007) 14.265 11.794 ( 2.115 4.106 -4.914) 6.744 12.408 ( -6.554 -5.880 -0.879) 8.849 13.188 ( 0.551 -0.441 -1.046) 1.262 13.842 ( -0.428 8.384 2.300) 8.704 14.472 ( -2.126 -9.350 1.495) 9.705 14.763 ( 1.521 -1.207 0.327) 1.969 15.938 ( -2.317 8.770 -7.881) 12.017 16.263 ( -8.843 -1.826 5.603) 10.627 16.962 ( 0.808 1.144 -2.367) 2.750 17.673 ( 0.678 -3.468 6.229) 7.162 18.602 ( 2.585 -7.010 -10.405) 12.809 20.350 ( 8.083 6.470 11.967) 15.824 20.537 ( -0.166 -0.472 -0.263) 0.565 20.827 ( -10.652 0.603 -2.799) 11.030 21.104 ( 8.836 -1.475 -3.133) 9.491 ======================= Grid point 76 (63/294) ======================= q-point: ( 0.08 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.057 ( -7.297 13.711 1.933) 15.652 4.409 ( -18.368 15.999 12.254) 27.267 4.661 ( 16.418 -10.565 -4.637) 20.066 6.036 ( -3.560 -2.694 3.716) 5.809 6.453 ( -0.568 -10.421 -3.215) 10.920 6.921 ( 13.105 -6.530 -5.734) 15.725 8.476 ( -0.359 15.842 -3.458) 16.219 8.528 ( -0.602 6.312 9.898) 11.755 8.751 ( 0.608 -8.097 4.274) 9.176 9.262 ( -1.494 -3.544 -1.214) 4.033 9.969 ( -12.596 -15.808 -13.704) 24.420 10.703 ( -8.712 4.860 11.095) 14.920 10.780 ( 16.144 3.480 -8.502) 18.575 11.195 ( -2.143 -6.475 5.353) 8.670 11.483 ( 2.326 6.067 -2.806) 7.077 11.801 ( -0.028 -4.901 2.004) 5.295 12.447 ( 5.985 8.658 -1.197) 10.593 13.168 ( -1.038 1.609 -2.468) 3.124 13.940 ( 1.135 -8.713 0.785) 8.821 14.419 ( 1.701 8.814 2.031) 9.204 14.712 ( -4.240 0.182 -1.072) 4.377 15.990 ( 1.310 -6.704 8.553) 10.946 16.249 ( -6.443 8.247 -0.333) 10.471 17.016 ( 5.912 -1.623 0.980) 6.209 17.711 ( 3.895 0.491 -3.268) 5.108 18.481 ( 0.375 4.050 3.800) 5.566 20.333 ( -9.978 -6.795 -11.115) 16.409 20.531 ( -0.291 -0.187 0.695) 0.776 20.831 ( -3.204 4.745 8.105) 9.923 21.127 ( 9.032 -3.733 -4.596) 10.800 ======================= Grid point 77 (64/294) ======================= q-point: ( 0.17 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.089 ( -12.456 23.751 4.767) 27.240 4.385 ( -13.927 19.313 13.765) 27.503 4.829 ( 16.438 -7.965 -1.345) 18.316 5.881 ( -13.250 1.361 3.086) 13.672 6.463 ( 18.197 -22.309 0.232) 28.790 7.030 ( 14.207 -5.531 -10.639) 18.591 8.442 ( -14.965 1.848 3.405) 15.458 8.626 ( 5.025 0.849 5.360) 7.396 8.781 ( -0.244 0.344 -0.512) 0.663 9.167 ( -7.404 -1.173 -3.366) 8.217 9.557 ( -6.351 -10.783 -10.648) 16.431 10.636 ( -14.781 5.757 13.099) 20.572 11.033 ( 5.990 3.209 -2.598) 7.275 11.149 ( 13.078 -6.763 -1.844) 14.838 11.593 ( 1.816 7.659 1.606) 8.034 11.764 ( 4.371 -8.293 -2.203) 9.629 12.642 ( 5.928 9.703 -1.767) 11.507 13.130 ( -2.745 0.003 -4.299) 5.101 13.870 ( -0.864 -9.152 3.342) 9.781 14.440 ( -6.026 5.138 -4.115) 8.924 14.734 ( 2.190 5.052 4.963) 7.413 16.021 ( 2.755 -5.365 10.018) 11.693 16.218 ( -7.598 10.655 1.517) 13.174 17.142 ( 9.910 -2.553 2.258) 10.480 17.794 ( 7.018 1.723 -3.064) 7.850 18.567 ( 0.098 6.134 5.591) 8.300 20.012 ( -11.379 -6.634 -12.267) 17.999 20.530 ( -0.336 -0.446 1.758) 1.844 20.804 ( -7.049 2.379 2.859) 7.970 21.220 ( 9.669 -6.019 -4.860) 12.383 ======================= Grid point 78 (65/294) ======================= q-point: ( 0.25 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.151 ( -13.448 22.734 8.712) 27.813 4.485 ( -6.704 23.441 8.813) 25.925 5.038 ( 14.717 -3.889 2.242) 15.386 5.754 ( -7.380 6.153 5.362) 11.003 6.528 ( 15.697 -24.520 -0.569) 29.120 7.201 ( 20.174 -5.095 -11.162) 23.612 8.170 ( -14.466 -5.958 -0.622) 15.657 8.534 ( -10.161 -22.191 -3.234) 24.620 8.761 ( 0.897 4.229 -1.493) 4.574 9.011 ( -3.078 4.686 -6.108) 8.292 9.476 ( -2.987 3.758 4.371) 6.492 10.466 ( -18.548 3.658 9.974) 21.375 10.984 ( -7.485 0.687 5.474) 9.298 11.512 ( 24.412 2.540 -3.472) 24.788 11.679 ( 5.393 -2.748 1.338) 6.199 11.785 ( 5.645 -1.181 -5.634) 8.062 12.781 ( 2.523 5.997 -2.892) 7.120 13.018 ( -3.973 -2.265 -5.895) 7.461 13.732 ( -8.866 -9.364 5.372) 13.970 14.435 ( 1.628 7.989 -1.541) 8.298 14.821 ( -0.440 3.418 3.207) 4.707 16.051 ( -2.027 -2.531 6.233) 7.026 16.294 ( 2.665 12.629 3.756) 13.442 17.309 ( 10.730 -3.475 3.849) 11.918 17.938 ( 8.520 2.402 0.246) 8.855 18.662 ( -0.035 6.467 5.273) 8.345 19.689 ( -11.202 -5.070 -12.111) 17.259 20.532 ( -0.374 -1.073 2.832) 3.052 20.700 ( -7.360 0.902 -1.125) 7.499 21.252 ( 5.738 -7.857 -5.321) 11.090 ======================= Grid point 79 (66/294) ======================= q-point: ( 0.33 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.142 ( -13.108 12.429 6.289) 19.127 4.693 ( -2.234 22.124 5.491) 22.905 5.267 ( 11.871 -0.135 5.314) 13.007 5.857 ( 2.251 15.906 7.818) 17.866 6.519 ( 10.902 -20.069 -2.363) 22.961 7.417 ( 16.207 -5.982 -11.854) 20.951 7.879 ( -3.842 -14.656 -4.028) 15.677 8.119 ( -9.971 -15.308 -4.848) 18.901 8.717 ( -7.654 1.030 -2.702) 8.182 9.061 ( 2.814 3.618 0.491) 4.610 9.487 ( -5.338 5.771 7.486) 10.855 10.240 ( -16.310 1.474 6.434) 17.595 10.892 ( -7.809 1.255 5.101) 9.411 11.739 ( 6.287 -11.344 -3.488) 13.430 11.784 ( 7.325 3.922 -4.280) 9.346 11.920 ( 11.870 5.449 -0.277) 13.063 12.712 ( -11.093 2.269 -5.575) 12.621 13.047 ( 11.848 -0.075 -1.283) 11.917 13.497 ( -11.200 -7.121 4.323) 13.958 14.528 ( -0.428 1.716 0.498) 1.837 14.897 ( 3.819 8.479 2.193) 9.555 16.003 ( -3.729 -2.869 4.731) 6.672 16.532 ( 6.761 13.499 0.355) 15.101 17.463 ( 8.517 -4.569 5.176) 10.963 18.116 ( 8.176 1.703 4.148) 9.325 18.754 ( 0.640 6.027 3.500) 6.999 19.403 ( -9.516 -3.008 -10.865) 14.753 20.516 ( -2.825 -3.593 4.628) 6.504 20.587 ( -4.150 2.166 -4.377) 6.408 21.206 ( 1.974 -7.777 -4.963) 9.434 ======================= Grid point 80 (67/294) ======================= q-point: ( 0.42 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.063 ( -8.184 4.800 2.344) 9.773 4.852 ( -1.663 11.396 3.295) 11.979 5.475 ( 7.388 1.152 5.422) 9.237 6.159 ( 3.975 19.514 5.410) 20.637 6.514 ( 9.411 -11.854 -1.345) 15.195 7.332 ( -4.197 -8.429 -11.743) 15.052 7.795 ( 1.173 -12.731 6.407) 14.300 7.970 ( 14.686 -6.791 -11.811) 20.033 8.503 ( -16.077 -0.859 0.543) 16.109 9.117 ( -1.855 4.431 0.933) 4.893 9.523 ( -0.046 3.343 6.132) 6.984 10.039 ( -11.123 -0.798 2.681) 11.469 10.839 ( -3.007 2.326 2.841) 4.746 11.641 ( -2.006 -6.606 -4.832) 8.426 11.937 ( 11.775 -2.351 -3.722) 12.571 12.095 ( 1.933 4.070 3.178) 5.514 12.509 ( -10.641 2.976 -4.458) 11.915 13.276 ( 9.787 -0.678 3.147) 10.302 13.318 ( -3.503 -2.027 0.321) 4.059 14.463 ( -4.375 -2.012 -0.547) 4.847 15.102 ( 5.993 8.374 2.025) 10.495 15.942 ( -2.701 -2.828 3.154) 5.024 16.734 ( 3.961 9.200 -2.416) 10.304 17.561 ( 4.604 -4.048 4.655) 7.698 18.274 ( 5.472 0.437 4.578) 7.148 18.837 ( 0.805 4.569 1.642) 4.921 19.196 ( -5.509 -1.408 -7.369) 9.308 20.428 ( -4.035 -2.449 0.971) 4.819 20.559 ( -0.584 0.990 -1.179) 1.646 21.131 ( 0.126 -4.914 -3.083) 5.803 ======================= Grid point 81 (68/294) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.020 ( 0.000 0.000 0.000) 0.000 4.902 ( -0.000 0.000 0.000) 0.000 5.565 ( -0.000 0.000 0.000) 0.000 6.306 ( -0.000 0.000 0.000) 0.000 6.561 ( -0.000 0.000 0.000) 0.000 7.199 ( 0.000 0.000 0.000) 0.000 7.746 ( -0.000 0.000 -0.000) 0.000 8.125 ( -0.000 0.000 0.000) 0.000 8.276 ( 0.000 0.000 0.000) 0.000 9.116 ( 0.000 0.000 0.000) 0.000 9.583 ( 0.000 0.000 0.000) 0.000 9.927 ( -0.000 0.000 0.000) 0.000 10.845 ( 0.000 0.000 0.000) 0.000 11.562 ( 0.000 0.000 0.000) 0.000 12.037 ( 0.000 0.000 0.000) 0.000 12.126 ( -0.000 0.000 0.000) 0.000 12.409 ( -0.000 0.000 0.000) 0.000 13.247 ( -0.000 0.000 0.000) 0.000 13.413 ( -0.000 0.000 0.000) 0.000 14.404 ( 0.000 0.000 0.000) 0.000 15.209 ( 0.000 0.000 0.000) 0.000 15.911 ( 0.000 0.000 0.000) 0.000 16.804 ( -0.000 0.000 0.000) 0.000 17.595 ( 0.000 0.000 0.000) 0.000 18.339 ( -0.000 0.000 0.000) 0.000 18.874 ( 0.000 -0.000 0.000) 0.000 19.118 ( -0.000 0.000 0.000) 0.000 20.382 ( 0.000 0.000 0.000) 0.000 20.556 ( -0.000 0.000 0.000) 0.000 21.097 ( -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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -0.000 0.000 41.299) 41.299 0.754 ( -0.000 0.000 41.299) 41.299 1.382 ( -0.000 0.000 75.168) 75.168 5.881 ( 0.000 -0.000 -0.638) 0.638 8.160 ( 0.000 -0.000 -25.476) 25.476 8.160 ( 0.000 -0.000 -25.476) 25.476 8.853 ( 0.000 -0.000 -9.975) 9.975 9.293 ( -0.000 0.000 14.794) 14.794 9.293 ( -0.000 0.000 14.794) 14.794 9.564 ( -0.000 0.000 10.124) 10.124 9.564 ( -0.000 0.000 10.124) 10.124 10.625 ( 0.000 -0.000 -4.646) 4.646 10.625 ( 0.000 -0.000 -4.646) 4.646 11.118 ( -0.000 0.000 6.554) 6.554 11.118 ( -0.000 0.000 6.554) 6.554 11.520 ( -0.000 0.000 4.057) 4.057 12.776 ( 0.000 -0.000 -10.554) 10.554 13.176 ( -0.000 0.000 2.961) 2.961 13.717 ( 0.000 -0.000 -1.797) 1.797 13.717 ( 0.000 -0.000 -1.797) 1.797 14.759 ( 0.000 -0.000 -1.615) 1.615 14.759 ( 0.000 -0.000 -1.615) 1.615 17.018 ( -0.000 0.000 5.283) 5.283 17.018 ( -0.000 0.000 5.283) 5.283 17.448 ( 0.000 -0.000 -0.438) 0.438 18.719 ( 0.000 -0.000 -0.069) 0.069 20.504 ( 0.000 -0.000 -2.777) 2.777 20.504 ( 0.000 -0.000 -2.777) 2.777 20.529 ( -0.000 0.000 2.967) 2.967 21.683 ( 0.000 -0.000 -1.371) 1.371 ======================= Grid point 163 (70/294) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 17.140 30.467 25.184) 43.085 1.507 ( 22.117 12.263 40.471) 47.723 2.359 ( 50.715 19.283 50.031) 73.803 5.821 ( -4.728 -2.522 -0.633) 5.396 7.739 ( -16.154 -4.084 -24.445) 29.584 8.063 ( 1.371 -8.567 -21.432) 23.122 8.716 ( -5.317 -6.269 -10.100) 13.022 9.135 ( -17.793 -8.115 9.927) 21.931 9.303 ( -8.224 -3.877 13.103) 15.949 9.497 ( -4.424 6.317 5.672) 9.573 9.943 ( 14.672 4.136 18.011) 23.595 10.058 ( -16.115 -12.434 34.160) 39.764 10.547 ( 4.039 -3.089 -6.745) 8.447 10.946 ( -5.218 5.860 -3.483) 8.585 11.328 ( 6.644 8.761 8.136) 13.679 12.180 ( 22.820 3.319 -12.010) 26.000 12.644 ( -5.717 -2.949 -11.074) 12.807 13.022 ( -9.583 -4.716 5.808) 12.158 13.778 ( 7.401 -4.747 -1.371) 8.898 13.862 ( 9.349 13.123 -1.940) 16.229 14.694 ( -3.078 2.529 -5.250) 6.591 15.078 ( 15.076 6.006 -11.887) 20.116 16.851 ( -15.747 -6.225 11.693) 20.578 17.034 ( 0.672 -2.812 5.608) 6.309 17.555 ( 7.604 4.524 0.710) 8.877 18.878 ( 6.527 5.723 -12.374) 15.115 20.430 ( -5.832 2.909 -4.503) 7.921 20.500 ( 1.626 -0.551 -3.368) 3.781 20.549 ( -0.215 0.159 3.713) 3.722 21.707 ( 3.296 -3.134 -3.877) 5.976 ======================= Grid point 164 (71/294) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 23.473 33.344 14.815) 43.386 2.219 ( 21.036 12.838 37.262) 44.674 3.749 ( 56.841 23.098 29.273) 67.980 5.684 ( -7.243 -3.309 0.068) 7.963 7.313 ( -13.385 -3.305 -18.220) 22.849 7.830 ( -1.330 -15.383 -14.515) 21.191 8.446 ( -14.900 -9.241 -3.679) 17.914 8.777 ( -14.436 -9.485 2.705) 17.484 9.181 ( -7.395 -6.057 6.377) 11.491 9.547 ( -6.225 12.788 6.199) 15.515 10.072 ( -2.718 2.469 18.813) 19.168 10.266 ( 12.738 -5.492 12.779) 18.860 10.589 ( 8.293 -4.402 -5.563) 10.913 10.953 ( -6.098 17.009 3.508) 18.407 11.566 ( 9.094 2.255 3.666) 10.061 12.350 ( 9.748 -6.581 -8.213) 14.345 12.420 ( -8.324 -4.069 -10.172) 13.760 12.932 ( -2.326 1.404 4.920) 5.620 13.824 ( 7.462 -9.644 -1.329) 12.266 14.177 ( 8.867 18.023 0.393) 20.090 14.635 ( -3.847 5.070 -7.803) 10.069 15.235 ( 9.748 -0.393 -5.162) 11.037 16.597 ( -15.694 -6.082 14.109) 21.962 17.055 ( 0.931 -2.730 5.291) 6.026 17.733 ( 6.326 3.690 3.546) 8.137 18.860 ( -2.577 1.946 -13.782) 14.156 20.343 ( -5.138 5.859 -6.023) 9.849 20.504 ( 1.710 -0.297 -3.363) 3.784 20.571 ( -0.229 0.210 4.279) 4.291 21.665 ( 0.913 -7.422 -4.366) 8.659 ======================= Grid point 165 (72/294) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 22.837 28.608 10.514) 38.085 2.919 ( 22.707 14.052 29.718) 39.953 4.918 ( 37.210 17.049 12.616) 42.829 5.558 ( -3.192 -0.044 1.217) 3.417 7.068 ( -1.403 -1.080 -8.777) 8.954 7.557 ( -4.687 -17.807 -7.074) 19.725 7.966 ( -23.520 -13.704 0.036) 27.221 8.588 ( -2.276 -4.803 -0.701) 5.361 9.021 ( -6.507 -7.468 2.089) 10.123 9.583 ( -7.611 11.970 3.225) 14.547 10.157 ( -1.898 4.849 10.663) 11.867 10.409 ( 0.613 3.222 0.526) 3.321 10.687 ( 13.403 -8.825 2.957) 16.317 11.077 ( -4.364 13.995 7.855) 16.632 11.677 ( 5.909 -5.067 -1.731) 7.974 12.175 ( -9.188 -3.188 -11.354) 14.950 12.352 ( 4.390 -7.693 -3.806) 9.641 12.991 ( 1.789 4.320 0.513) 4.704 13.860 ( 9.820 -10.147 0.897) 14.149 14.464 ( 2.989 16.518 3.272) 17.102 14.557 ( -5.415 5.101 -9.306) 11.914 15.407 ( 14.118 0.112 -0.537) 14.129 16.402 ( -12.742 -3.052 16.396) 20.988 17.070 ( 0.737 -3.356 4.439) 5.614 17.862 ( 2.113 0.979 6.908) 7.290 18.693 ( -7.113 0.019 -15.064) 16.659 20.313 ( -1.914 8.768 -7.427) 11.649 20.509 ( 1.626 -0.518 -2.818) 3.295 20.600 ( 0.593 -0.217 5.082) 5.121 21.543 ( -2.154 -9.514 -4.995) 10.959 ======================= Grid point 166 (73/294) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.432 ( 19.097 20.094 8.753) 29.070 3.603 ( 22.788 15.229 21.300) 34.712 5.187 ( -9.631 -2.005 2.600) 10.175 5.770 ( 14.011 10.721 -3.020) 17.899 7.020 ( -7.544 -14.530 -3.897) 16.829 7.245 ( -8.392 -8.578 -3.545) 12.513 7.677 ( 8.523 -3.432 5.777) 10.854 8.542 ( -0.397 -2.513 1.585) 2.997 8.864 ( -3.072 -7.503 -1.139) 8.187 9.554 ( -9.985 8.916 2.172) 13.561 10.256 ( -0.591 8.252 7.944) 11.469 10.418 ( -2.185 10.391 -7.769) 13.157 10.840 ( 8.932 -15.567 11.286) 21.201 11.100 ( -3.023 4.186 -2.553) 5.760 11.734 ( 5.462 -1.549 3.815) 6.840 11.888 ( -13.088 -3.479 -12.544) 18.459 12.317 ( 1.564 -4.867 -2.104) 5.528 13.046 ( 3.373 0.989 -4.330) 5.578 13.969 ( 10.197 -7.889 3.611) 13.389 14.438 ( -8.215 4.912 -6.271) 11.443 14.635 ( 0.833 9.757 2.039) 10.003 15.700 ( 17.242 2.946 1.551) 17.560 16.314 ( -9.456 1.896 17.807) 20.251 17.062 ( -0.050 -4.537 3.133) 5.514 17.886 ( -4.495 -1.599 6.530) 8.087 18.491 ( -4.698 -0.598 -12.268) 13.151 20.347 ( -0.037 11.151 -9.624) 14.730 20.514 ( 1.509 -0.801 -2.395) 2.942 20.658 ( 3.074 -0.776 6.610) 7.331 21.356 ( -4.835 -9.957 -5.328) 12.284 ======================= Grid point 167 (74/294) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.897 ( 11.899 11.801 4.485) 17.348 4.215 ( 20.674 11.341 16.486) 28.772 4.890 ( -19.659 -6.324 -0.913) 20.671 6.032 ( 7.865 5.837 1.314) 9.882 6.617 ( -12.636 -7.167 -3.204) 14.876 6.986 ( -8.533 -11.754 -3.640) 14.974 8.077 ( 22.857 4.167 0.036) 23.234 8.519 ( -0.936 -2.574 2.976) 4.045 8.787 ( 2.539 -6.003 -0.492) 6.536 9.450 ( -12.097 5.163 2.760) 13.439 10.276 ( -14.033 17.600 -8.088) 23.918 10.560 ( 12.236 -0.475 2.945) 12.595 10.715 ( -4.583 -11.306 -1.482) 12.290 11.169 ( 9.087 -3.923 2.080) 10.114 11.549 ( -14.646 0.112 -8.015) 16.696 11.853 ( 3.964 -1.049 9.498) 10.346 12.314 ( 2.376 -0.292 -1.388) 2.767 13.085 ( 4.550 -0.039 -5.348) 7.022 14.021 ( 0.848 -5.029 0.425) 5.118 14.343 ( -1.947 0.498 -2.425) 3.150 14.721 ( -0.257 5.279 0.599) 5.319 15.987 ( 11.498 -1.304 4.308) 12.347 16.328 ( -7.132 7.558 15.379) 18.561 17.021 ( -1.012 -4.692 2.387) 5.361 17.759 ( -8.745 -1.258 -2.293) 9.128 18.425 ( 2.549 -1.160 -0.489) 2.842 20.390 ( -0.546 11.008 -11.365) 15.831 20.514 ( 1.275 -1.184 -2.422) 2.982 20.775 ( 6.110 -1.032 7.752) 9.924 21.144 ( -5.602 -7.471 -4.958) 10.573 ======================= Grid point 168 (75/294) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.045 ( -4.383 -2.168 0.030) 4.890 4.428 ( -20.720 -10.104 -1.245) 23.086 4.717 ( 15.499 6.836 11.892) 20.697 6.057 ( -2.978 -3.865 1.523) 5.111 6.649 ( 7.155 8.593 3.585) 11.743 6.778 ( -0.906 1.657 -2.151) 2.863 8.270 ( 0.998 -4.497 -7.884) 9.131 8.532 ( 0.454 -2.425 4.160) 4.837 8.800 ( 5.235 -6.526 0.222) 8.369 9.308 ( -8.305 2.639 1.435) 8.831 10.054 ( -12.174 5.992 -20.198) 24.333 10.486 ( -3.784 -1.833 -9.101) 10.026 10.778 ( 0.337 -0.978 2.432) 2.642 11.301 ( 7.248 -5.051 7.186) 11.388 11.466 ( 7.257 6.404 2.959) 10.121 11.941 ( 0.176 -0.983 11.463) 11.507 12.350 ( -0.009 2.724 0.194) 2.730 13.142 ( 4.554 1.180 -3.436) 5.825 13.938 ( -3.893 -1.046 -4.371) 5.946 14.335 ( 2.171 -3.444 0.224) 4.077 14.739 ( -0.100 0.694 -1.500) 1.656 16.088 ( 1.168 -5.581 7.790) 9.654 16.320 ( -11.456 2.880 7.855) 14.186 16.995 ( -0.386 -0.272 2.410) 2.456 17.624 ( -2.567 1.481 -5.817) 6.529 18.524 ( 7.086 -0.909 7.833) 10.602 20.400 ( -1.406 9.115 -12.203) 15.296 20.504 ( 1.123 -1.638 -2.864) 3.485 20.825 ( -2.146 -9.535 4.349) 10.697 21.081 ( 5.068 5.176 -0.063) 7.244 ======================= Grid point 169 (76/294) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.665 ( -26.988 -11.423 -4.310) 29.621 3.994 ( -17.672 -18.331 2.728) 25.607 5.037 ( 9.773 3.325 5.883) 11.882 6.003 ( -3.067 -0.760 -0.505) 3.200 6.774 ( 10.359 3.629 4.095) 11.715 7.131 ( 13.700 21.507 5.492) 26.085 7.912 ( -25.298 -15.817 -5.179) 30.282 8.482 ( -1.212 -2.416 1.393) 3.041 8.845 ( 6.588 -4.005 -1.510) 7.856 9.306 ( 4.874 1.699 -4.928) 7.136 9.873 ( 0.710 2.373 -18.950) 19.111 10.358 ( -4.077 1.095 -11.546) 12.293 10.707 ( -7.689 4.518 -0.719) 8.947 11.352 ( 0.507 -8.514 10.419) 13.465 11.801 ( 15.917 1.538 5.217) 16.821 12.016 ( 0.940 4.420 12.303) 13.107 12.359 ( -2.908 4.061 1.154) 5.126 13.184 ( 0.114 -0.544 -1.029) 1.170 13.851 ( -2.729 1.852 -7.180) 7.901 14.331 ( 2.401 -4.654 -0.567) 5.267 14.748 ( 3.193 -0.951 -0.702) 3.405 16.021 ( -5.810 -8.522 -3.403) 10.861 16.116 ( -15.795 -0.322 13.627) 20.863 17.010 ( -0.288 1.194 0.777) 1.453 17.641 ( 3.481 3.407 -2.596) 5.519 18.720 ( 9.406 0.228 10.416) 14.036 20.373 ( -1.853 6.624 -12.312) 14.103 20.487 ( 1.055 -1.561 -3.538) 4.008 20.695 ( -3.915 -7.477 3.400) 9.099 21.285 ( 8.675 6.970 2.245) 11.353 ======================= Grid point 170 (77/294) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( -33.178 -13.493 -2.548) 35.908 3.436 ( -25.529 -25.393 3.438) 36.171 5.185 ( 0.828 -0.062 2.007) 2.172 5.768 ( -21.956 -10.387 -2.506) 24.418 7.124 ( 18.516 10.481 0.300) 21.279 7.297 ( -10.893 -7.470 1.424) 13.285 7.694 ( 14.277 19.339 7.258) 25.109 8.499 ( 3.813 -0.310 0.631) 3.877 8.909 ( 4.545 -0.278 -1.863) 4.920 9.361 ( 6.036 -2.199 -9.537) 11.499 9.856 ( 6.536 -3.348 -10.695) 12.974 10.240 ( -5.862 5.834 -10.162) 13.102 10.642 ( -6.067 8.163 -1.692) 10.311 11.271 ( -3.093 -15.307 9.029) 18.039 11.955 ( -0.967 -1.482 9.153) 9.322 12.221 ( 3.980 10.055 4.458) 11.697 12.374 ( 2.785 0.532 0.791) 2.943 13.097 ( -5.816 -5.058 -1.607) 7.874 13.787 ( -3.187 4.083 -7.231) 8.895 14.328 ( 3.458 -5.954 -0.749) 6.927 14.831 ( 5.581 0.860 1.959) 5.977 15.727 ( -14.412 -5.392 -0.191) 15.389 16.021 ( -4.316 -0.723 6.635) 7.949 17.014 ( -0.214 -0.210 0.694) 0.756 17.722 ( 2.520 2.329 -0.150) 3.435 18.947 ( 8.966 1.161 9.212) 12.907 20.331 ( -0.927 4.539 -9.934) 10.962 20.470 ( 1.098 -0.785 -4.032) 4.252 20.608 ( -2.321 -4.098 2.991) 5.579 21.499 ( 7.652 5.717 1.695) 9.700 ======================= Grid point 171 (78/294) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -35.846 -13.988 3.208) 38.612 2.711 ( -32.605 -27.392 4.754) 42.849 4.580 ( -54.320 -29.650 -2.902) 61.953 5.538 ( 4.797 3.046 -0.107) 5.684 7.320 ( 13.445 4.703 -3.243) 14.608 7.563 ( 18.227 11.339 2.457) 21.607 8.199 ( 15.509 16.135 11.009) 24.941 8.607 ( 7.651 2.379 0.029) 8.012 8.966 ( 2.480 2.700 -2.710) 4.559 9.346 ( 3.395 -4.408 -10.410) 11.803 9.840 ( 3.080 -8.898 -4.079) 10.262 10.141 ( -9.858 7.078 -2.171) 12.329 10.663 ( -1.041 11.764 -2.168) 12.007 11.092 ( -2.619 -19.181 6.191) 20.324 11.830 ( -16.607 -2.835 4.720) 17.496 12.370 ( 4.764 6.486 -2.327) 8.377 12.487 ( 7.904 -0.041 3.278) 8.557 12.912 ( -7.155 -5.694 -1.943) 9.349 13.737 ( -2.155 3.569 -6.838) 8.008 14.291 ( -0.681 -6.907 -1.241) 7.050 14.929 ( 0.821 0.961 5.444) 5.589 15.498 ( -9.060 -2.270 3.873) 10.112 16.063 ( 6.217 3.655 0.300) 7.218 17.011 ( -0.339 -1.067 1.945) 2.244 17.746 ( -1.266 -0.234 0.707) 1.469 19.130 ( 5.685 1.453 4.955) 7.680 20.327 ( 1.432 4.520 -6.805) 8.294 20.463 ( 1.369 -0.012 -3.542) 3.797 20.564 ( -1.264 -2.029 1.650) 2.905 21.663 ( 5.709 3.047 0.704) 6.509 ======================= Grid point 172 (79/294) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -36.562 -12.434 16.339) 41.933 1.894 ( -38.503 -24.672 8.109) 46.443 3.190 ( -65.640 -40.509 2.561) 77.176 5.696 ( 7.314 4.395 -0.217) 8.536 7.654 ( 18.635 12.732 -10.833) 25.034 7.982 ( 19.373 5.633 3.412) 20.461 8.595 ( 11.466 5.735 7.496) 14.851 8.811 ( 9.398 8.844 2.019) 13.062 9.015 ( 0.864 5.205 -1.900) 5.609 9.279 ( 0.348 -4.980 -4.835) 6.950 9.734 ( -4.223 -6.949 -1.777) 8.323 9.996 ( -13.052 -2.394 11.169) 17.345 10.792 ( -1.127 15.216 2.335) 15.435 10.931 ( 4.073 -18.300 0.911) 18.770 11.460 ( -21.319 -5.018 -1.820) 21.977 12.454 ( 2.652 -0.239 -4.581) 5.298 12.659 ( 8.383 1.724 2.983) 9.063 12.783 ( -1.168 -0.508 -1.541) 1.999 13.703 ( -0.327 1.704 -5.213) 5.494 14.140 ( -8.239 -6.851 -1.663) 10.844 14.920 ( -5.569 -0.704 6.190) 8.356 15.415 ( -1.710 -1.229 -0.805) 2.255 16.304 ( 13.955 8.244 1.557) 16.283 17.006 ( -0.556 -1.428 3.231) 3.576 17.682 ( -5.120 -2.681 0.803) 5.835 19.210 ( 1.178 0.959 -2.902) 3.275 20.378 ( 2.462 6.242 -5.656) 8.776 20.475 ( 1.683 0.144 -1.162) 2.050 20.541 ( -0.640 -0.788 0.446) 1.109 21.756 ( 3.990 -0.635 -0.760) 4.111 ======================= Grid point 175 (80/294) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 17.961 32.033 28.342) 46.390 1.755 ( -2.878 31.097 35.202) 47.059 2.615 ( -8.013 35.867 58.060) 68.714 5.819 ( 0.246 -5.097 -0.462) 5.124 7.557 ( 2.849 -17.023 -25.773) 31.019 7.951 ( -6.046 1.387 -23.319) 24.130 8.655 ( -2.408 -4.393 -12.874) 13.814 9.246 ( 0.649 -12.964 8.537) 15.536 9.431 ( 0.536 -10.061 14.154) 17.373 9.517 ( 10.202 -4.205 6.887) 13.008 9.809 ( -6.434 -13.188 20.251) 25.009 10.286 ( -1.406 2.082 17.166) 17.349 10.794 ( -9.201 9.916 -1.507) 13.611 11.029 ( 1.888 -7.877 3.448) 8.803 11.076 ( 14.101 5.524 3.884) 15.634 12.134 ( -8.360 19.611 -8.908) 23.105 12.608 ( 0.086 0.230 -10.064) 10.067 13.029 ( 0.443 -13.383 4.617) 14.164 13.675 ( -2.746 -2.294 -1.927) 4.064 13.859 ( 2.329 12.386 -1.821) 12.734 14.843 ( 11.052 7.895 -4.625) 14.348 14.948 ( -10.019 18.981 -11.240) 24.228 16.859 ( 1.720 -19.198 9.987) 21.708 17.130 ( -1.843 1.412 9.203) 9.491 17.553 ( 0.023 8.957 0.561) 8.975 18.833 ( 1.524 8.286 -8.908) 12.261 20.367 ( 4.956 -7.761 -5.102) 10.528 20.478 ( -1.332 0.817 -3.758) 4.070 20.571 ( 0.156 -0.762 4.544) 4.610 21.691 ( -3.731 1.709 -3.874) 5.643 ======================= Grid point 176 (81/294) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 10.764 35.749 24.691) 44.761 2.367 ( 11.895 28.689 30.728) 43.690 3.474 ( 29.389 35.819 41.643) 62.296 5.737 ( -3.469 -5.421 0.649) 6.468 7.247 ( -2.322 -14.343 -23.458) 27.593 7.676 ( -7.900 -5.930 -16.963) 19.629 8.477 ( -4.376 -4.159 -10.080) 11.750 8.993 ( -17.633 -15.010 5.226) 23.739 9.291 ( -8.504 -10.685 8.154) 15.905 9.720 ( -2.802 1.650 8.323) 8.936 9.817 ( 19.949 -18.630 17.650) 32.505 10.461 ( 4.246 6.523 9.528) 12.303 10.597 ( -17.500 12.333 3.918) 21.765 11.087 ( 9.231 0.434 -0.932) 9.288 11.445 ( 7.663 6.281 6.037) 11.602 12.114 ( 3.603 -0.007 -12.965) 13.456 12.508 ( -8.904 3.312 -6.830) 11.701 12.950 ( 1.566 -6.677 5.374) 8.713 13.637 ( 2.870 -6.095 -2.344) 7.133 14.102 ( 10.948 12.774 -1.857) 16.925 14.894 ( -10.340 18.829 -1.850) 21.561 15.054 ( 8.506 5.283 -10.674) 14.635 16.721 ( -3.455 -18.180 12.426) 22.290 17.137 ( -4.965 2.157 9.553) 10.980 17.702 ( 5.273 7.896 2.343) 9.780 18.850 ( -1.112 4.190 -11.389) 12.187 20.365 ( 5.141 -4.781 -6.294) 9.429 20.434 ( -1.154 1.502 -5.712) 6.018 20.592 ( 0.212 -1.420 5.100) 5.298 21.594 ( -3.434 -3.815 -3.466) 6.194 ======================= Grid point 177 (82/294) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( 12.977 35.049 15.864) 40.602 2.988 ( 11.170 21.027 32.976) 40.673 4.589 ( 36.733 30.135 20.720) 51.834 5.629 ( -4.639 -3.284 2.359) 6.153 6.972 ( -0.038 -11.066 -15.670) 19.184 7.399 ( -5.301 -9.417 -11.823) 16.018 8.239 ( -17.784 -8.891 -0.966) 19.906 8.598 ( -8.984 -9.079 -1.045) 12.815 9.071 ( -8.514 -12.197 3.098) 15.194 9.701 ( 0.053 -6.875 7.044) 9.843 10.108 ( 15.621 -7.316 11.380) 20.665 10.509 ( -5.147 9.153 -0.368) 10.507 10.621 ( -3.121 9.861 7.441) 12.741 11.257 ( 10.945 -2.774 2.331) 11.529 11.503 ( -6.796 1.811 -0.167) 7.035 12.151 ( 9.612 -1.983 -8.046) 12.691 12.314 ( -11.734 3.560 -6.902) 14.071 13.006 ( 2.094 1.103 2.254) 3.268 13.621 ( 6.307 -9.127 0.046) 11.094 14.366 ( 8.351 9.650 -5.928) 14.071 14.894 ( -10.307 15.210 2.156) 18.500 15.202 ( 10.529 6.508 -5.261) 13.450 16.581 ( -4.750 -12.290 15.691) 20.490 17.130 ( -4.596 1.332 8.270) 9.555 17.872 ( 4.093 4.767 5.826) 8.569 18.730 ( -6.681 1.053 -14.132) 15.667 20.358 ( 0.565 2.288 -5.725) 6.191 20.417 ( 3.512 -1.167 -7.871) 8.698 20.613 ( 0.507 -2.150 5.694) 6.107 21.463 ( -2.974 -7.476 -4.045) 9.006 ======================= Grid point 178 (83/294) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.497 ( 10.101 28.409 11.920) 32.422 3.583 ( 15.760 17.922 26.140) 35.396 5.299 ( 4.620 8.149 7.950) 12.286 5.627 ( 9.109 8.210 -2.272) 12.471 6.856 ( 5.682 -15.101 -5.843) 17.160 7.177 ( -4.612 -7.940 -8.631) 12.602 7.809 ( -16.558 -4.921 6.828) 18.574 8.518 ( 1.756 -0.390 -1.467) 2.321 8.817 ( -5.938 -14.974 -1.732) 16.202 9.684 ( 0.655 -4.853 3.844) 6.226 10.278 ( 4.758 -2.079 4.784) 7.060 10.565 ( -0.056 5.683 3.929) 6.909 10.691 ( 0.108 5.429 3.772) 6.612 11.289 ( -15.424 4.688 -4.460) 16.726 11.437 ( 15.564 -13.729 -0.535) 20.761 12.117 ( -13.096 5.723 -5.253) 15.227 12.256 ( 4.532 2.592 -0.779) 5.279 12.995 ( -0.973 -0.925 -5.719) 5.875 13.716 ( 12.277 -8.215 4.721) 15.508 14.471 ( -0.271 8.826 -10.810) 13.958 14.865 ( -7.992 6.573 5.883) 11.903 15.486 ( 14.503 9.268 0.468) 17.218 16.533 ( -3.516 -4.459 18.529) 19.379 17.100 ( -4.724 -0.806 6.339) 7.946 17.982 ( -0.986 1.828 9.030) 9.266 18.508 ( -7.783 0.120 -16.127) 17.907 20.379 ( 0.936 7.720 -8.011) 11.165 20.419 ( 4.583 -3.112 -7.077) 8.988 20.642 ( 1.680 -2.939 6.700) 7.506 21.300 ( -3.850 -8.649 -4.487) 10.477 ======================= Grid point 179 (84/294) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.942 ( 6.578 21.057 7.395) 23.267 4.141 ( 15.514 13.648 19.164) 28.182 5.164 ( -17.493 -3.740 2.903) 18.122 5.924 ( 11.431 6.651 -0.953) 13.260 6.661 ( -4.851 -14.220 -3.227) 15.368 6.926 ( -6.286 -14.298 -4.526) 16.261 7.881 ( 10.968 12.292 0.922) 16.499 8.536 ( -2.754 -3.776 -0.422) 4.693 8.618 ( 4.523 -11.067 -1.349) 12.032 9.655 ( -3.902 -1.697 3.653) 5.609 10.371 ( 8.064 -2.227 -0.690) 8.394 10.619 ( -6.567 15.019 -1.552) 16.465 10.711 ( -5.171 -8.100 8.125) 12.585 11.046 ( -4.914 -0.693 -9.257) 10.503 11.549 ( 8.521 -8.012 -0.797) 11.723 11.924 ( -10.287 2.778 0.167) 10.657 12.346 ( 0.343 6.811 3.446) 7.641 12.964 ( 4.243 -1.018 -7.712) 8.860 13.860 ( 9.636 -8.402 4.426) 13.529 14.422 ( -6.412 8.362 -10.477) 14.859 14.835 ( -4.914 2.237 4.902) 7.293 15.810 ( 12.917 4.025 4.158) 14.154 16.593 ( -3.216 3.030 19.628) 20.119 17.032 ( -4.141 -3.774 4.156) 6.976 17.929 ( -11.292 1.170 0.794) 11.380 18.370 ( 1.131 0.467 -6.069) 6.191 20.397 ( 2.146 1.445 -10.633) 10.943 20.449 ( 2.611 4.317 -6.240) 8.024 20.706 ( 4.678 -3.435 7.638) 9.593 21.125 ( -4.256 -6.829 -4.177) 9.067 ======================= Grid point 180 (85/294) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.163 ( -4.050 11.175 1.931) 12.042 4.560 ( 6.913 3.114 9.864) 12.441 4.798 ( -17.716 -2.186 5.999) 18.831 6.011 ( 1.565 -9.659 2.490) 10.097 6.655 ( 1.232 3.298 2.747) 4.466 6.705 ( 5.822 -4.229 -1.596) 7.371 8.144 ( 8.150 7.345 -11.478) 15.878 8.428 ( 7.413 -12.561 -5.943) 15.749 8.662 ( 0.822 -1.079 4.535) 4.733 9.560 ( -10.002 0.902 5.952) 11.674 10.253 ( -25.334 -2.059 -17.941) 31.112 10.417 ( 2.717 -6.874 -4.241) 8.521 10.828 ( 1.679 11.949 6.374) 13.646 11.068 ( 12.916 -4.564 1.661) 13.799 11.538 ( -2.649 0.928 1.907) 3.393 11.902 ( 3.855 -3.821 5.562) 7.771 12.449 ( -0.561 9.402 4.319) 10.362 13.024 ( 7.384 1.374 -6.127) 9.693 13.894 ( 1.737 -8.035 0.326) 8.227 14.347 ( -4.024 6.870 -6.111) 10.037 14.784 ( -4.505 -0.852 1.685) 4.885 16.008 ( 5.915 -3.331 6.458) 9.370 16.633 ( -11.194 2.153 15.671) 19.378 16.987 ( 1.544 -2.544 3.412) 4.527 17.726 ( -10.337 3.836 -6.482) 12.790 18.448 ( 6.256 0.845 5.141) 8.141 20.369 ( 2.312 -1.770 -10.005) 10.421 20.480 ( -0.045 5.805 -7.084) 9.159 20.778 ( 1.614 -7.065 6.103) 9.475 21.038 ( 2.660 1.376 -2.509) 3.907 ======================= Grid point 181 (86/294) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.010 ( -21.501 0.596 -1.030) 21.533 4.215 ( -24.015 -12.823 3.182) 27.409 4.964 ( 8.523 4.625 10.188) 14.065 5.977 ( 2.348 -5.286 0.431) 5.800 6.609 ( 8.176 -8.198 4.674) 12.486 7.122 ( 16.535 21.312 5.424) 27.514 8.101 ( -7.936 -3.803 -9.539) 12.978 8.490 ( 15.605 -8.635 -11.743) 21.353 8.590 ( -10.467 -1.845 2.212) 10.856 9.398 ( -14.457 1.467 4.256) 15.142 9.791 ( -5.718 -4.401 -18.860) 20.193 10.351 ( -1.009 -1.803 -4.992) 5.402 10.881 ( -5.375 9.081 -3.931) 11.261 11.298 ( 6.609 -6.088 11.048) 14.240 11.621 ( 9.554 3.057 4.468) 10.981 11.984 ( 6.461 -2.856 5.645) 9.043 12.538 ( -3.895 9.963 4.548) 11.624 13.140 ( 5.768 2.919 -3.403) 7.306 13.793 ( -1.333 -7.032 -5.809) 9.218 14.346 ( -1.729 5.658 -0.941) 5.990 14.711 ( -1.774 -2.422 0.610) 3.064 16.012 ( -2.787 -7.205 2.820) 8.224 16.457 ( -16.231 -4.619 13.840) 21.825 17.029 ( 0.581 1.452 -0.179) 1.574 17.645 ( -1.186 5.021 -1.916) 5.504 18.632 ( 8.655 1.934 8.471) 12.264 20.324 ( 2.071 -2.722 -9.197) 9.812 20.478 ( -1.291 5.332 -7.148) 9.010 20.705 ( -3.234 -6.935 4.363) 8.808 21.190 ( 9.797 5.168 -1.168) 11.138 ======================= Grid point 182 (87/294) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.489 ( -34.062 -6.023 1.537) 34.624 3.709 ( -26.093 -13.583 6.213) 30.066 5.153 ( 5.075 1.545 5.299) 7.498 5.929 ( -5.691 -6.682 1.093) 8.845 6.826 ( 18.671 -1.346 -0.749) 18.734 7.594 ( -16.042 5.836 7.096) 18.487 7.716 ( 3.594 11.739 -2.184) 12.469 8.467 ( -1.024 0.040 -0.160) 1.037 8.594 ( 16.386 -9.986 -13.425) 23.419 9.240 ( -1.395 -4.028 -6.377) 7.671 9.719 ( 3.296 0.808 -4.495) 5.632 10.321 ( -1.443 6.173 -4.178) 7.592 10.828 ( -7.127 7.934 -4.622) 11.624 11.273 ( -4.614 -10.867 9.408) 15.096 11.835 ( 10.253 -3.482 3.207) 11.293 12.164 ( 10.642 1.510 4.775) 11.761 12.546 ( -8.992 9.007 2.215) 12.919 13.159 ( -4.470 0.028 -1.435) 4.695 13.698 ( 3.305 -5.500 -9.804) 11.717 14.370 ( -3.462 5.991 4.502) 8.255 14.725 ( 5.556 -1.130 0.477) 5.690 15.841 ( -8.068 -5.437 -3.101) 10.211 16.225 ( -14.107 -7.700 15.078) 22.037 17.028 ( -0.812 1.746 -2.224) 2.941 17.711 ( 2.407 2.871 2.337) 4.416 18.860 ( 9.304 2.632 7.737) 12.383 20.286 ( 2.208 -1.911 -6.742) 7.347 20.459 ( -1.524 4.565 -6.667) 8.223 20.624 ( -2.624 -4.392 3.821) 6.385 21.396 ( 9.862 4.331 -2.635) 11.089 ======================= Grid point 183 (88/294) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( -36.305 -9.623 8.677) 38.548 3.132 ( -34.081 -9.984 9.442) 36.747 5.125 ( -23.737 -8.627 1.607) 25.307 5.572 ( -15.265 -4.922 -0.255) 16.041 7.084 ( 15.308 1.027 -8.905) 17.739 7.385 ( 5.494 3.180 2.552) 6.842 8.208 ( 14.424 15.183 11.457) 23.871 8.534 ( 5.770 7.135 0.212) 9.178 8.687 ( 16.143 -10.853 -12.297) 23.013 9.169 ( 3.647 -7.012 -7.268) 10.737 9.787 ( 1.440 4.239 2.728) 5.243 10.347 ( -4.545 9.992 -2.405) 11.237 10.768 ( -3.275 3.534 -1.214) 4.969 11.101 ( -8.647 -8.012 5.727) 13.106 11.901 ( 1.405 -11.476 3.832) 12.180 12.357 ( 8.277 -0.379 0.791) 8.323 12.462 ( -7.659 9.156 -4.139) 12.634 13.013 ( -9.753 -1.410 -0.494) 9.867 13.656 ( 3.516 -4.129 -8.967) 10.480 14.386 ( -6.286 6.297 5.871) 10.660 14.858 ( 8.668 -0.543 1.750) 8.860 15.652 ( -8.670 -2.769 -0.299) 9.107 16.053 ( -4.360 -5.980 8.780) 11.483 17.022 ( -0.477 0.552 0.013) 0.730 17.770 ( 0.191 0.361 3.036) 3.063 19.062 ( 7.297 2.046 3.224) 8.236 20.294 ( 3.162 0.778 -2.540) 4.130 20.442 ( -0.743 3.725 -5.394) 6.597 20.575 ( -1.623 -2.439 2.315) 3.735 21.556 ( 7.972 1.840 -4.595) 9.384 ======================= Grid point 184 (89/294) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -35.412 -11.240 19.301) 41.868 2.514 ( -40.008 -3.259 15.224) 42.931 4.104 ( -68.340 -13.989 2.160) 69.790 5.594 ( 7.483 1.542 0.565) 7.661 7.362 ( 19.579 8.506 -12.676) 24.827 7.637 ( 18.932 -3.760 -0.393) 19.306 8.488 ( 9.098 -1.751 1.734) 9.426 8.783 ( 14.639 -9.176 -7.593) 18.872 8.875 ( 10.279 21.375 12.042) 26.600 9.139 ( 4.868 -6.259 -3.585) 8.702 9.839 ( -5.167 6.321 2.127) 8.436 10.278 ( -12.147 2.287 8.107) 14.782 10.738 ( 1.321 -13.114 2.507) 13.417 11.015 ( -4.211 16.280 -0.967) 16.843 11.664 ( -13.805 -16.606 3.975) 21.957 12.392 ( 1.352 3.458 -11.290) 11.885 12.538 ( 7.397 1.515 0.058) 7.551 12.844 ( -7.923 -0.178 1.261) 8.025 13.635 ( 3.074 -1.907 -5.224) 6.354 14.326 ( -11.478 6.423 1.401) 13.227 14.960 ( 2.375 -4.228 4.571) 6.664 15.458 ( -8.416 -5.459 -1.837) 10.198 16.149 ( 11.948 2.299 6.276) 13.691 17.020 ( -0.479 -1.068 2.445) 2.711 17.754 ( -3.693 -0.908 2.578) 4.594 19.158 ( 2.994 -0.317 -4.651) 5.540 20.380 ( 3.790 4.947 1.021) 6.315 20.444 ( 0.598 2.478 -3.512) 4.339 20.547 ( -0.881 -1.151 0.735) 1.625 21.640 ( 5.618 -1.181 -6.046) 8.337 ======================= Grid point 187 (90/294) ======================= q-point: ( 0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -6.376 29.710 22.427) 37.767 2.345 ( -10.256 21.050 38.066) 44.692 3.688 ( -30.970 43.548 37.704) 65.400 5.719 ( 4.128 -6.700 0.039) 7.870 7.196 ( 4.032 -12.930 -20.705) 24.742 7.888 ( 0.225 2.491 -20.198) 20.352 8.541 ( 4.823 -2.665 -10.512) 11.868 8.964 ( 15.471 -15.123 5.664) 22.364 9.306 ( 8.764 -11.187 12.893) 19.189 9.410 ( -0.504 -11.992 10.060) 15.661 9.969 ( -8.512 -6.926 11.928) 16.208 10.488 ( 0.076 5.891 7.387) 9.449 10.690 ( -0.018 -13.912 1.080) 13.954 10.880 ( 11.696 23.393 4.108) 26.475 11.399 ( -17.807 2.290 5.030) 18.645 12.315 ( -4.621 1.600 -13.288) 14.159 12.565 ( 5.893 12.545 -4.301) 14.513 12.907 ( 1.231 -10.396 3.752) 11.120 13.809 ( -16.405 -5.461 1.897) 17.393 13.942 ( 0.290 10.247 -4.256) 11.100 14.693 ( 10.143 9.078 -8.695) 16.152 15.228 ( -6.864 15.487 -4.055) 17.419 16.670 ( 5.283 -19.241 11.799) 23.180 17.184 ( 3.201 3.515 7.774) 9.112 17.706 ( -5.374 7.815 3.963) 10.279 18.795 ( 2.796 1.634 -10.713) 11.192 20.185 ( 0.559 -10.570 -6.484) 12.413 20.485 ( -1.118 1.526 -3.778) 4.225 20.587 ( -0.063 -1.513 5.083) 5.304 21.724 ( -0.209 1.769 -5.476) 5.758 ======================= Grid point 188 (91/294) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 17.579 36.204 22.567) 46.142 2.706 ( 0.473 24.838 31.732) 40.300 3.997 ( -9.590 44.344 36.725) 58.370 5.699 ( 1.290 -6.894 1.247) 7.124 6.970 ( -0.052 -12.557 -21.334) 24.755 7.689 ( -8.523 -2.532 -17.353) 19.498 8.449 ( -3.143 -0.172 -11.524) 11.946 9.013 ( 2.622 -19.773 5.480) 20.685 9.293 ( -3.624 -14.104 4.528) 15.250 9.459 ( 12.866 -18.570 18.872) 29.437 9.856 ( -6.421 0.419 7.592) 9.953 10.526 ( -3.203 0.895 8.195) 8.844 10.672 ( 15.312 -14.221 -5.557) 21.623 11.114 ( -14.586 11.997 5.127) 19.569 11.448 ( 12.653 20.787 3.988) 24.660 12.109 ( -9.534 -0.957 -12.250) 15.552 12.670 ( -6.246 5.749 -1.669) 8.651 12.853 ( 3.861 -6.481 3.811) 8.452 13.590 ( -4.564 -3.874 -1.945) 6.295 14.094 ( 5.695 12.998 0.668) 14.206 14.878 ( 8.318 4.341 -9.322) 13.226 15.262 ( -8.222 22.188 -3.471) 23.916 16.609 ( 2.158 -18.367 11.385) 21.717 17.277 ( -1.377 1.222 9.922) 10.091 17.768 ( -0.656 10.067 4.335) 10.980 18.811 ( 2.410 2.143 -10.425) 10.912 20.113 ( 7.657 -10.236 -7.069) 14.607 20.448 ( -1.844 1.313 -4.657) 5.178 20.602 ( 0.239 -2.289 5.413) 5.882 21.633 ( -5.579 -2.225 -5.064) 7.856 ======================= Grid point 189 (92/294) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( 6.677 27.518 25.165) 37.883 3.226 ( 12.639 26.048 22.375) 36.591 4.645 ( 12.671 41.188 23.764) 49.211 5.657 ( -0.970 -4.664 3.411) 5.860 6.729 ( 0.228 -11.226 -17.947) 21.169 7.404 ( -9.314 -4.233 -12.376) 16.057 8.347 ( -4.128 2.035 -6.766) 8.183 8.701 ( -15.790 -19.360 2.654) 25.123 9.058 ( -6.016 -19.942 0.619) 20.839 9.562 ( 7.829 -21.459 18.221) 29.219 9.913 ( 6.827 2.995 2.895) 7.997 10.562 ( 2.483 0.100 3.451) 4.253 10.772 ( 14.846 -12.658 -4.177) 19.951 11.054 ( -11.211 13.857 5.851) 18.760 11.815 ( -10.495 13.679 2.552) 17.429 11.910 ( 11.041 2.208 -10.914) 15.681 12.501 ( -10.636 -0.347 -2.268) 10.881 12.960 ( 5.453 1.406 3.333) 6.544 13.501 ( -0.502 -4.821 -2.292) 5.362 14.348 ( 6.500 14.036 1.428) 15.534 14.944 ( 5.153 -3.689 -4.923) 8.025 15.338 ( -6.811 24.572 -3.552) 25.745 16.557 ( 1.565 -12.439 12.361) 17.606 17.291 ( -4.907 0.013 10.985) 12.031 17.913 ( 2.365 9.066 5.833) 11.036 18.746 ( -3.583 0.076 -12.567) 13.069 20.139 ( 11.013 -8.509 -8.197) 16.152 20.399 ( -1.582 1.869 -5.915) 6.402 20.616 ( 0.363 -2.820 5.664) 6.337 21.464 ( -6.353 -5.079 -4.185) 9.147 ======================= Grid point 190 (93/294) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.662 ( 10.008 23.134 13.751) 28.713 3.767 ( 6.907 21.686 26.229) 34.727 5.340 ( 12.894 26.566 9.698) 31.081 5.620 ( -1.737 0.108 0.956) 1.986 6.569 ( 4.125 -11.603 -10.294) 16.050 7.177 ( -6.392 -2.497 -9.046) 11.355 8.091 ( -19.871 -9.953 6.156) 23.062 8.466 ( 2.012 -0.050 -2.828) 3.471 8.733 ( -6.176 -21.764 -4.509) 23.068 9.560 ( 4.414 -15.799 11.039) 19.772 10.088 ( 11.523 -5.658 2.163) 13.018 10.627 ( 1.981 0.037 3.050) 3.637 10.857 ( 2.263 0.387 2.073) 3.093 11.082 ( 4.509 3.310 -1.332) 5.750 11.572 ( -15.432 1.133 -5.894) 16.558 12.198 ( 8.893 11.978 -0.959) 14.950 12.334 ( -9.658 2.922 -1.502) 10.202 12.991 ( -3.457 -1.546 -4.273) 5.710 13.497 ( 7.634 -5.489 3.035) 9.880 14.549 ( 0.193 14.330 -2.092) 14.483 14.939 ( 2.231 -6.824 0.574) 7.202 15.487 ( 1.131 19.209 -0.738) 19.256 16.586 ( 2.271 -4.225 13.854) 14.661 17.249 ( -6.842 -1.725 10.072) 12.298 18.070 ( 1.373 6.623 9.260) 11.467 18.549 ( -8.455 -0.682 -15.922) 18.040 20.193 ( 10.111 -7.362 -8.936) 15.372 20.376 ( 0.693 4.007 -7.005) 8.100 20.630 ( 0.727 -3.306 6.154) 7.024 21.283 ( -5.533 -6.393 -3.729) 9.241 ======================= Grid point 191 (94/294) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.098 ( 8.674 21.479 5.315) 23.766 4.210 ( 6.373 15.163 24.083) 29.163 5.421 ( -13.073 -2.690 5.230) 14.335 5.814 ( 9.145 11.474 -1.996) 14.808 6.481 ( 3.925 -11.089 -4.635) 12.643 6.949 ( -10.805 -7.804 -5.580) 14.449 7.891 ( -0.781 4.172 0.177) 4.248 8.360 ( -1.853 -24.519 -7.811) 25.800 8.600 ( 2.667 7.153 4.138) 8.683 9.567 ( 6.480 -12.511 6.594) 15.556 10.191 ( 8.771 -8.958 -0.129) 12.538 10.671 ( 2.037 0.201 5.620) 5.981 10.887 ( -4.664 8.403 1.186) 9.684 11.237 ( -1.453 0.195 -5.062) 5.270 11.287 ( -3.065 1.144 -3.068) 4.485 12.152 ( -14.058 2.860 -3.200) 14.698 12.418 ( 3.877 7.867 4.432) 9.826 12.856 ( -0.950 -2.756 -8.628) 9.107 13.643 ( 10.837 -5.686 5.243) 13.314 14.595 ( -7.331 13.230 -6.116) 16.315 14.904 ( -0.477 -5.383 2.819) 6.095 15.719 ( 7.605 9.623 3.529) 12.763 16.711 ( 3.100 1.662 15.213) 15.614 17.145 ( -8.521 -4.449 7.783) 12.368 18.147 ( -9.056 2.733 6.798) 11.648 18.331 ( -1.717 2.756 -12.635) 13.046 20.214 ( 7.497 -7.056 -9.839) 14.241 20.421 ( 3.328 6.490 -7.772) 10.658 20.658 ( 2.166 -3.710 7.126) 8.321 21.116 ( -4.611 -5.571 -3.321) 7.958 ======================= Grid point 192 (95/294) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.392 ( -1.642 19.183 1.820) 19.339 4.552 ( 6.545 6.346 14.651) 17.255 5.131 ( -19.203 -3.345 4.621) 20.032 5.888 ( 0.883 -11.395 2.535) 11.707 6.540 ( 7.789 -0.459 -1.754) 7.997 6.703 ( -3.597 -0.950 2.143) 4.294 8.011 ( 7.947 8.529 -12.570) 17.144 8.082 ( 4.591 -22.775 -10.651) 25.559 8.736 ( -0.232 6.217 7.125) 9.459 9.590 ( 4.367 -9.500 4.296) 11.304 10.223 ( 5.851 -8.008 -3.070) 10.382 10.708 ( -29.172 3.160 -6.324) 30.016 10.839 ( 11.494 1.993 7.636) 13.942 11.018 ( -6.326 10.510 -2.162) 12.456 11.472 ( 10.427 -2.937 2.512) 11.120 11.925 ( -8.755 -1.671 -1.120) 8.983 12.557 ( 1.293 7.175 5.370) 9.055 12.859 ( 7.570 0.981 -8.112) 11.139 13.764 ( 6.174 -6.462 4.198) 9.874 14.519 ( -9.671 11.326 -6.942) 16.432 14.846 ( -2.960 -3.961 2.115) 5.378 15.931 ( 6.490 1.723 6.281) 9.195 16.870 ( -0.346 2.049 15.756) 15.892 16.976 ( -6.925 -7.407 3.304) 10.665 17.927 ( -13.241 3.413 -8.447) 16.073 18.411 ( 4.279 4.551 5.305) 8.196 20.198 ( 5.796 -6.675 -9.581) 13.036 20.486 ( 1.733 6.617 -8.191) 10.671 20.720 ( 3.500 -3.816 7.414) 9.043 21.001 ( -1.031 -1.844 -3.220) 3.852 ======================= Grid point 193 (96/294) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.389 ( -16.955 11.708 -0.143) 20.605 4.516 ( -19.301 -8.914 3.153) 21.493 4.993 ( 0.313 4.335 11.491) 12.286 5.838 ( 5.504 -9.476 1.677) 11.086 6.455 ( 0.874 -11.597 4.653) 12.526 7.035 ( 18.757 15.246 3.482) 24.421 7.934 ( 7.581 -14.580 -9.276) 18.870 8.154 ( 9.517 6.376 -15.865) 19.569 8.766 ( -5.520 1.895 3.670) 6.894 9.598 ( 3.478 -5.064 3.120) 6.890 9.946 ( -33.636 -4.784 -15.177) 37.210 10.323 ( -3.116 -0.761 3.182) 4.519 10.976 ( 0.046 5.282 -6.794) 8.606 11.193 ( 8.970 2.738 12.231) 15.412 11.578 ( 3.143 1.131 3.535) 4.864 11.870 ( 4.932 -3.733 1.127) 6.287 12.678 ( 0.722 7.283 4.569) 8.628 12.997 ( 10.593 3.462 -6.119) 12.714 13.743 ( -2.651 -6.963 -0.176) 7.452 14.458 ( -4.653 9.514 -3.907) 11.288 14.759 ( -4.641 -2.582 2.254) 5.769 16.012 ( -0.658 -3.885 5.380) 6.668 16.715 ( -13.403 -8.616 9.479) 18.540 17.004 ( 3.010 -0.648 2.353) 3.875 17.752 ( -7.031 4.913 -3.814) 9.388 18.585 ( 6.171 4.901 7.369) 10.789 20.171 ( 4.794 -5.972 -7.814) 10.941 20.505 ( -0.438 5.413 -7.429) 9.202 20.731 ( -2.476 -3.890 5.536) 7.204 21.056 ( 8.524 2.673 -3.198) 9.488 ======================= Grid point 194 (97/294) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.983 ( -30.419 -9.113 3.756) 31.976 4.133 ( -25.424 4.877 4.100) 26.211 5.133 ( 3.501 1.568 7.428) 8.361 5.863 ( 4.963 -7.881 2.008) 9.527 6.521 ( 13.204 -4.658 1.630) 14.096 7.499 ( 22.893 -0.629 -3.104) 23.111 7.928 ( -1.843 6.687 3.406) 7.728 8.263 ( 7.230 5.395 -14.508) 17.084 8.602 ( -14.781 -0.853 0.390) 14.811 9.269 ( -19.004 -7.838 -16.638) 26.446 9.680 ( 3.418 1.534 8.194) 9.010 10.349 ( 1.628 1.825 2.520) 3.511 10.951 ( -4.047 4.809 -6.143) 8.789 11.298 ( -1.054 -5.105 6.714) 8.500 11.682 ( 5.640 -0.534 0.969) 5.747 12.015 ( 11.459 -0.038 3.610) 12.014 12.741 ( -3.855 4.481 2.576) 6.448 13.160 ( 6.266 3.794 -4.576) 8.637 13.584 ( -4.301 -6.019 -4.488) 8.653 14.501 ( -0.107 9.161 -0.021) 9.161 14.694 ( -2.526 -1.465 4.392) 5.274 15.903 ( -7.239 -5.193 -0.424) 8.919 16.458 ( -13.908 -11.340 12.905) 22.103 17.026 ( 0.972 0.979 -4.236) 4.455 17.733 ( -0.348 2.242 3.253) 3.966 18.789 ( 7.644 4.294 5.473) 10.335 20.161 ( 4.699 -4.162 -4.309) 7.614 20.495 ( -1.394 5.014 -6.750) 8.523 20.671 ( -4.029 -2.166 4.251) 6.244 21.232 ( 10.771 2.708 -4.665) 12.046 ======================= Grid point 195 (98/294) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.388 ( -33.428 -9.888 10.059) 36.282 3.731 ( -31.977 4.914 7.157) 33.135 5.219 ( 1.605 -1.060 4.787) 5.159 5.810 ( -8.958 -6.307 2.597) 11.259 6.751 ( 17.158 -0.269 -6.484) 18.344 7.511 ( -10.051 -5.311 -7.261) 13.489 7.994 ( 7.416 -6.391 1.604) 9.920 8.408 ( 8.320 8.801 -4.574) 12.946 8.564 ( 6.210 15.574 4.458) 17.349 8.994 ( 1.156 -7.993 -10.474) 13.226 9.834 ( 3.926 5.424 8.784) 11.045 10.427 ( 2.503 3.669 1.635) 4.733 10.852 ( -7.284 -3.041 0.457) 7.907 11.225 ( -5.835 2.219 -0.302) 6.250 11.741 ( 5.360 -7.202 -1.339) 9.077 12.216 ( 9.154 -0.393 1.608) 9.303 12.642 ( -9.359 -0.571 -2.369) 9.671 13.170 ( -6.181 3.190 -1.953) 7.225 13.504 ( 3.066 -2.590 -5.815) 7.065 14.595 ( -3.343 9.450 4.182) 10.861 14.721 ( 5.712 -1.635 3.440) 6.865 15.733 ( -6.355 -2.441 -2.502) 7.253 16.186 ( -12.840 -11.733 12.071) 21.172 17.026 ( 0.493 1.102 -2.696) 2.954 17.781 ( 1.126 -0.698 5.204) 5.370 18.966 ( 7.291 1.601 -0.181) 7.467 20.211 ( 5.594 -0.780 1.127) 5.759 20.480 ( -1.680 5.303 -5.924) 8.126 20.612 ( -3.484 -1.314 2.886) 4.711 21.387 ( 9.384 0.981 -6.767) 11.611 ======================= Grid point 196 (99/294) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( -33.539 -6.761 18.658) 38.970 3.249 ( -36.697 3.292 10.558) 38.327 5.029 ( -37.610 -0.803 4.256) 37.859 5.550 ( -5.813 -0.035 1.997) 6.147 7.019 ( 19.315 4.950 -12.153) 23.351 7.383 ( 4.830 -3.298 -1.090) 5.949 8.107 ( 20.912 -17.601 -5.485) 27.878 8.527 ( 5.025 1.989 -2.849) 6.109 8.947 ( 6.138 -6.500 -1.908) 9.141 9.031 ( 11.611 27.144 10.065) 31.192 9.978 ( -0.626 6.276 5.666) 8.478 10.498 ( -2.006 4.772 3.170) 6.070 10.649 ( -7.140 -16.661 8.198) 19.894 11.216 ( -2.744 16.837 -6.311) 18.189 11.659 ( -3.105 -14.900 0.619) 15.233 12.306 ( 3.796 -2.397 -3.748) 5.848 12.487 ( -2.507 -0.728 -5.741) 6.307 13.044 ( -10.714 3.483 0.647) 11.284 13.531 ( 4.524 0.947 -3.897) 6.045 14.587 ( -9.022 7.626 1.009) 11.856 14.852 ( 7.319 -3.879 3.982) 9.191 15.556 ( -10.889 -5.699 -2.285) 12.501 16.069 ( 2.591 -2.613 10.927) 11.530 17.028 ( -0.017 -0.685 0.889) 1.123 17.804 ( -0.810 -1.469 4.725) 5.014 19.041 ( 4.765 -2.575 -7.775) 9.476 20.344 ( 5.980 2.188 5.934) 8.704 20.473 ( -1.394 5.539 -5.273) 7.773 20.564 ( -2.188 -1.100 1.028) 2.656 21.482 ( 7.194 -0.537 -7.834) 10.650 ======================= Grid point 199 (100/294) ======================= q-point: ( 0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -21.185 23.338 15.383) 35.073 2.960 ( -14.108 18.370 33.627) 40.832 4.763 ( -27.991 31.991 18.735) 46.453 5.576 ( 4.503 -6.540 0.932) 7.994 6.984 ( -1.820 -2.921 -11.581) 12.082 7.754 ( 6.887 1.666 -11.816) 13.778 8.237 ( 20.761 -9.248 -0.062) 22.727 8.683 ( 6.422 -1.884 -4.022) 7.808 9.132 ( 6.754 -10.504 7.179) 14.404 9.369 ( -3.359 -15.101 9.056) 17.926 10.066 ( -4.646 -9.164 6.796) 12.319 10.333 ( 3.565 -7.277 -9.136) 12.212 10.820 ( -9.052 1.537 4.790) 10.356 11.037 ( 1.405 16.343 14.398) 21.826 11.645 ( -6.300 0.788 0.114) 6.350 12.202 ( 6.106 -1.116 -12.619) 14.063 12.560 ( 8.872 12.667 -2.278) 15.632 12.888 ( -5.823 -3.815 0.556) 6.984 13.995 ( 0.971 9.467 -3.268) 10.062 14.068 ( -19.962 -12.008 4.560) 23.738 14.584 ( 7.159 9.797 -8.635) 14.893 15.452 ( -4.163 15.298 0.902) 15.880 16.481 ( 5.144 -16.676 13.975) 22.357 17.204 ( 4.227 5.063 5.554) 8.622 17.890 ( -3.636 4.876 8.436) 10.400 18.639 ( 5.857 -2.770 -12.705) 14.262 20.080 ( -5.126 -9.738 -8.625) 13.982 20.500 ( -0.981 2.272 -3.522) 4.305 20.611 ( -1.153 -1.574 5.102) 5.463 21.656 ( 5.091 0.301 -6.107) 7.957 ======================= Grid point 200 (101/294) ======================= q-point: ( 0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 4.980 34.475 18.879) 39.620 3.179 ( -6.674 21.170 30.887) 38.036 4.827 ( -16.868 34.560 20.314) 43.492 5.590 ( 4.181 -7.040 1.959) 8.419 6.820 ( -5.141 -2.184 -14.250) 15.305 7.679 ( -4.445 -3.540 -12.954) 14.146 8.420 ( 4.763 2.235 -6.098) 8.054 8.689 ( 8.901 -16.334 -0.670) 18.613 9.186 ( 7.866 -14.834 8.055) 18.623 9.259 ( -0.479 -17.761 12.587) 21.774 9.969 ( -1.064 -5.810 4.036) 7.154 10.254 ( 5.196 -15.803 -6.342) 17.803 10.697 ( -8.318 0.447 7.409) 11.148 11.331 ( 4.635 16.529 1.845) 17.266 11.601 ( -5.061 11.566 3.692) 13.154 12.148 ( -2.829 0.016 -11.749) 12.085 12.716 ( -1.282 -7.964 2.087) 8.332 12.833 ( 2.870 11.455 -1.319) 11.883 13.687 ( -13.908 -8.087 0.434) 16.094 14.136 ( 5.097 12.287 1.276) 13.363 14.748 ( 6.377 6.279 -7.999) 12.003 15.558 ( -4.325 18.895 1.013) 19.410 16.464 ( 3.423 -15.267 11.678) 19.524 17.337 ( 1.977 3.712 5.597) 7.001 17.946 ( -3.536 7.998 10.127) 13.380 18.671 ( 7.154 -0.668 -10.934) 13.084 19.886 ( 0.932 -10.956 -8.108) 13.662 20.470 ( -2.271 2.156 -4.625) 5.585 20.608 ( -0.193 -3.032 5.540) 6.319 21.631 ( -1.331 -3.520 -6.761) 7.737 ======================= Grid point 201 (102/294) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.351 ( 13.042 24.085 18.412) 33.003 3.515 ( 0.945 26.239 24.869) 36.163 5.111 ( -2.989 35.040 15.680) 38.505 5.612 ( 3.214 -4.909 4.186) 7.208 6.617 ( -6.698 -0.075 -14.070) 15.584 7.439 ( -8.489 -5.090 -11.392) 15.092 8.407 ( -3.501 6.711 -6.120) 9.734 8.618 ( 2.412 -24.105 0.801) 24.239 8.990 ( -10.063 -19.245 -0.291) 21.719 9.301 ( 11.713 -20.903 19.088) 30.635 9.944 ( -3.490 1.163 3.231) 4.897 10.195 ( 16.332 -22.195 -4.345) 27.897 10.663 ( -1.403 3.690 3.130) 5.038 11.453 ( -10.198 15.936 2.848) 19.133 11.733 ( 6.064 6.434 -8.351) 12.162 12.042 ( -3.780 6.192 -2.531) 7.683 12.595 ( -4.048 -7.741 2.503) 9.087 12.965 ( 0.078 9.365 0.631) 9.386 13.482 ( -3.481 -4.283 -2.464) 6.044 14.399 ( 7.275 14.479 4.797) 16.899 14.802 ( 3.179 -1.722 -6.009) 7.013 15.658 ( -6.496 18.755 0.121) 19.849 16.475 ( 4.033 -7.635 9.642) 12.943 17.402 ( -1.594 1.082 6.924) 7.187 18.053 ( -1.705 10.087 10.667) 14.780 18.681 ( 2.139 -1.223 -11.940) 12.191 19.817 ( 8.903 -10.677 -7.849) 15.965 20.413 ( -2.571 1.310 -5.273) 6.010 20.613 ( 0.445 -3.249 5.415) 6.331 21.485 ( -5.212 -5.838 -5.913) 9.809 ======================= Grid point 202 (103/294) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.771 ( 8.461 13.318 13.351) 20.669 4.018 ( 6.944 24.894 22.451) 34.234 5.533 ( 5.080 27.961 7.395) 29.365 5.642 ( 0.520 -0.856 2.788) 2.962 6.451 ( -4.805 1.697 -9.213) 10.528 7.209 ( -6.538 -2.020 -9.803) 11.955 8.282 ( -10.597 -21.066 2.231) 23.687 8.456 ( -0.812 7.018 -0.929) 7.126 8.566 ( -9.557 -24.914 -4.517) 27.064 9.394 ( 7.281 -18.792 17.476) 26.675 9.908 ( 2.425 -5.107 -1.906) 5.967 10.319 ( 20.259 -14.960 -1.406) 25.223 10.766 ( 5.055 6.687 2.689) 8.803 11.365 ( -15.746 10.197 0.185) 18.760 11.690 ( -4.527 -0.489 -8.490) 9.634 12.177 ( 7.002 9.960 -0.774) 12.200 12.490 ( -5.694 1.017 1.879) 6.081 13.028 ( -2.026 4.084 -1.176) 4.708 13.403 ( -0.147 -3.256 -1.028) 3.418 14.669 ( 5.074 11.527 4.153) 13.262 14.789 ( 2.804 -4.269 -2.056) 5.506 15.711 ( -5.878 14.466 0.928) 15.642 16.575 ( 4.909 1.121 8.461) 9.846 17.386 ( -5.156 -2.025 8.114) 9.825 18.201 ( -0.556 10.311 10.578) 14.782 18.563 ( -4.727 -1.981 -13.737) 14.662 19.857 ( 12.534 -10.009 -8.469) 18.139 20.363 ( -0.672 1.823 -5.686) 6.009 20.623 ( 0.613 -3.230 5.376) 6.301 21.297 ( -5.813 -6.308 -4.478) 9.677 ======================= Grid point 203 (104/294) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.118 ( 11.408 11.565 7.224) 17.779 4.443 ( 3.495 17.636 20.635) 27.368 5.576 ( -6.376 -3.908 1.933) 7.724 5.852 ( 2.353 15.262 -0.810) 15.464 6.391 ( -1.823 5.358 -2.480) 6.179 7.023 ( -8.695 -3.322 -7.613) 12.025 7.946 ( -6.506 -11.686 -0.200) 13.376 8.113 ( -6.634 -24.838 -9.136) 27.284 8.642 ( 6.049 10.667 5.253) 13.340 9.385 ( 3.319 -16.462 11.466) 20.335 9.934 ( 9.365 -9.381 -0.387) 13.261 10.520 ( 16.199 -7.455 0.331) 17.835 10.954 ( 5.760 4.776 3.953) 8.462 11.186 ( -8.555 5.073 -5.547) 11.389 11.554 ( -11.115 6.242 -2.356) 12.963 12.326 ( 0.833 -3.645 1.294) 3.957 12.456 ( -2.945 13.243 -3.318) 13.966 12.895 ( -10.991 -0.489 -4.790) 11.999 13.459 ( 8.956 -3.281 3.684) 10.225 14.782 ( 6.198 -9.078 0.853) 11.025 14.822 ( -5.339 13.612 -0.228) 14.624 15.781 ( -0.540 9.372 3.393) 9.982 16.744 ( 4.825 4.358 9.103) 11.186 17.288 ( -8.150 -4.859 7.502) 12.095 18.333 ( -5.133 4.366 -17.714) 18.952 18.357 ( -4.783 3.967 13.420) 14.789 19.910 ( 11.360 -9.940 -9.368) 17.765 20.374 ( 2.899 3.932 -5.846) 7.619 20.639 ( 1.121 -3.079 5.696) 6.571 21.127 ( -4.927 -5.038 -3.085) 7.692 ======================= Grid point 204 (105/294) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.457 ( 11.510 10.278 3.845) 15.903 4.716 ( -1.340 12.206 13.657) 18.366 5.382 ( -12.053 -4.693 1.212) 12.991 5.857 ( -6.384 -4.727 0.723) 7.977 6.490 ( 1.960 11.729 0.071) 11.892 6.773 ( -8.036 -7.439 0.690) 10.973 7.738 ( 2.418 -21.974 -9.526) 24.071 7.906 ( 3.105 4.198 -10.793) 11.990 8.843 ( 0.828 7.346 5.669) 9.316 9.380 ( 7.760 -14.309 6.503) 17.529 10.007 ( 8.955 -9.283 1.432) 12.978 10.723 ( 11.434 0.901 1.384) 11.552 10.970 ( -4.321 2.288 -3.511) 6.019 11.265 ( 9.010 4.655 0.799) 10.173 11.379 ( -18.057 8.451 0.507) 19.943 12.107 ( -15.991 -6.268 -0.913) 17.200 12.583 ( 4.686 7.306 -2.010) 8.909 12.762 ( -0.730 2.366 -3.386) 4.194 13.618 ( 9.181 -3.536 5.048) 11.058 14.746 ( -6.307 2.664 -5.591) 8.839 14.828 ( -1.324 1.024 2.503) 3.011 15.910 ( 3.790 4.426 5.696) 8.148 16.891 ( 2.809 -0.569 7.303) 7.845 17.119 ( -10.220 -5.576 6.839) 13.503 18.088 ( -10.189 2.355 -14.409) 17.804 18.484 ( -0.433 7.370 10.957) 13.212 19.935 ( 9.540 -9.138 -8.965) 15.965 20.448 ( 3.983 5.301 -6.592) 9.350 20.680 ( 2.899 -2.399 6.486) 7.498 21.003 ( -3.499 -2.367 -2.280) 4.800 ======================= Grid point 205 (106/294) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.680 ( -1.404 1.416 4.963) 5.349 4.758 ( -10.797 11.569 -0.082) 15.825 5.149 ( -9.933 -3.289 5.586) 11.861 5.705 ( -1.720 -8.347 3.076) 9.060 6.435 ( -7.029 -8.439 4.742) 11.963 6.827 ( 13.405 -0.202 -3.715) 13.911 7.673 ( 8.698 -0.494 -1.001) 8.770 7.996 ( 7.961 8.898 -14.891) 19.086 8.869 ( -3.951 0.265 2.388) 4.624 9.419 ( 7.692 -10.414 0.830) 12.973 10.038 ( 2.613 -9.163 0.432) 9.538 10.738 ( -27.016 8.014 -3.636) 28.413 10.928 ( 5.669 2.940 -3.035) 7.070 11.224 ( -3.317 4.098 7.608) 9.256 11.493 ( 12.277 0.740 4.044) 12.947 11.824 ( -7.332 -6.343 -2.075) 9.915 12.707 ( 4.190 3.624 0.975) 5.625 12.847 ( 6.924 6.388 -4.133) 10.288 13.715 ( 2.083 -3.621 3.383) 5.376 14.609 ( -7.078 2.988 -4.877) 9.100 14.821 ( -2.671 1.179 1.762) 3.410 16.021 ( 1.290 -0.496 6.001) 6.158 16.822 ( -6.087 -9.886 -0.153) 11.610 17.011 ( -3.806 -2.135 7.608) 8.771 17.894 ( -8.043 3.636 -7.172) 11.373 18.619 ( 1.793 6.327 8.049) 10.394 19.955 ( 8.123 -7.093 -6.461) 12.571 20.502 ( 1.438 4.302 -6.383) 7.831 20.761 ( 2.063 -0.650 6.869) 7.202 20.952 ( 1.673 0.738 -3.632) 4.066 ======================= Grid point 206 (107/294) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.384 ( -24.061 -7.117 3.982) 25.405 4.640 ( -21.048 11.644 0.949) 24.073 5.128 ( 3.201 -1.743 4.784) 6.015 5.684 ( 5.809 -8.915 2.436) 10.915 6.352 ( 3.338 -5.235 5.085) 8.025 6.995 ( 18.973 -12.276 -10.589) 24.956 7.991 ( 11.970 20.766 8.927) 25.577 8.149 ( 8.213 10.749 -12.198) 18.215 8.768 ( -6.753 -3.881 0.760) 7.826 9.368 ( -6.587 -7.054 -15.954) 18.646 9.837 ( -13.820 -5.157 9.029) 17.295 10.424 ( -10.738 2.781 6.634) 12.925 10.984 ( 0.707 3.478 -5.828) 6.823 11.297 ( 1.194 -0.417 5.288) 5.437 11.665 ( -2.808 0.796 -0.697) 3.001 11.785 ( 16.260 -5.027 2.401) 17.187 12.787 ( 1.412 0.203 0.241) 1.447 13.026 ( 8.939 6.509 -4.785) 12.049 13.644 ( -6.737 -2.107 -0.649) 7.088 14.562 ( -0.362 2.644 0.948) 2.832 14.789 ( -4.079 2.685 1.724) 5.179 15.977 ( -6.252 -3.978 1.326) 7.528 16.614 ( -9.214 -10.530 6.943) 15.620 16.974 ( 0.556 -1.418 -2.999) 3.363 17.803 ( -3.854 1.012 1.822) 4.382 18.756 ( 4.135 3.882 3.043) 6.437 20.004 ( 7.226 -3.594 -1.817) 8.273 20.512 ( -0.076 3.443 -5.373) 6.381 20.770 ( -4.787 1.358 4.887) 6.974 21.046 ( 9.627 1.309 -4.912) 10.887 ======================= Grid point 207 (108/294) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.900 ( -29.456 -5.711 8.867) 31.288 4.330 ( -27.359 7.079 2.910) 28.409 5.188 ( 3.487 -3.354 3.699) 6.090 5.753 ( 7.988 -4.883 3.040) 9.844 6.481 ( 11.147 0.478 -0.630) 11.175 7.121 ( 20.297 -15.102 -11.545) 27.809 8.259 ( -8.736 8.113 -6.634) 13.643 8.414 ( -3.073 13.441 5.319) 14.778 8.650 ( 4.280 12.055 5.371) 13.874 8.906 ( -11.539 -7.417 -14.540) 19.989 9.864 ( 4.389 2.187 13.218) 14.099 10.404 ( 0.887 -2.742 6.199) 6.836 10.943 ( -5.217 -1.067 -0.650) 5.364 11.316 ( -1.404 4.324 -0.985) 4.652 11.607 ( 0.987 -4.202 -5.620) 7.086 12.030 ( 13.469 -3.479 2.816) 14.193 12.715 ( -5.745 -6.319 -3.041) 9.065 13.166 ( 4.889 3.320 -6.538) 8.813 13.529 ( -5.726 4.070 -0.537) 7.046 14.630 ( 3.297 1.560 4.139) 5.518 14.771 ( -2.827 2.574 2.716) 4.690 15.813 ( -7.390 -1.920 -2.340) 7.985 16.373 ( -13.377 -10.518 10.804) 20.156 16.980 ( 3.059 0.314 -4.717) 5.630 17.791 ( -0.256 -2.369 6.417) 6.845 18.851 ( 5.216 -0.692 -4.066) 6.650 20.119 ( 7.286 1.144 4.188) 8.482 20.510 ( -0.478 3.443 -4.627) 5.787 20.713 ( -6.313 1.993 2.473) 7.067 21.188 ( 9.891 0.096 -6.458) 11.813 ======================= Grid point 208 (109/294) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.428 ( -30.471 -1.640 16.016) 34.463 3.905 ( -31.591 2.722 4.696) 32.054 5.228 ( 2.228 -3.604 3.601) 5.561 5.804 ( -6.748 2.585 3.050) 7.843 6.700 ( 15.667 4.102 -6.840) 17.580 7.238 ( 14.410 -9.695 -9.461) 19.778 7.835 ( -19.441 -5.416 0.078) 20.181 8.496 ( 1.931 4.294 -1.310) 4.887 8.756 ( 6.047 -2.691 -9.265) 11.386 9.154 ( 12.820 23.748 13.815) 30.318 10.051 ( 3.389 4.464 9.634) 11.146 10.447 ( 4.473 -5.228 5.464) 8.786 10.779 ( -10.834 -6.525 5.950) 13.977 11.356 ( -0.902 13.523 -6.646) 15.095 11.529 ( 1.004 -9.260 -6.467) 11.339 12.174 ( 7.419 -5.433 0.062) 9.196 12.495 ( -6.645 -7.408 -5.477) 11.359 13.164 ( -2.109 0.525 -6.160) 6.532 13.533 ( -1.550 8.930 0.547) 9.080 14.729 ( 5.313 -3.237 4.173) 7.492 14.752 ( -3.998 1.842 0.532) 4.434 15.679 ( -8.011 0.524 -1.916) 8.253 16.155 ( -8.476 -5.170 12.759) 16.166 17.006 ( 2.036 -0.765 -1.061) 2.420 17.813 ( 0.973 -3.286 6.977) 7.773 18.862 ( 4.897 -5.239 -10.801) 12.965 20.311 ( 6.906 4.487 8.354) 11.731 20.508 ( -0.651 3.524 -4.190) 5.514 20.630 ( -5.989 0.834 -0.286) 6.053 21.296 ( 8.583 -0.683 -7.443) 11.381 ======================= Grid point 211 (110/294) ======================= q-point: ( 0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( -23.941 18.794 10.229) 32.109 3.572 ( -16.111 17.016 27.549) 36.167 5.242 ( 2.349 -1.486 5.371) 6.048 5.573 ( -10.742 5.129 -2.626) 12.189 7.071 ( -7.383 6.830 -6.509) 11.980 7.457 ( 21.729 -13.927 1.380) 25.846 7.893 ( 9.697 9.307 0.122) 13.441 8.616 ( 2.419 3.654 -1.312) 4.574 8.966 ( 6.123 -6.590 2.694) 9.390 9.336 ( -5.788 -16.597 4.787) 18.217 9.988 ( -5.120 -20.138 -6.447) 21.756 10.304 ( -5.021 3.284 0.807) 6.053 11.004 ( -7.095 0.833 3.574) 7.988 11.213 ( 7.144 14.551 10.764) 19.459 11.639 ( -0.302 -8.338 -2.941) 8.847 11.998 ( 9.065 1.405 -8.232) 12.325 12.483 ( 9.722 8.494 -2.660) 13.181 12.985 ( -5.910 2.125 -3.052) 6.982 14.057 ( -0.465 5.216 -3.220) 6.148 14.259 ( -13.147 -12.079 6.032) 18.845 14.560 ( 2.127 10.225 -4.112) 11.224 15.699 ( -6.703 15.158 2.660) 16.786 16.357 ( 2.774 -13.979 16.329) 21.674 17.202 ( 5.428 5.025 3.925) 8.374 17.970 ( 4.194 -1.344 6.882) 8.171 18.458 ( 3.116 0.315 -8.923) 9.456 20.055 ( -9.069 -8.469 -10.857) 16.488 20.514 ( -0.350 2.027 -2.430) 3.183 20.667 ( -3.195 0.040 4.455) 5.482 21.494 ( 8.813 -1.316 -6.353) 10.943 ======================= Grid point 212 (111/294) ======================= q-point: ( 0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( -7.648 29.786 14.656) 34.066 3.692 ( -10.244 19.081 25.984) 33.826 5.313 ( -1.444 7.242 7.794) 10.737 5.490 ( -1.030 0.339 -1.105) 1.549 6.935 ( -10.290 6.956 -9.132) 15.416 7.579 ( 5.587 -10.160 -2.862) 11.943 8.152 ( 16.194 -0.756 0.309) 16.215 8.607 ( -5.122 1.964 -6.812) 8.746 8.977 ( 4.088 -13.061 5.039) 14.584 9.155 ( -0.188 -18.460 9.101) 20.583 9.751 ( 4.242 -16.929 -5.436) 18.279 10.234 ( -6.983 -1.005 1.997) 7.332 10.887 ( -9.322 -1.750 6.720) 11.624 11.443 ( 0.315 12.034 3.358) 12.497 11.678 ( 7.752 5.764 -2.466) 9.970 12.063 ( 4.486 -1.236 -7.940) 9.203 12.683 ( 2.904 0.355 -0.619) 2.990 12.880 ( -1.763 6.796 -4.437) 8.305 13.878 ( -17.213 -12.628 5.024) 21.931 14.169 ( 4.596 11.934 -1.338) 12.858 14.702 ( 3.244 7.888 -2.959) 9.027 15.795 ( -2.686 15.761 3.529) 16.373 16.354 ( 2.466 -12.141 13.091) 18.024 17.360 ( 3.970 5.642 3.068) 7.551 18.087 ( 3.784 1.290 9.567) 10.369 18.491 ( 4.229 2.640 -6.876) 8.493 19.771 ( -5.654 -10.021 -10.502) 15.578 20.505 ( -1.721 2.882 -4.082) 5.285 20.628 ( -2.415 -2.938 4.915) 6.215 21.528 ( 3.499 -4.740 -7.422) 9.476 ======================= Grid point 213 (112/294) ======================= q-point: ( 0.33 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( 3.156 23.393 15.034) 27.986 3.920 ( -3.186 23.674 21.236) 31.962 5.448 ( 1.262 11.909 7.656) 14.214 5.527 ( 4.156 1.138 1.601) 4.597 6.767 ( -10.917 8.544 -11.058) 17.733 7.448 ( -5.803 -6.411 -6.899) 11.062 8.296 ( 5.409 -18.865 -3.661) 19.964 8.529 ( 0.111 8.001 -0.962) 8.060 8.871 ( 1.186 -16.704 -4.759) 17.409 9.080 ( 1.884 -20.562 19.598) 28.468 9.724 ( 11.830 -14.155 -2.703) 18.644 10.081 ( -8.820 -2.997 2.863) 9.746 10.776 ( -6.262 0.176 5.271) 8.187 11.595 ( 4.278 12.336 -5.266) 14.078 11.809 ( -3.038 7.847 -1.503) 8.547 12.054 ( 2.098 0.611 -5.492) 5.911 12.569 ( -3.834 -6.885 0.350) 7.889 13.051 ( 5.806 10.633 -0.989) 12.155 13.535 ( -12.155 -7.932 1.280) 14.570 14.415 ( 8.389 12.066 1.169) 14.743 14.758 ( 0.069 2.288 -0.559) 2.356 15.908 ( -4.040 11.728 4.462) 13.182 16.399 ( 4.871 -3.002 7.707) 9.599 17.468 ( 0.485 4.998 2.549) 5.632 18.236 ( 2.192 4.439 13.704) 14.571 18.537 ( 3.139 2.348 -9.534) 10.308 19.571 ( 1.585 -10.730 -8.913) 14.039 20.452 ( -3.822 1.998 -5.257) 6.800 20.606 ( -0.015 -3.744 5.405) 6.575 21.440 ( -1.393 -6.954 -7.100) 10.035 ======================= Grid point 214 (113/294) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.831 ( 4.324 9.250 10.512) 14.655 4.297 ( 3.407 24.624 18.052) 30.722 5.601 ( 4.062 -2.723 7.370) 8.845 5.713 ( 5.074 19.553 -0.445) 20.206 6.623 ( -9.461 10.644 -8.038) 16.353 7.245 ( -6.977 -0.792 -9.415) 11.746 8.060 ( -0.326 -26.227 -5.266) 26.752 8.538 ( -7.683 -9.146 0.924) 11.980 8.644 ( -9.497 -0.813 -1.251) 9.614 9.123 ( 13.679 -20.569 20.293) 31.969 9.775 ( 8.687 -13.378 -2.470) 16.141 9.982 ( 0.968 -0.779 0.360) 1.294 10.779 ( 1.730 3.206 4.127) 5.505 11.626 ( -7.261 -1.154 -10.260) 12.622 11.765 ( -6.740 13.803 -0.009) 15.361 12.117 ( 5.520 2.578 -4.078) 7.331 12.512 ( 2.450 -5.098 3.589) 6.698 13.152 ( -4.875 8.793 -0.113) 10.055 13.380 ( -0.736 -2.929 -1.804) 3.518 14.577 ( 4.381 -3.247 -1.602) 5.683 14.846 ( 2.425 11.475 4.812) 12.677 15.932 ( -5.863 5.367 5.749) 9.810 16.549 ( 6.492 5.952 3.342) 9.420 17.495 ( -3.838 2.518 3.213) 5.603 18.405 ( 0.464 6.218 16.668) 17.796 18.497 ( -1.818 1.985 -14.974) 15.214 19.514 ( 9.413 -10.893 -7.528) 16.246 20.374 ( -2.839 1.226 -4.986) 5.867 20.611 ( 0.688 -3.388 4.983) 6.065 21.285 ( -3.709 -6.890 -5.420) 9.518 ======================= Grid point 215 (114/294) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.053 ( 9.242 4.771 5.803) 11.910 4.659 ( 3.415 16.004 15.616) 22.620 5.614 ( -2.421 -3.831 0.965) 4.633 5.950 ( 1.993 14.498 -1.728) 14.736 6.588 ( -5.781 13.471 0.637) 14.673 7.087 ( -6.886 2.289 -11.366) 13.485 7.749 ( -1.904 -25.450 -6.582) 26.356 8.139 ( -15.937 -14.665 0.861) 21.675 8.676 ( 3.644 5.945 5.164) 8.677 9.254 ( 5.990 -15.200 15.776) 22.711 9.730 ( 3.973 -7.620 -1.058) 8.659 10.127 ( 17.543 -4.548 -3.024) 18.374 10.912 ( 6.051 2.221 3.384) 7.280 11.383 ( -12.298 2.287 -6.392) 14.048 11.761 ( -7.234 8.702 0.050) 11.317 12.202 ( 6.036 -1.026 -5.521) 8.244 12.564 ( 2.281 1.016 4.008) 4.722 13.105 ( -10.031 6.641 -3.770) 12.606 13.344 ( 1.473 -2.265 0.279) 2.716 14.590 ( 5.973 -7.967 0.913) 9.999 15.009 ( -1.298 11.571 1.536) 11.744 15.917 ( -4.021 2.913 5.830) 7.658 16.744 ( 6.114 6.467 3.889) 9.713 17.425 ( -7.840 -0.543 3.214) 8.491 18.347 ( -5.042 1.411 -18.598) 19.321 18.563 ( -2.537 7.787 17.431) 19.259 19.550 ( 12.262 -11.174 -7.911) 18.379 20.342 ( 0.711 2.520 -4.362) 5.087 20.623 ( 1.036 -3.163 4.863) 5.893 21.137 ( -3.815 -4.585 -3.075) 6.710 ======================= Grid point 216 (115/294) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.316 ( 14.170 2.863 3.320) 14.833 4.901 ( 1.162 8.300 11.459) 14.196 5.469 ( -7.115 -5.905 -4.075) 10.105 5.995 ( -7.851 6.157 -0.485) 9.989 6.668 ( -1.932 8.131 2.973) 8.870 6.849 ( -13.962 -2.792 -6.772) 15.767 7.495 ( 0.890 -11.685 -3.192) 12.145 7.880 ( -4.153 -0.852 -3.801) 5.694 8.867 ( 7.491 2.775 4.243) 9.045 9.219 ( -0.176 -12.090 8.519) 14.791 9.788 ( 8.767 -7.352 3.404) 11.938 10.396 ( 21.504 -4.334 -4.269) 22.348 10.986 ( 1.908 -2.230 -0.472) 2.972 11.283 ( -3.755 10.447 -1.357) 11.184 11.703 ( -9.614 7.292 1.281) 12.134 12.183 ( -2.162 -8.336 -2.914) 9.092 12.638 ( -0.142 7.644 0.415) 7.657 12.892 ( -14.059 4.458 -3.554) 15.171 13.443 ( 10.329 -2.627 2.932) 11.053 14.634 ( 6.169 -6.464 0.120) 8.936 15.017 ( -7.574 6.561 -1.413) 10.120 15.946 ( 0.539 1.989 5.791) 6.147 16.880 ( 1.974 -1.328 4.789) 5.347 17.278 ( -9.672 -0.689 1.835) 9.869 18.155 ( -6.678 3.474 -17.945) 19.460 18.673 ( -4.013 5.996 15.132) 16.764 19.605 ( 12.257 -10.075 -7.302) 17.466 20.392 ( 3.820 4.098 -4.163) 6.980 20.648 ( 2.117 -2.638 4.884) 5.941 21.038 ( -3.413 -0.861 -0.867) 3.626 ======================= Grid point 217 (116/294) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.599 ( 14.483 0.354 2.360) 14.678 4.965 ( -6.499 1.498 4.058) 7.806 5.254 ( -6.436 -7.927 -2.562) 10.527 5.844 ( -14.305 4.704 0.302) 15.061 6.445 ( -4.069 -23.578 -5.457) 24.541 6.750 ( -8.312 11.958 1.355) 14.626 7.614 ( 9.451 12.157 9.846) 18.277 7.889 ( 4.732 8.205 -10.782) 14.352 8.931 ( -2.401 -1.242 -0.275) 2.718 9.202 ( 6.457 -10.264 4.556) 12.954 9.871 ( 7.171 -9.563 4.801) 12.881 10.675 ( 18.668 -3.073 -7.604) 20.390 11.030 ( 1.723 6.091 0.303) 6.337 11.335 ( 1.274 2.732 -2.249) 3.761 11.555 ( -18.365 4.852 3.608) 19.334 11.929 ( -12.075 -8.288 0.544) 14.656 12.707 ( -0.740 9.870 -3.257) 10.419 12.825 ( 2.079 3.214 1.741) 4.205 13.616 ( 9.149 -2.077 3.410) 9.982 14.627 ( 0.004 -4.120 -4.375) 6.009 14.927 ( -5.958 2.486 0.500) 6.476 16.025 ( 2.418 0.141 5.602) 6.103 16.797 ( -4.831 -10.645 -1.029) 11.735 17.147 ( -8.256 1.050 2.517) 8.695 17.993 ( -6.027 3.663 -11.002) 13.068 18.732 ( -2.854 3.416 9.011) 10.050 19.690 ( 11.570 -6.342 -3.598) 13.676 20.468 ( 3.030 3.689 -4.466) 6.538 20.715 ( 5.050 -1.185 4.407) 6.807 20.989 ( -3.721 2.798 0.277) 4.664 ======================= Grid point 218 (117/294) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.698 ( -14.546 -2.333 4.683) 15.458 4.850 ( 5.930 -4.720 -4.431) 8.779 5.083 ( -4.790 -8.615 0.659) 9.879 5.670 ( -10.045 4.264 0.051) 10.912 6.243 ( 5.906 -14.092 -1.399) 15.343 6.730 ( -3.258 4.022 0.240) 5.181 8.024 ( 8.493 17.520 -13.255) 23.554 8.084 ( 13.333 18.586 15.578) 27.675 8.820 ( -5.487 -4.855 -0.955) 7.389 9.237 ( 4.734 -5.373 -5.094) 8.788 9.882 ( 1.867 -12.600 8.459) 15.290 10.791 ( -4.880 0.636 -9.524) 10.721 10.981 ( -12.023 7.525 2.091) 14.337 11.338 ( 1.495 -5.286 -2.578) 6.069 11.438 ( 8.462 -3.748 6.050) 11.057 11.754 ( -5.874 0.491 0.399) 5.908 12.767 ( 0.652 3.553 -1.397) 3.873 12.957 ( 5.705 5.993 0.364) 8.282 13.699 ( -0.003 -0.336 0.546) 0.641 14.564 ( 0.647 -1.936 -0.744) 2.173 14.875 ( -3.292 0.697 -0.164) 3.369 16.040 ( -3.488 -3.051 2.407) 5.222 16.613 ( -1.545 -10.048 -1.594) 10.290 17.020 ( -8.112 0.054 -0.012) 8.112 17.887 ( -4.713 0.318 -1.200) 4.873 18.756 ( -0.070 0.087 0.880) 0.887 19.832 ( 10.303 -1.106 1.849) 10.526 20.503 ( 0.988 2.262 -3.764) 4.501 20.841 ( 6.712 0.576 3.183) 7.451 20.957 ( -4.211 4.426 -1.122) 6.211 ======================= Grid point 219 (118/294) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.360 ( -23.722 -1.382 6.180) 24.552 4.722 ( -13.041 -7.387 -0.994) 15.021 5.028 ( 8.736 -10.053 -1.718) 13.429 5.642 ( 1.083 5.860 0.852) 6.020 6.332 ( 12.471 -2.781 1.443) 12.858 6.728 ( 2.673 -1.992 -2.283) 4.040 8.236 ( 8.770 15.379 -13.520) 22.276 8.642 ( 5.767 15.840 15.092) 22.626 8.682 ( 2.712 3.169 2.692) 4.964 9.048 ( -16.648 -4.991 -16.649) 24.067 9.870 ( 4.010 -8.051 16.316) 18.630 10.533 ( -14.229 1.513 5.152) 15.208 10.984 ( -0.526 0.741 -1.561) 1.806 11.301 ( 4.000 -3.850 -6.829) 8.801 11.553 ( 0.184 -0.574 -1.791) 1.890 11.767 ( 10.106 -3.845 2.442) 11.085 12.725 ( -4.841 -4.023 -2.660) 6.833 13.095 ( 4.289 4.966 -2.693) 7.093 13.663 ( -4.268 4.567 -0.793) 6.301 14.616 ( 3.564 -0.838 5.712) 6.785 14.814 ( -2.145 -1.597 -2.458) 3.632 15.903 ( -7.045 -2.296 -2.144) 7.714 16.512 ( -4.517 -7.832 6.135) 10.926 16.921 ( -1.562 1.139 -3.705) 4.179 17.824 ( -2.532 -3.456 5.490) 6.964 18.736 ( 1.806 -3.808 -6.450) 7.705 20.037 ( 9.422 3.879 6.656) 12.171 20.512 ( 0.332 1.797 -3.036) 3.544 20.886 ( -8.208 5.240 1.882) 9.918 20.991 ( 9.049 -0.702 -4.184) 9.995 ======================= Grid point 220 (119/294) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.991 ( -25.949 1.502 12.120) 28.680 4.369 ( -20.758 -4.636 0.229) 21.271 5.077 ( 9.361 -10.234 -0.871) 13.897 5.806 ( 7.910 6.664 2.156) 10.565 6.547 ( 7.523 6.384 0.866) 9.905 6.782 ( 14.950 -8.191 -6.304) 18.175 8.317 ( -23.617 4.497 -4.188) 24.403 8.522 ( -2.456 4.649 -0.824) 5.322 8.611 ( -2.187 -2.333 -13.748) 14.115 9.215 ( 13.800 17.223 14.486) 26.399 10.057 ( 8.865 0.369 15.109) 17.522 10.433 ( -4.252 -0.081 7.360) 8.501 10.898 ( -6.810 -4.843 1.709) 8.529 11.302 ( 5.816 -4.466 -12.994) 14.920 11.509 ( -3.264 6.754 -3.473) 8.266 11.922 ( 12.175 -9.431 0.390) 15.405 12.523 ( -8.675 -7.011 -3.090) 11.574 13.143 ( 0.101 2.706 -6.091) 6.666 13.675 ( -2.118 9.129 1.092) 9.435 14.658 ( 0.696 -6.354 3.554) 7.314 14.777 ( 0.883 -0.994 -1.092) 1.721 15.796 ( -4.554 2.852 -1.006) 5.466 16.364 ( -10.734 -4.140 10.744) 15.742 16.936 ( 3.519 0.021 -2.398) 4.258 17.804 ( 0.306 -5.032 7.866) 9.343 18.667 ( 2.651 -6.501 -11.428) 13.412 20.291 ( 8.454 6.643 8.779) 13.880 20.516 ( 0.138 1.668 -2.210) 2.772 20.774 ( -9.393 2.843 -2.568) 10.144 21.103 ( 8.337 -0.971 -4.701) 9.620 ======================= Grid point 223 (120/294) ======================= q-point: ( 0.17 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.726 ( -18.462 15.979 6.576) 25.287 4.155 ( -16.614 15.227 21.243) 30.970 5.020 ( 14.314 -11.109 1.616) 18.191 5.833 ( -15.296 4.279 -1.344) 15.940 6.864 ( 26.619 -14.519 0.823) 30.332 7.064 ( 5.135 -6.602 -8.035) 11.598 8.106 ( -8.465 22.908 -1.436) 24.465 8.618 ( 3.336 3.931 4.277) 6.699 8.860 ( 2.608 -2.249 2.461) 4.233 9.298 ( -5.321 -13.699 0.707) 14.713 9.846 ( -8.078 -21.756 -9.920) 25.239 10.534 ( -11.672 9.852 5.948) 16.392 10.956 ( 15.598 0.348 -6.546) 16.919 11.274 ( 0.268 4.701 7.485) 8.843 11.486 ( 4.964 -5.971 -7.217) 10.601 11.908 ( 0.216 -3.030 7.617) 8.200 12.413 ( 6.145 10.409 -3.779) 12.664 13.061 ( -2.560 3.599 -4.599) 6.376 14.018 ( 1.636 -4.374 -5.781) 7.431 14.387 ( -4.039 0.965 5.028) 6.521 14.634 ( -2.235 4.606 1.284) 5.278 15.995 ( -9.279 13.008 2.727) 16.209 16.305 ( 0.771 -12.987 18.075) 22.270 17.157 ( 7.160 2.416 3.365) 8.271 17.798 ( 9.358 -5.264 -5.504) 12.066 18.478 ( -0.837 6.443 5.007) 8.203 20.075 ( -10.767 -7.685 -12.822) 18.423 20.521 ( 0.092 1.680 -1.750) 2.428 20.778 ( -5.706 2.268 4.159) 7.416 21.271 ( 10.584 -2.598 -5.906) 12.396 ======================= Grid point 224 (121/294) ======================= q-point: ( 0.25 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.716 ( -12.540 25.735 10.504) 30.494 4.194 ( -12.172 16.158 20.413) 28.739 5.174 ( 12.928 -7.825 3.784) 15.579 5.658 ( -10.125 6.283 -0.049) 11.916 6.957 ( 3.171 -13.997 -6.895) 15.922 7.197 ( 22.208 -7.166 -3.056) 23.535 8.117 ( -6.427 9.044 -5.445) 12.359 8.684 ( -4.528 0.727 -3.668) 5.873 8.878 ( 1.520 -2.393 0.902) 2.975 9.043 ( -3.223 -18.523 6.195) 19.796 9.569 ( -1.458 -10.718 -1.308) 10.895 10.433 ( -13.042 4.747 4.980) 14.745 11.031 ( -4.878 -1.680 3.681) 6.338 11.443 ( 18.401 -0.224 -6.651) 19.567 11.560 ( 1.760 9.943 1.337) 10.186 11.916 ( 4.119 -7.230 1.371) 8.433 12.608 ( 7.170 8.614 -4.214) 11.974 12.976 ( -6.497 1.845 -5.958) 9.006 13.974 ( -2.456 -9.154 2.799) 9.882 14.260 ( -6.437 5.418 0.094) 8.414 14.743 ( 1.339 8.022 1.567) 8.282 16.013 ( -4.862 12.955 2.753) 14.109 16.304 ( 1.046 -10.782 15.637) 19.022 17.334 ( 7.483 3.469 3.462) 8.945 17.910 ( 12.411 -2.605 -5.595) 13.860 18.569 ( -2.136 7.971 9.196) 12.356 19.743 ( -9.797 -8.353 -12.897) 18.223 20.527 ( -0.372 2.133 -2.125) 3.034 20.703 ( -5.941 -0.938 2.723) 6.603 21.345 ( 6.888 -5.249 -6.970) 11.116 ======================= Grid point 225 (122/294) ======================= q-point: ( 0.33 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.877 ( -6.961 21.751 11.378) 25.515 4.320 ( -5.487 19.606 16.193) 26.014 5.346 ( 11.168 -4.386 5.611) 13.245 5.640 ( -2.583 11.220 2.568) 11.796 6.815 ( 0.082 -9.120 -10.039) 13.563 7.384 ( 7.143 -3.643 -6.036) 10.036 8.068 ( 3.500 -5.342 -5.111) 8.180 8.381 ( -5.016 -19.440 -13.424) 24.151 8.873 ( -2.943 -2.276 5.506) 6.645 9.014 ( 1.575 -6.492 12.395) 14.081 9.516 ( 1.323 -4.419 4.056) 6.142 10.257 ( -12.831 -0.125 3.892) 13.409 10.925 ( -7.866 -1.073 4.745) 9.249 11.618 ( 2.044 8.352 -4.832) 9.863 11.777 ( 11.979 6.864 -4.154) 14.417 11.931 ( 6.128 -6.943 -0.972) 9.311 12.642 ( -7.775 0.520 -4.978) 9.247 12.965 ( 8.723 5.888 -4.015) 11.264 13.719 ( -14.967 -11.030 6.950) 19.849 14.389 ( 6.689 11.354 -2.570) 13.426 14.806 ( -0.585 3.807 2.655) 4.678 16.080 ( -3.083 5.766 5.612) 8.616 16.355 ( 4.052 -0.071 7.973) 8.944 17.497 ( 4.589 4.380 2.782) 6.927 18.085 ( 13.781 -1.227 -5.040) 14.725 18.662 ( -4.352 8.875 11.692) 15.310 19.448 ( -5.758 -8.843 -11.839) 15.859 20.508 ( -3.209 2.994 -4.912) 6.587 20.620 ( -2.788 -3.846 4.947) 6.858 21.317 ( 2.403 -7.117 -7.101) 10.337 ======================= Grid point 226 (123/294) ======================= q-point: ( 0.42 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.972 ( -5.006 8.264 7.605) 12.296 4.578 ( 0.609 20.148 12.405) 23.668 5.521 ( 8.041 -1.954 6.341) 10.425 5.814 ( 3.661 17.885 2.747) 18.462 6.688 ( 0.697 -4.860 -8.818) 10.092 7.310 ( -5.499 0.778 -10.541) 11.914 7.885 ( -8.376 -12.030 -8.594) 16.993 8.280 ( 18.602 -20.798 -5.946) 28.530 8.773 ( -7.517 -11.146 11.187) 17.490 9.032 ( -2.904 0.602 10.379) 10.795 9.558 ( 4.503 -3.287 5.257) 7.663 10.076 ( -9.835 -1.469 2.222) 10.189 10.833 ( -4.007 0.402 2.691) 4.844 11.636 ( -2.220 2.689 -8.898) 9.557 11.943 ( 4.246 5.429 -1.856) 7.138 12.004 ( 5.270 0.909 -2.032) 5.721 12.467 ( -5.397 -2.192 -2.555) 6.361 13.200 ( 10.677 6.589 -2.344) 12.763 13.435 ( -12.081 -5.982 4.960) 14.364 14.500 ( 1.012 -0.385 -3.029) 3.216 14.920 ( 4.457 9.621 3.922) 11.305 16.071 ( -4.057 -2.717 8.462) 9.770 16.523 ( 6.248 8.843 1.042) 10.877 17.590 ( -0.488 4.159 1.684) 4.513 18.251 ( 10.996 -1.884 -8.175) 13.831 18.732 ( -7.325 11.189 13.196) 18.788 19.262 ( 2.330 -9.996 -8.653) 13.425 20.422 ( -4.808 1.374 -4.839) 6.959 20.600 ( 0.118 -3.276 5.119) 6.078 21.221 ( -0.564 -6.699 -5.662) 8.789 ======================= Grid point 227 (124/294) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.016 ( 1.459 1.956 4.095) 4.767 4.818 ( 2.053 10.633 8.415) 13.715 5.603 ( 0.770 -3.104 0.891) 3.320 6.072 ( 2.045 18.544 1.254) 18.698 6.664 ( 3.833 -2.656 -1.991) 5.070 7.158 ( -5.300 2.775 -12.462) 13.824 7.615 ( -7.252 -5.670 -6.168) 11.081 8.244 ( -4.585 -11.727 0.399) 12.598 8.627 ( 1.955 -15.899 11.893) 19.951 9.112 ( 5.519 -1.477 8.738) 10.440 9.627 ( 2.504 -3.714 2.936) 5.355 9.944 ( -1.811 -1.872 -1.091) 2.824 10.850 ( 3.267 0.175 0.447) 3.302 11.526 ( -6.177 1.944 -4.769) 8.042 11.990 ( -8.663 8.820 0.774) 12.387 12.062 ( 6.177 0.084 -6.583) 9.028 12.457 ( 7.622 -4.172 1.791) 8.872 13.259 ( -6.747 1.262 1.156) 6.961 13.357 ( 0.888 2.920 -1.976) 3.636 14.464 ( 1.548 -5.116 -0.189) 5.348 15.101 ( 2.688 8.903 -0.210) 9.302 16.016 ( -3.539 -4.717 7.851) 9.819 16.719 ( 6.233 7.457 1.232) 9.797 17.572 ( -6.117 2.618 -0.314) 6.661 18.276 ( 1.887 -0.112 -15.798) 15.911 18.820 ( -5.489 10.241 16.999) 20.590 19.217 ( 8.829 -10.697 -6.206) 15.195 20.349 ( -1.924 1.697 -3.668) 4.476 20.606 ( 0.586 -3.058 4.815) 5.734 21.124 ( -1.390 -3.596 -2.966) 4.864 ======================= Grid point 228 (125/294) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.129 ( 9.425 -1.603 2.219) 9.815 4.955 ( 3.312 0.746 4.164) 5.373 5.500 ( -6.046 -4.419 -5.597) 9.349 6.208 ( -5.154 12.798 1.525) 13.880 6.593 ( -2.776 -18.729 -5.764) 19.792 7.103 ( -3.822 17.090 -5.396) 18.324 7.485 ( -4.194 5.967 -0.638) 7.322 8.017 ( -13.133 -2.766 7.669) 15.457 8.698 ( 12.364 -9.729 8.071) 17.683 9.201 ( 1.235 -5.807 5.613) 8.170 9.609 ( 4.493 -7.355 0.034) 8.619 10.019 ( 12.450 -1.155 -4.421) 13.262 10.890 ( 3.737 -3.996 -1.858) 5.778 11.478 ( -4.784 10.483 0.234) 11.526 11.910 ( -8.601 4.667 2.832) 10.187 12.095 ( 2.168 -0.832 -6.632) 7.027 12.598 ( 9.578 -2.775 4.482) 10.933 13.167 ( -10.550 5.622 -6.039) 13.393 13.329 ( -0.108 -0.780 2.254) 2.388 14.484 ( 5.407 -3.981 0.958) 6.782 15.141 ( -3.436 2.653 -3.635) 5.662 15.977 ( -0.595 -3.792 6.068) 7.180 16.855 ( 2.572 -0.943 3.842) 4.719 17.449 ( -9.111 3.002 -3.725) 10.290 18.164 ( -3.404 3.565 -18.807) 19.442 18.903 ( -6.204 3.101 16.618) 18.007 19.270 ( 12.087 -7.186 -4.112) 14.651 20.356 ( 2.080 3.132 -2.759) 4.663 20.620 ( 1.239 -2.907 4.603) 5.583 21.080 ( -1.364 1.178 0.036) 1.803 ======================= Grid point 229 (126/294) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.310 ( 15.013 -6.507 0.162) 16.363 4.994 ( 3.532 -8.646 1.658) 9.486 5.277 ( -10.138 -4.609 -6.679) 12.985 6.169 ( -14.746 1.957 -7.569) 16.690 6.224 ( -3.898 -14.012 -1.858) 14.662 7.151 ( -13.966 21.242 -2.029) 25.503 7.671 ( 9.312 14.614 15.025) 22.936 7.902 ( -4.276 5.355 0.396) 6.864 8.860 ( 8.371 -5.793 3.994) 10.935 9.132 ( -3.444 -4.743 3.248) 6.702 9.655 ( 10.160 -12.725 2.038) 16.410 10.230 ( 19.093 -2.868 -9.448) 21.495 10.919 ( 7.015 -3.577 -2.606) 8.294 11.508 ( -7.704 13.041 0.894) 15.173 11.826 ( -8.698 2.728 1.671) 9.268 12.015 ( -5.739 -5.301 -0.767) 7.850 12.763 ( 7.594 1.087 5.061) 9.190 12.952 ( -14.107 7.372 -5.084) 16.709 13.436 ( 10.245 -1.064 2.409) 10.578 14.538 ( 3.518 -2.286 -1.951) 4.627 15.023 ( -5.985 -3.437 -2.581) 7.368 16.001 ( 2.869 -2.387 4.302) 5.696 16.779 ( -5.887 -11.372 0.225) 12.807 17.320 ( -8.311 5.480 -4.061) 10.751 18.035 ( -3.765 4.184 -14.842) 15.873 18.866 ( -5.930 -3.556 8.333) 10.828 19.435 ( 12.336 -1.156 2.688) 12.678 20.425 ( 3.474 3.422 -2.717) 5.582 20.654 ( 2.950 -2.288 3.951) 5.436 21.093 ( -2.262 5.617 2.206) 6.445 ======================= Grid point 230 (127/294) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.469 ( 16.254 -14.440 -4.000) 22.107 4.908 ( -0.480 -16.315 2.103) 16.457 5.014 ( -11.292 -5.264 -4.452) 13.230 5.854 ( -1.931 -8.033 -11.832) 14.431 6.147 ( -10.996 11.026 3.338) 15.926 7.059 ( -17.342 14.421 5.770) 23.281 7.965 ( 5.543 10.780 -8.556) 14.837 8.168 ( 13.712 21.340 18.050) 31.132 8.851 ( -3.516 -4.144 -1.451) 5.625 9.106 ( 2.722 -3.011 1.168) 4.224 9.705 ( 8.979 -16.320 7.293) 20.004 10.459 ( 19.849 -3.945 -14.593) 24.950 11.015 ( 10.413 -5.279 -4.037) 12.353 11.443 ( -17.089 10.478 -0.429) 20.050 11.630 ( -13.700 -0.031 4.671) 14.475 11.859 ( -6.905 -2.840 1.626) 7.641 12.835 ( -3.843 2.685 -0.898) 4.773 12.942 ( 4.406 7.077 4.273) 9.368 13.619 ( 9.230 0.269 0.289) 9.238 14.518 ( 0.130 -2.097 -3.300) 3.912 14.901 ( -2.377 -4.974 -0.481) 5.534 16.047 ( 1.437 -2.890 2.676) 4.193 16.523 ( -4.976 -12.981 -5.069) 14.797 17.198 ( -9.949 4.434 -2.612) 11.201 17.941 ( -3.223 1.014 -6.182) 7.045 18.765 ( -3.667 -5.561 1.004) 6.736 19.676 ( 11.646 2.903 6.719) 13.755 20.481 ( 1.762 1.967 -2.438) 3.594 20.729 ( 5.824 -1.114 1.577) 6.135 21.120 ( -4.866 7.936 3.009) 9.783 ======================= Grid point 231 (128/294) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.512 ( 12.821 -20.644 -5.815) 24.987 4.721 ( -9.028 -12.586 -3.535) 15.887 4.765 ( -3.375 -8.071 3.762) 9.523 5.810 ( 0.423 7.779 -7.297) 10.675 6.134 ( -1.523 7.714 3.181) 8.482 6.945 ( -15.053 9.355 8.770) 19.774 8.154 ( 9.048 15.689 -13.977) 22.878 8.671 ( 4.942 2.940 4.783) 7.480 8.754 ( 4.188 7.809 11.328) 14.382 9.099 ( -3.031 2.199 -8.925) 9.678 9.745 ( 8.457 -16.313 15.961) 24.340 10.608 ( 12.023 -2.492 -17.209) 21.140 11.062 ( 3.386 -4.842 -7.105) 9.240 11.145 ( -18.136 1.192 7.403) 19.625 11.606 ( -0.605 5.841 7.074) 9.194 11.726 ( -5.834 -2.523 -2.012) 6.667 12.771 ( -4.973 -2.766 -0.338) 5.700 13.090 ( 2.565 5.963 2.108) 6.825 13.718 ( 1.815 3.542 -2.538) 4.721 14.545 ( 5.850 -1.633 3.054) 6.799 14.800 ( -2.882 -5.834 -3.609) 7.441 15.972 ( -5.689 -3.253 -2.080) 6.876 16.408 ( 6.048 -9.702 -0.771) 11.459 17.053 ( -10.131 4.314 -1.559) 11.121 17.863 ( -3.019 -3.022 1.198) 4.436 18.653 ( -1.939 -5.920 -4.171) 7.498 19.957 ( 11.104 5.966 8.312) 15.099 20.501 ( 0.730 1.015 -1.789) 2.182 20.825 ( 6.621 -1.394 -2.791) 7.319 21.106 ( -8.074 7.792 3.161) 11.658 ======================= Grid point 232 (129/294) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.370 ( -6.798 -16.434 1.204) 17.825 4.508 ( -8.436 1.272 2.049) 8.774 4.721 ( 11.384 -15.742 -2.917) 19.644 5.859 ( -2.170 12.515 -2.350) 12.918 6.326 ( 15.163 3.253 1.820) 15.614 6.831 ( -13.476 6.404 6.219) 16.165 8.378 ( 9.013 14.388 -13.427) 21.645 8.581 ( -3.351 -2.100 -0.879) 4.051 8.771 ( -16.176 -7.661 -9.168) 20.109 9.220 ( 9.620 10.098 11.722) 18.219 9.938 ( 13.823 -4.024 17.817) 22.907 10.614 ( -0.961 3.973 -7.462) 8.508 10.920 ( -7.556 -4.724 0.452) 8.923 11.084 ( 3.726 -1.439 -5.981) 7.192 11.603 ( -4.066 -1.239 -1.875) 4.646 11.722 ( 4.398 0.582 4.565) 6.365 12.601 ( -8.711 -6.274 -0.523) 10.748 13.154 ( -0.611 3.540 -1.607) 3.935 13.769 ( 0.475 7.221 -1.481) 7.387 14.606 ( -1.641 -9.628 0.980) 9.816 14.710 ( 4.495 -0.274 -1.937) 4.902 15.871 ( -2.619 1.702 -1.128) 3.321 16.433 ( 3.632 -8.259 4.743) 10.193 16.950 ( -5.581 4.120 -0.486) 6.954 17.801 ( -1.348 -5.445 4.304) 7.071 18.538 ( -1.266 -5.085 -6.550) 8.388 20.254 ( 10.124 7.615 7.667) 14.807 20.512 ( 0.662 0.839 -0.689) 1.271 20.852 ( 1.242 -2.280 -8.408) 8.800 21.060 ( -5.916 5.236 3.449) 8.620 ======================= Grid point 236 (130/294) ======================= q-point: ( 0.17 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.103 ( -3.879 12.055 2.888) 12.989 4.611 ( 11.593 -5.393 4.192) 13.456 4.677 ( -7.459 5.850 11.813) 15.146 6.118 ( -5.019 -0.275 5.083) 7.149 6.406 ( 0.968 -10.895 -2.047) 11.128 6.825 ( 7.385 -7.598 -4.484) 11.505 8.356 ( -0.278 14.462 -9.206) 17.146 8.655 ( 2.050 8.149 3.794) 9.220 8.855 ( -1.702 -3.294 5.489) 6.624 9.259 ( -0.363 -6.344 0.412) 6.368 9.690 ( -6.125 -20.462 -13.966) 25.520 10.554 ( 17.698 -1.868 -14.588) 23.011 10.837 ( -2.198 5.806 3.180) 6.975 11.318 ( -9.695 -2.913 4.923) 11.257 11.458 ( 1.506 11.315 2.426) 11.670 11.949 ( -3.690 -9.894 12.837) 16.622 12.422 ( 4.680 11.127 -1.593) 12.176 13.104 ( -2.702 3.316 -4.334) 6.090 13.894 ( 2.342 -5.424 -6.102) 8.494 14.446 ( 1.859 3.461 1.216) 4.113 14.716 ( -1.374 3.201 2.201) 4.121 16.214 ( 0.184 2.654 8.227) 8.647 16.287 ( -1.185 -8.970 10.832) 14.114 17.056 ( 6.027 -2.024 3.312) 7.169 17.604 ( 4.366 0.545 -7.556) 8.744 18.617 ( -1.445 7.749 10.075) 12.792 20.101 ( -10.230 -6.989 -13.900) 18.620 20.523 ( 0.600 1.989 -1.934) 2.838 20.952 ( -8.168 4.005 4.421) 10.115 21.033 ( 10.001 -3.419 -4.753) 11.589 ======================= Grid point 237 (131/294) ======================= q-point: ( 0.25 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.192 ( -8.435 22.576 6.283) 24.906 4.647 ( -12.423 11.684 14.533) 22.406 4.847 ( 18.176 -8.403 3.496) 20.328 5.944 ( -15.424 6.016 3.416) 16.905 6.475 ( 20.691 -25.642 1.166) 32.969 6.855 ( 10.180 -4.233 -8.356) 13.834 8.313 ( -11.774 7.401 -13.083) 19.094 8.694 ( -1.412 -4.688 -4.796) 6.853 8.846 ( 1.994 -3.649 4.961) 6.473 9.025 ( -11.437 -8.343 -5.268) 15.105 9.539 ( 1.908 -2.472 7.573) 8.191 10.789 ( -9.122 9.616 -1.435) 13.332 10.900 ( 22.586 2.219 -3.547) 22.970 11.170 ( -2.942 -4.175 0.993) 5.204 11.601 ( 2.775 8.079 -0.647) 8.567 11.840 ( -2.564 -13.586 9.990) 17.058 12.601 ( 3.211 11.211 -2.557) 11.939 13.037 ( -4.350 0.391 -5.861) 7.309 13.884 ( 4.381 -3.699 -2.326) 6.187 14.402 ( -5.694 -0.534 0.596) 5.750 14.811 ( 1.368 6.836 3.595) 7.844 16.232 ( -5.789 6.973 2.025) 9.286 16.279 ( 1.451 -9.629 15.445) 18.259 17.195 ( 10.899 -3.447 3.574) 11.977 17.695 ( 8.231 4.962 -7.162) 11.986 18.734 ( -0.860 6.179 11.922) 13.455 19.775 ( -11.234 -5.433 -13.503) 18.386 20.538 ( 0.123 2.018 -1.295) 2.400 20.834 ( -8.332 0.126 0.417) 8.343 21.131 ( 7.771 -4.367 -4.402) 9.942 ======================= Grid point 238 (132/294) ======================= q-point: ( 0.33 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.302 ( -11.199 20.125 7.738) 24.297 4.662 ( -6.629 12.337 10.462) 17.482 5.109 ( 16.011 -3.182 5.451) 17.210 5.852 ( -7.123 10.872 4.782) 13.850 6.505 ( 12.025 -22.956 -1.939) 25.988 7.024 ( 19.800 -5.702 -7.969) 22.092 8.009 ( -10.101 -9.951 -13.092) 19.299 8.372 ( -16.674 -5.291 -15.763) 23.548 8.853 ( 1.067 -8.835 9.588) 13.081 8.978 ( 5.197 -0.289 2.864) 5.941 9.613 ( -2.996 5.070 10.246) 11.818 10.593 ( -20.154 5.850 3.776) 21.323 11.054 ( -4.448 1.365 1.429) 4.867 11.438 ( 26.234 5.845 -4.217) 27.206 11.679 ( 1.601 4.132 -5.197) 6.830 11.753 ( 3.043 -12.981 6.285) 14.740 12.700 ( 0.460 6.812 -5.758) 8.932 12.916 ( -3.120 -0.343 -5.151) 6.032 13.835 ( -5.697 -10.306 5.338) 12.929 14.404 ( 2.278 9.548 -1.604) 9.947 14.869 ( -1.370 2.679 2.066) 3.650 16.195 ( -3.910 -3.284 6.644) 8.380 16.359 ( 3.162 5.210 6.212) 8.703 17.379 ( 12.240 -4.554 3.761) 13.591 17.867 ( 9.408 7.735 -7.507) 14.307 18.846 ( -0.036 2.436 13.808) 14.021 19.468 ( -11.690 -1.695 -11.873) 16.748 20.547 ( -0.900 2.590 -2.251) 3.547 20.695 ( -7.008 -2.385 1.594) 7.572 21.152 ( 4.453 -5.966 -5.480) 9.244 ======================= Grid point 239 (133/294) ======================= q-point: ( 0.42 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.248 ( -13.730 6.935 5.348) 16.286 4.796 ( -0.541 12.519 5.725) 13.777 5.369 ( 12.375 -0.604 5.396) 13.514 5.981 ( 1.310 18.065 4.959) 18.779 6.464 ( 7.691 -13.815 -3.259) 16.144 7.205 ( 10.979 -5.813 -10.462) 16.242 7.744 ( 8.163 -19.918 -7.917) 22.936 7.999 ( -15.401 2.078 -9.628) 18.281 8.808 ( -2.883 -11.394 11.117) 16.178 9.079 ( 3.864 0.071 1.537) 4.159 9.648 ( -5.291 3.920 10.569) 12.453 10.328 ( -18.047 2.678 3.160) 18.516 10.951 ( -8.303 -0.395 0.352) 8.320 11.643 ( -1.121 0.499 -5.655) 5.787 11.746 ( 10.513 -6.484 -0.375) 12.357 11.903 ( 13.825 7.537 -2.200) 15.898 12.608 ( -10.351 2.800 -5.190) 11.913 13.004 ( 13.273 2.767 -3.291) 13.952 13.614 ( -11.532 -9.452 7.852) 16.852 14.501 ( -1.171 4.298 -3.394) 5.600 14.929 ( 4.725 5.586 1.163) 7.408 16.125 ( -2.933 -7.754 7.497) 11.177 16.532 ( 4.664 10.589 1.036) 11.617 17.538 ( 9.420 -5.690 3.000) 11.407 18.042 ( 8.108 7.944 -10.593) 15.526 18.942 ( 2.329 -4.602 13.584) 14.530 19.228 ( -11.554 6.054 -6.866) 14.741 20.496 ( -5.367 1.891 -5.313) 7.785 20.613 ( -1.679 -3.027 5.694) 6.664 21.115 ( 2.033 -5.373 -4.901) 7.552 ======================= Grid point 240 (134/294) ======================= q-point: ( 0.50 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.109 ( -8.577 0.502 2.737) 9.017 4.889 ( 0.413 2.212 0.775) 2.380 5.531 ( 5.070 -1.817 -0.049) 5.386 6.215 ( 3.773 11.540 0.417) 12.148 6.502 ( 6.203 -0.433 0.437) 6.233 7.156 ( -0.890 -0.209 -7.600) 7.655 7.749 ( -6.601 6.376 -8.924) 12.801 7.880 ( 19.798 -14.869 1.710) 24.819 8.660 ( -9.098 -13.518 14.833) 22.034 9.106 ( 0.182 -1.091 -1.958) 2.248 9.648 ( -3.446 -0.101 7.539) 8.290 10.087 ( -14.246 0.463 2.622) 14.492 10.835 ( -2.837 0.183 -3.469) 4.485 11.578 ( -1.860 -1.103 -1.676) 2.735 11.881 ( 10.824 -1.968 -3.156) 11.445 12.119 ( 4.543 6.774 -0.646) 8.182 12.435 ( -9.070 2.733 -2.863) 9.896 13.257 ( 12.775 3.105 -3.283) 13.551 13.406 ( -9.470 -5.247 6.984) 12.883 14.437 ( -3.194 -1.468 -2.353) 4.231 15.090 ( 5.663 5.785 -3.027) 8.643 16.040 ( -2.380 -9.187 6.740) 11.640 16.711 ( 4.493 8.723 0.628) 9.832 17.598 ( 3.318 -6.112 -0.585) 6.979 18.141 ( 4.116 6.594 -15.226) 17.095 18.966 ( 4.813 -11.789 2.393) 12.957 19.162 ( -9.205 13.754 9.808) 19.238 20.392 ( -4.187 0.866 -3.639) 5.615 20.608 ( -0.443 -2.422 5.281) 5.827 21.079 ( 1.306 -1.939 -2.584) 3.484 ======================= Grid point 241 (135/294) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.028 ( -0.102 -4.123 0.763) 4.194 4.869 ( 2.193 -8.453 -3.762) 9.509 5.504 ( -2.458 -2.423 -6.383) 7.256 6.276 ( 2.105 -8.895 -3.055) 9.637 6.570 ( -5.629 7.875 0.855) 9.718 7.214 ( 3.499 14.072 -0.053) 14.500 7.664 ( -7.204 11.341 -4.547) 14.184 8.164 ( 16.578 -1.858 5.917) 17.700 8.473 ( -5.766 -14.169 16.698) 22.646 9.073 ( 4.086 -6.610 -4.400) 8.930 9.580 ( -6.593 -3.047 -0.672) 7.295 9.950 ( -3.355 1.609 2.661) 4.574 10.795 ( 0.840 -2.338 -4.601) 5.229 11.592 ( 1.423 5.295 2.647) 6.088 11.998 ( 6.259 0.202 -4.936) 7.974 12.149 ( -9.680 5.661 2.876) 11.577 12.400 ( 7.396 -1.870 -0.640) 7.656 13.281 ( -5.295 -0.862 1.909) 5.694 13.382 ( 0.459 1.657 -1.650) 2.383 14.399 ( 1.800 -0.734 -0.549) 2.020 15.142 ( 0.451 -0.583 -6.683) 6.723 15.962 ( -0.629 -8.040 4.856) 9.414 16.835 ( 1.968 0.754 3.283) 3.901 17.531 ( -2.129 -3.155 -7.034) 7.998 18.123 ( -0.819 5.838 -18.369) 19.292 18.958 ( 4.863 -10.566 2.937) 11.997 19.233 ( -5.489 10.615 13.604) 18.107 20.349 ( -0.163 2.015 -2.358) 3.106 20.611 ( 0.074 -2.670 4.977) 5.648 21.102 ( 1.464 3.124 0.505) 3.487 ======================= Grid point 242 (136/294) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.022 ( 7.685 -10.766 -2.251) 13.417 4.766 ( 4.633 -17.861 -6.315) 19.502 5.363 ( -6.687 -1.510 -6.455) 9.416 6.049 ( -7.513 -19.682 -5.768) 21.843 6.537 ( -10.414 16.405 1.123) 19.464 7.458 ( 0.368 23.241 -6.155) 24.045 7.725 ( 5.391 6.564 8.003) 11.670 8.206 ( -16.801 7.749 14.183) 23.313 8.612 ( 19.009 -7.927 9.744) 22.784 9.076 ( 8.559 -11.253 -3.124) 14.480 9.419 ( -4.437 -2.661 -5.435) 7.503 9.996 ( 5.159 1.242 -1.841) 5.616 10.765 ( 3.583 -4.161 -4.166) 6.893 11.725 ( 0.262 11.319 3.761) 11.930 11.990 ( -6.742 -0.153 -4.424) 8.066 12.043 ( -4.952 0.470 3.817) 6.270 12.575 ( 14.081 -3.447 2.267) 14.672 13.183 ( -8.291 3.331 -5.666) 10.580 13.368 ( -0.231 0.510 4.766) 4.799 14.459 ( 3.979 1.312 -0.929) 4.292 15.023 ( -3.851 -7.813 -6.002) 10.578 15.936 ( 2.648 -5.120 2.208) 6.173 16.775 ( -5.836 -10.885 1.316) 12.421 17.432 ( -2.948 3.129 -9.470) 10.400 18.030 ( -2.663 4.819 -17.366) 18.218 18.918 ( -2.042 -9.276 6.135) 11.307 19.369 ( 2.735 7.436 11.596) 14.045 20.389 ( 2.834 3.003 -1.849) 4.524 20.622 ( 1.048 -2.648 4.421) 5.258 21.187 ( 0.772 7.556 2.834) 8.107 ======================= Grid point 243 (137/294) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.020 ( 12.441 -19.541 -7.072) 24.220 4.594 ( 5.107 -27.788 -5.497) 28.783 5.190 ( -9.418 0.535 -3.006) 9.901 5.730 ( -4.713 -10.363 -5.402) 12.601 6.546 ( -11.753 20.829 0.751) 23.928 7.528 ( -13.322 21.311 -3.795) 25.418 7.916 ( 5.676 -6.002 6.934) 10.785 8.278 ( 4.392 20.424 11.311) 23.756 8.812 ( 4.186 -3.507 3.755) 6.628 9.089 ( 4.550 -8.749 4.565) 10.866 9.366 ( 7.315 -5.365 -5.729) 10.729 10.113 ( 10.426 1.198 -6.630) 12.414 10.800 ( 7.551 -3.171 -4.427) 9.310 11.791 ( -10.383 12.016 1.987) 16.005 11.818 ( -8.818 -2.821 -0.780) 9.291 11.948 ( -6.025 -4.123 2.389) 7.681 12.779 ( 10.109 -2.609 0.845) 10.474 13.062 ( -5.937 4.944 1.406) 7.853 13.475 ( 7.619 2.811 1.851) 8.330 14.490 ( -0.333 -0.262 -3.217) 3.245 14.858 ( -1.642 -8.589 -1.836) 8.935 15.967 ( 4.788 -3.918 0.633) 6.219 16.484 ( -9.895 -14.686 -5.586) 18.568 17.355 ( -5.518 3.981 -6.464) 9.385 17.939 ( -1.594 2.479 -12.212) 12.562 18.798 ( -5.988 -7.605 5.744) 11.255 19.601 ( 8.375 6.451 10.501) 14.901 20.454 ( 2.453 2.312 -1.821) 3.831 20.654 ( 2.978 -2.129 2.861) 4.646 21.286 ( -1.965 9.715 3.607) 10.547 ======================= Grid point 244 (138/294) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.989 ( 16.253 -24.436 -8.853) 30.654 4.354 ( 6.122 -31.535 -5.339) 32.565 5.028 ( -11.263 3.090 0.963) 11.719 5.678 ( 6.204 0.223 -2.648) 6.749 6.528 ( -15.630 22.181 -0.437) 27.138 7.405 ( -19.549 9.971 10.177) 24.190 8.037 ( 10.807 6.115 -10.069) 15.986 8.624 ( 8.015 4.735 3.959) 10.116 8.774 ( -1.093 -2.881 -1.118) 3.278 9.133 ( 2.522 -0.896 5.703) 6.300 9.484 ( 12.433 -3.523 4.735) 13.763 10.265 ( 11.150 1.619 -10.524) 15.417 10.889 ( 8.618 -1.465 -4.210) 9.703 11.553 ( -20.078 -0.180 1.201) 20.115 11.683 ( -4.554 -4.731 0.515) 6.587 11.874 ( -7.732 6.835 4.092) 11.102 12.806 ( -2.103 -4.318 0.049) 4.803 13.122 ( 2.688 2.876 5.386) 6.671 13.651 ( 7.599 5.714 -3.579) 10.159 14.462 ( 2.565 -3.114 1.692) 4.375 14.761 ( -2.113 -5.746 -3.093) 6.859 15.993 ( -0.234 -3.272 -0.736) 3.362 16.200 ( 0.695 -12.674 -6.187) 14.121 17.239 ( -8.113 2.924 -3.877) 9.455 17.868 ( -1.547 -0.718 -6.197) 6.427 18.661 ( -6.074 -5.319 4.119) 9.064 19.889 ( 10.609 7.177 9.306) 15.832 20.487 ( 0.981 0.933 -1.241) 1.837 20.708 ( 4.333 -1.913 -0.484) 4.762 21.332 ( -6.275 9.187 3.088) 11.546 ======================= Grid point 245 (139/294) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.019 ( 18.025 -22.060 -3.264) 28.674 4.173 ( 12.214 -26.125 -8.642) 30.106 4.889 ( -12.349 5.796 5.040) 14.543 5.841 ( 9.992 3.517 -1.208) 10.662 6.468 ( -13.834 19.231 0.817) 23.704 7.231 ( -18.266 6.230 11.332) 22.380 8.229 ( 12.413 5.112 -14.248) 19.576 8.603 ( -2.263 -3.745 -1.151) 4.524 8.746 ( -0.425 -7.967 -5.801) 9.865 9.224 ( 4.116 0.409 5.525) 6.901 9.778 ( 14.059 6.437 8.478) 17.634 10.378 ( 9.469 1.147 -12.611) 15.812 11.000 ( 6.391 0.778 -2.370) 6.861 11.223 ( -18.198 -1.297 3.246) 18.531 11.593 ( -2.149 -3.764 1.593) 4.618 11.848 ( -6.954 7.359 5.709) 11.624 12.667 ( -6.922 -7.959 1.261) 10.623 13.190 ( 0.431 0.459 2.253) 2.339 13.785 ( 3.732 8.797 -5.583) 11.067 14.517 ( 2.599 -10.101 3.213) 10.914 14.645 ( -0.105 0.462 -3.936) 3.964 15.909 ( -2.175 0.668 -2.696) 3.528 16.207 ( 11.180 -11.393 0.972) 15.992 17.111 ( -7.701 1.985 -1.349) 8.066 17.792 ( -2.140 -2.981 -2.835) 4.637 18.551 ( -5.393 -1.784 3.607) 6.729 20.195 ( 10.809 7.840 6.721) 14.949 20.503 ( 0.970 0.478 -0.018) 1.081 20.733 ( 2.934 -3.315 -4.920) 6.618 21.289 ( -9.781 6.904 2.265) 12.185 ======================= Grid point 248 (140/294) ======================= q-point: ( 0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.932 ( 24.690 -7.637 -1.874) 25.911 4.339 ( 15.900 1.139 4.946) 16.691 5.010 ( -7.912 6.712 7.089) 12.566 5.964 ( 2.776 -10.647 0.012) 11.003 6.628 ( -14.715 -6.349 -3.044) 16.313 6.809 ( -15.330 6.512 8.374) 18.643 8.284 ( 18.680 5.736 -3.923) 19.931 8.625 ( 10.875 1.820 5.189) 12.186 8.902 ( -1.334 -1.407 3.686) 4.165 9.155 ( -0.970 -6.428 -8.021) 10.325 9.597 ( -12.208 -4.125 -18.681) 22.694 10.264 ( 3.957 -3.499 -12.144) 13.243 10.745 ( 8.670 -1.213 -2.585) 9.128 11.534 ( 1.328 4.737 10.182) 11.308 11.711 ( -17.590 11.728 3.229) 21.387 11.974 ( -3.254 -13.522 12.824) 18.918 12.426 ( 6.023 9.332 1.101) 11.161 13.171 ( -3.057 3.142 -2.600) 5.097 13.774 ( 1.363 -5.426 -5.619) 7.929 14.425 ( 3.104 3.598 -2.440) 5.342 14.769 ( 0.203 3.809 1.319) 4.036 16.173 ( 7.339 -4.344 5.538) 10.169 16.181 ( 8.633 -11.576 7.377) 16.216 17.023 ( 0.006 0.702 4.121) 4.180 17.582 ( -2.225 3.697 -2.943) 5.223 18.790 ( -3.218 7.231 9.649) 12.479 20.112 ( -8.556 -5.807 -13.811) 17.253 20.515 ( 1.389 2.605 -2.788) 4.061 20.825 ( 7.931 -3.327 -2.172) 8.870 21.175 ( -9.976 4.544 3.923) 11.643 ======================= Grid point 249 (141/294) ======================= q-point: ( 0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.295 ( 21.663 1.856 -0.466) 21.747 4.604 ( 6.978 6.652 7.526) 12.231 4.985 ( -8.077 6.289 7.780) 12.858 5.936 ( 12.753 -21.461 0.644) 24.972 6.289 ( -16.755 0.046 -1.036) 16.787 6.738 ( -4.788 2.701 3.231) 6.376 8.478 ( -6.319 8.287 -9.923) 14.390 8.603 ( -4.776 -13.492 -9.937) 17.424 8.785 ( 3.594 -6.546 6.622) 9.981 9.190 ( -15.953 2.760 -11.966) 20.132 9.457 ( 18.412 2.606 12.706) 22.522 10.355 ( 20.838 -0.065 -13.744) 24.962 10.875 ( 7.138 1.652 -1.878) 7.564 11.488 ( -21.159 8.609 4.365) 23.257 11.641 ( 0.300 3.981 2.540) 4.732 11.826 ( -4.523 -15.897 10.922) 19.811 12.644 ( 4.494 10.066 1.623) 11.142 13.098 ( -6.009 1.837 -4.412) 7.678 13.750 ( 4.916 -3.215 -4.149) 7.192 14.441 ( -0.781 0.081 -2.434) 2.558 14.856 ( 2.644 3.964 3.365) 5.834 16.205 ( 3.435 -13.704 15.403) 20.901 16.307 ( 6.072 2.734 -3.577) 7.559 17.057 ( 1.946 -1.934 4.764) 5.498 17.632 ( 3.853 7.267 -2.228) 8.522 18.855 ( -1.444 2.376 8.195) 8.654 19.842 ( -9.595 -1.458 -11.660) 15.170 20.544 ( 0.831 2.531 -1.839) 3.237 20.859 ( 3.423 -4.973 -5.766) 8.348 21.088 ( -6.956 2.523 3.923) 8.375 ======================= Grid point 250 (142/294) ======================= q-point: ( 0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.620 ( 5.943 9.577 0.839) 11.302 4.806 ( 4.552 4.538 7.659) 9.999 4.970 ( -2.239 5.272 6.590) 8.732 5.956 ( 12.632 -19.482 -4.470) 23.646 6.140 ( -1.306 1.670 6.872) 7.192 6.734 ( 2.099 0.308 -1.602) 2.658 8.022 ( -15.818 -14.923 -15.812) 26.887 8.537 ( -10.096 1.947 -6.833) 12.345 8.812 ( 2.761 -4.352 7.803) 9.351 8.949 ( -4.564 2.140 -6.045) 7.871 9.761 ( 0.837 6.821 12.812) 14.539 10.788 ( 24.934 5.120 -13.665) 28.890 10.987 ( 8.434 0.777 6.144) 10.463 11.248 ( -14.261 7.794 -0.889) 16.276 11.644 ( -3.141 -10.924 7.253) 13.483 11.698 ( -0.248 -3.215 1.440) 3.531 12.742 ( -1.052 6.059 -2.495) 6.637 12.967 ( -6.635 -0.320 -3.972) 7.740 13.789 ( 3.083 -5.402 0.298) 6.227 14.444 ( 1.446 5.573 -0.971) 5.839 14.918 ( -0.445 0.449 1.770) 1.880 16.194 ( 0.502 -11.578 8.791) 14.546 16.416 ( 2.947 8.414 0.178) 8.916 17.132 ( 9.091 -6.148 2.541) 11.265 17.799 ( 6.753 9.440 -2.079) 11.791 18.876 ( 0.576 -5.457 5.927) 8.077 19.638 ( -10.764 6.288 -6.047) 13.855 20.567 ( 0.088 2.525 -1.712) 3.052 20.781 ( -4.076 -3.234 -2.567) 5.802 21.039 ( -0.803 -2.116 -0.279) 2.280 ======================= Grid point 251 (143/294) ======================= q-point: ( 0.42 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.585 ( -14.936 2.573 3.296) 15.510 4.896 ( -0.611 3.325 0.652) 3.443 5.183 ( 13.602 2.899 3.687) 14.388 5.979 ( 10.949 -8.110 -5.766) 14.795 6.312 ( 7.208 7.504 11.691) 15.651 6.797 ( 12.425 -6.801 -7.298) 15.934 7.598 ( -9.473 -10.347 -7.890) 16.095 8.271 ( -17.252 5.012 -5.763) 18.867 8.817 ( -1.789 -3.312 4.256) 5.682 8.987 ( 5.782 -1.683 1.443) 6.192 9.832 ( -5.044 3.222 9.711) 11.407 10.700 ( -18.014 2.553 -1.555) 18.260 11.077 ( -6.957 0.198 -3.841) 7.949 11.508 ( 20.472 2.050 -1.545) 20.632 11.544 ( 4.108 -10.935 5.480) 12.903 11.732 ( 7.302 6.882 -2.764) 10.408 12.742 ( -3.277 4.523 -4.263) 7.027 12.862 ( -0.093 -1.244 -1.256) 1.770 13.702 ( -5.453 -9.105 4.025) 11.351 14.560 ( 0.810 7.895 -1.629) 8.102 14.906 ( 1.118 0.460 -0.593) 1.347 16.114 ( -1.715 -10.470 5.222) 11.824 16.575 ( 3.815 10.920 0.656) 11.586 17.253 ( 12.917 -10.243 -0.030) 16.486 17.982 ( 5.721 10.162 -5.747) 13.001 18.845 ( 2.413 -11.301 3.624) 12.111 19.535 ( -11.228 12.980 2.164) 17.298 20.555 ( -2.835 1.925 -5.260) 6.278 20.673 ( -4.519 -2.668 4.842) 7.140 21.012 ( 1.694 -2.885 -2.765) 4.340 ======================= Grid point 252 (144/294) ======================= q-point: (-0.50 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.327 ( -15.797 -2.382 1.404) 16.037 4.850 ( -0.663 -7.362 -5.405) 9.157 5.410 ( 8.477 1.327 -1.121) 8.653 6.064 ( 10.160 -6.039 -4.871) 12.783 6.569 ( 1.345 12.903 4.970) 13.893 6.979 ( 21.612 -3.531 -2.585) 22.051 7.469 ( 3.051 -0.962 3.083) 4.443 8.037 ( -14.625 7.992 -3.048) 16.943 8.752 ( -5.306 -6.811 8.707) 12.262 9.027 ( 2.850 -5.352 -3.437) 6.970 9.788 ( -7.293 -0.370 7.011) 10.123 10.405 ( -18.195 1.925 0.861) 18.316 10.900 ( -7.637 -0.305 -5.963) 9.694 11.522 ( 3.537 -8.408 3.441) 9.749 11.688 ( 8.085 0.699 -3.440) 8.814 12.046 ( 11.355 9.461 -2.719) 15.028 12.647 ( -10.206 4.648 0.355) 11.220 12.994 ( 15.665 -0.364 -2.204) 15.824 13.529 ( -7.657 -8.077 6.016) 12.651 14.519 ( -7.434 2.707 -2.932) 8.437 15.000 ( 6.836 2.743 -4.289) 8.524 16.010 ( -1.752 -10.551 4.141) 11.469 16.741 ( 3.193 9.278 0.630) 9.832 17.340 ( 11.867 -13.329 -3.768) 18.239 18.095 ( 2.499 9.171 -11.933) 15.256 18.806 ( 3.537 -10.121 3.333) 11.227 19.529 ( -10.040 14.100 9.771) 19.877 20.454 ( -5.156 0.233 -4.410) 6.789 20.640 ( -1.906 -2.120 6.096) 6.730 21.020 ( 2.864 0.329 -1.732) 3.363 ======================= Grid point 253 (145/294) ======================= q-point: (-0.42 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.060 ( -10.032 -7.094 -1.491) 12.377 4.681 ( 0.479 -16.782 -9.683) 19.382 5.464 ( 0.781 0.052 -6.707) 6.752 6.108 ( 4.356 -7.058 -3.541) 9.018 6.690 ( 3.517 4.389 1.460) 5.811 7.327 ( 5.698 17.313 4.189) 18.702 7.719 ( 22.950 -3.303 9.667) 25.121 7.886 ( -10.521 8.749 -2.765) 13.960 8.622 ( -6.338 -7.172 9.579) 13.541 8.948 ( -0.591 -6.510 -7.398) 9.872 9.700 ( -7.027 1.711 2.812) 7.759 10.150 ( -14.878 1.120 3.249) 15.270 10.776 ( -3.733 0.488 -6.391) 7.417 11.575 ( 6.283 -0.788 5.032) 8.088 11.809 ( 9.268 -2.724 -3.370) 10.231 12.218 ( 4.299 5.678 -2.687) 7.612 12.508 ( -12.431 3.899 2.294) 13.229 13.232 ( 11.142 -1.770 -3.423) 11.790 13.399 ( -3.830 -3.359 6.495) 8.255 14.421 ( -4.260 3.639 -2.400) 6.095 15.050 ( 2.645 -2.719 -8.059) 8.907 15.910 ( -0.752 -9.304 2.778) 9.739 16.845 ( 0.582 1.337 2.884) 3.232 17.345 ( 8.465 -10.855 -10.194) 17.129 18.098 ( -0.709 6.346 -15.894) 17.129 18.823 ( 4.317 -5.309 4.988) 8.467 19.563 ( -9.698 11.226 13.765) 20.237 20.371 ( -2.383 0.977 -2.573) 3.641 20.625 ( -1.088 -2.669 5.058) 5.821 21.099 ( 3.771 4.796 1.013) 6.184 ======================= Grid point 254 (146/294) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.833 ( -2.611 -14.150 -5.817) 15.521 4.444 ( 2.827 -24.077 -11.205) 26.707 5.393 ( -3.290 0.188 -7.429) 8.127 5.993 ( -5.668 -11.808 -1.701) 13.208 6.801 ( -0.598 10.228 2.895) 10.647 7.553 ( 6.369 3.596 6.355) 9.689 7.752 ( -5.196 7.241 -6.150) 10.828 8.246 ( 23.755 5.621 8.742) 25.929 8.598 ( -4.081 6.768 10.516) 13.155 8.819 ( -0.341 -7.554 -6.221) 9.792 9.600 ( -11.004 7.214 -0.372) 13.163 9.997 ( -5.107 -0.835 1.818) 5.485 10.688 ( -1.457 -2.044 -4.418) 5.081 11.772 ( 7.968 6.926 6.146) 12.216 11.883 ( 6.973 -6.111 -5.546) 10.804 12.275 ( -8.790 1.341 4.700) 10.058 12.383 ( 2.371 1.233 -1.913) 3.286 13.227 ( -1.094 -3.945 -3.088) 5.128 13.427 ( -0.237 1.231 4.783) 4.945 14.438 ( 1.170 6.169 -1.675) 6.499 14.942 ( -1.870 -9.291 -7.617) 12.159 15.851 ( 1.611 -6.200 0.339) 6.415 16.772 ( -5.391 -11.648 1.015) 12.875 17.332 ( 6.438 -1.847 -13.194) 14.797 18.019 ( -2.619 3.834 -15.688) 16.361 18.885 ( 2.263 -2.982 7.139) 8.061 19.585 ( -8.089 8.114 14.133) 18.193 20.369 ( 1.383 2.457 -1.646) 3.265 20.616 ( -0.151 -2.803 4.338) 5.167 21.243 ( 3.839 8.347 3.062) 9.684 ======================= Grid point 255 (147/294) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.615 ( 4.139 -22.847 -11.068) 25.722 4.174 ( 4.557 -32.043 -9.140) 33.632 5.290 ( -5.065 1.318 -5.056) 7.277 5.734 ( -7.660 -11.160 0.233) 13.538 6.905 ( -5.579 18.353 1.802) 19.266 7.641 ( 13.105 -22.344 4.946) 26.371 7.828 ( -3.019 26.167 -11.661) 28.806 8.602 ( -12.445 9.538 9.813) 18.497 8.670 ( 15.346 0.909 10.314) 18.512 8.815 ( 7.315 -1.252 -4.423) 8.640 9.511 ( -10.326 13.124 1.850) 16.802 9.981 ( 4.497 -0.299 -1.709) 4.820 10.655 ( 3.081 -2.115 -3.951) 5.439 11.837 ( -0.526 -7.030 -4.983) 8.632 11.983 ( 2.350 4.126 5.989) 7.643 12.074 ( -12.156 -0.170 1.119) 12.208 12.544 ( 12.684 -0.479 0.025) 12.693 13.149 ( -2.052 -2.121 -2.353) 3.775 13.468 ( 0.524 2.928 5.632) 6.369 14.482 ( -0.889 0.771 -3.857) 4.033 14.790 ( -0.959 -6.275 -1.524) 6.528 15.843 ( 3.992 -4.636 -1.939) 6.418 16.481 ( -10.217 -15.281 -5.721) 19.252 17.344 ( 3.122 0.266 -10.147) 10.620 17.917 ( -2.308 2.446 -12.903) 13.334 18.888 ( -4.700 -3.133 9.359) 10.931 19.664 ( -0.112 7.277 12.345) 14.331 20.424 ( 2.643 2.664 -1.542) 4.057 20.618 ( 0.886 -2.773 3.371) 4.454 21.406 ( 1.852 10.067 3.505) 10.820 ======================= Grid point 256 (148/294) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.423 ( 12.380 -27.957 -12.487) 33.027 3.876 ( 6.550 -37.010 -6.316) 38.112 5.192 ( -5.935 2.391 -2.286) 6.795 5.612 ( 1.861 -4.084 1.638) 4.778 6.967 ( -10.647 21.108 -1.238) 23.674 7.651 ( 8.924 -23.657 5.146) 25.802 7.910 ( -6.791 23.150 -9.062) 25.771 8.593 ( 0.457 3.071 0.100) 3.106 8.779 ( -3.802 -1.756 -1.106) 4.331 8.980 ( 10.597 1.738 4.774) 11.752 9.555 ( -3.845 16.510 5.234) 17.742 10.122 ( 8.597 4.733 -0.244) 9.817 10.700 ( 7.886 -1.828 -5.020) 9.526 11.697 ( -5.636 -10.400 -0.025) 11.829 11.770 ( -10.578 -6.315 -3.843) 12.905 12.107 ( -5.254 10.128 4.956) 12.440 12.715 ( 7.635 -2.892 -1.586) 8.317 13.114 ( 0.994 -4.026 4.281) 5.960 13.588 ( 5.627 7.215 -0.533) 9.165 14.406 ( 0.047 -6.633 1.199) 6.741 14.754 ( -2.463 0.260 -0.739) 2.584 15.865 ( 6.496 -6.439 -2.235) 9.415 16.133 ( -9.277 -9.956 -8.548) 16.070 17.297 ( -1.717 -1.494 -7.215) 7.566 17.842 ( -1.011 1.354 -9.120) 9.275 18.801 ( -8.726 -2.160 10.670) 13.952 19.867 ( 6.961 7.559 9.961) 14.311 20.471 ( 1.390 1.449 -1.315) 2.400 20.634 ( 2.241 -2.465 1.159) 3.527 21.517 ( -2.665 9.383 2.512) 10.073 ======================= Grid point 257 (149/294) ======================= q-point: (-0.08 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( 23.192 -24.515 -8.286) 34.749 3.643 ( 11.795 -34.022 -5.057) 36.362 5.116 ( -6.431 4.393 0.828) 7.832 5.709 ( 9.658 -0.708 2.529) 10.009 6.934 ( -15.799 21.447 -3.837) 26.913 7.542 ( -2.346 -16.201 10.191) 19.283 7.946 ( -0.333 3.884 -8.565) 9.410 8.590 ( -3.471 -0.927 -4.292) 5.597 8.710 ( 0.163 5.646 -5.978) 8.225 9.155 ( 6.381 1.359 2.901) 7.140 9.744 ( 4.993 13.559 -0.141) 14.450 10.288 ( 3.326 5.899 2.627) 7.264 10.827 ( 11.607 -1.003 -3.953) 12.302 11.372 ( -11.192 -14.598 -5.089) 19.086 11.673 ( -2.882 2.535 4.659) 6.037 12.103 ( -8.870 7.971 5.571) 13.162 12.686 ( -3.499 -7.814 0.148) 8.563 13.138 ( 4.127 -5.656 2.807) 7.544 13.763 ( 6.219 11.434 -6.968) 14.764 14.398 ( 2.393 -9.594 6.045) 11.589 14.677 ( -4.012 1.851 -1.599) 4.699 15.902 ( 8.109 -11.908 -3.405) 14.804 15.941 ( -1.377 1.046 -2.637) 3.154 17.185 ( -3.985 -3.117 -4.701) 6.906 17.787 ( -1.640 0.510 -5.589) 5.847 18.713 ( -8.265 1.092 10.889) 13.714 20.137 ( 9.517 7.706 6.657) 13.938 20.490 ( 0.904 0.497 -0.205) 1.052 20.643 ( 1.619 -2.926 -2.374) 4.101 21.517 ( -7.849 6.742 1.043) 10.400 ======================= Grid point 260 (150/294) ======================= q-point: ( 0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.341 ( 31.485 -11.936 0.520) 33.676 3.950 ( 31.332 -4.728 3.028) 31.831 5.166 ( -3.920 1.530 2.106) 4.706 5.840 ( 3.820 -10.190 -4.092) 11.626 6.866 ( -19.633 0.582 2.999) 19.869 7.308 ( -20.943 7.009 10.833) 24.599 7.774 ( 32.310 1.696 0.306) 32.356 8.561 ( 2.866 3.402 4.472) 6.308 8.900 ( 0.458 -1.548 1.188) 2.004 9.147 ( -11.883 -7.959 -15.092) 20.792 9.746 ( -13.423 5.835 -12.116) 19.001 10.146 ( 2.222 1.304 -10.911) 11.211 10.594 ( 5.776 -1.490 -0.414) 5.980 11.566 ( 7.024 3.964 8.675) 11.845 11.936 ( -1.243 -16.510 9.970) 19.327 12.072 ( -11.436 6.986 1.222) 13.457 12.453 ( 2.596 9.468 3.488) 10.419 13.184 ( 3.868 1.825 -2.143) 4.784 13.678 ( -0.384 -6.331 -3.683) 7.335 14.418 ( 1.140 6.114 -3.652) 7.212 14.806 ( -1.736 1.689 -0.764) 2.540 15.874 ( 14.877 -5.531 -1.220) 15.919 16.067 ( 4.110 -10.758 11.072) 15.975 17.063 ( 1.300 2.565 4.654) 5.471 17.670 ( -4.348 2.228 0.592) 4.921 18.968 ( -4.921 4.789 5.830) 9.008 20.118 ( -7.245 -3.442 -12.514) 14.864 20.492 ( 1.917 2.673 -3.738) 4.979 20.683 ( 4.703 -2.832 -0.047) 5.490 21.408 ( -9.403 4.596 3.697) 11.100 ======================= Grid point 261 (151/294) ======================= q-point: ( 0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.808 ( 31.293 -3.975 2.277) 31.627 4.419 ( 25.927 -2.101 3.284) 26.219 5.125 ( -3.072 0.101 1.372) 3.366 5.707 ( -3.034 -9.312 -2.822) 10.192 6.538 ( -18.865 -1.925 0.573) 18.972 7.121 ( -20.555 12.745 11.739) 26.884 8.321 ( 22.000 -3.862 -5.424) 22.985 8.642 ( -15.121 -7.431 -12.222) 20.814 8.684 ( 5.562 -4.415 7.583) 10.389 9.143 ( 22.231 5.097 9.150) 24.575 9.443 ( -17.264 4.414 -14.097) 22.721 10.140 ( 1.001 3.745 -8.508) 9.350 10.746 ( 9.145 4.464 -2.016) 10.374 11.681 ( 0.247 0.487 4.739) 4.770 11.790 ( -2.771 -17.108 8.535) 19.318 11.905 ( -16.581 5.350 0.739) 17.439 12.663 ( 6.156 9.293 4.063) 11.865 13.198 ( -3.940 3.306 -3.171) 6.042 13.618 ( 2.943 -4.397 -3.213) 6.190 14.444 ( -0.580 3.504 -3.248) 4.813 14.826 ( 3.812 -1.387 0.434) 4.080 16.085 ( 7.155 -12.208 12.865) 19.124 16.095 ( 12.260 -0.382 -4.810) 13.176 17.116 ( -2.278 0.819 6.405) 6.847 17.660 ( -0.273 4.453 1.470) 4.698 18.930 ( -3.882 -1.998 1.428) 4.594 19.925 ( -6.889 2.879 -8.866) 11.591 20.529 ( 2.068 2.485 -3.630) 4.861 20.717 ( 4.039 -3.840 -1.658) 5.815 21.301 ( -10.648 3.067 3.367) 11.581 ======================= Grid point 262 (152/294) ======================= q-point: ( 0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.307 ( 26.955 0.465 3.254) 27.154 4.797 ( 16.782 -0.562 3.577) 17.169 5.068 ( -2.480 -2.751 -1.149) 3.878 5.607 ( 2.126 -6.675 0.942) 7.069 6.244 ( -11.167 -2.032 -2.412) 11.604 6.987 ( -17.529 11.443 8.534) 22.606 8.039 ( -13.509 -16.124 -12.948) 24.701 8.617 ( -0.104 1.364 2.247) 2.631 8.768 ( 4.908 -0.920 6.868) 8.492 9.120 ( -16.032 6.796 -14.925) 22.934 9.809 ( 22.777 10.423 18.477) 31.126 10.207 ( 19.117 1.008 -13.478) 23.412 10.915 ( 6.659 3.524 -0.579) 7.556 11.559 ( -13.158 -6.429 -4.067) 15.199 11.674 ( -3.750 -5.513 6.096) 9.034 11.711 ( -7.113 -0.917 4.576) 8.507 12.797 ( -0.048 2.913 1.012) 3.085 13.090 ( -8.739 2.262 -2.984) 9.507 13.665 ( 6.167 -1.870 -0.940) 6.513 14.461 ( 0.907 4.878 -1.528) 5.192 14.882 ( 4.315 -4.027 0.900) 5.970 16.090 ( 3.361 -11.247 6.136) 13.245 16.339 ( 12.722 4.832 -2.093) 13.768 17.075 ( -4.071 -2.693 4.010) 6.317 17.772 ( 5.422 5.708 2.339) 8.213 18.828 ( -1.714 -8.471 -1.094) 8.711 19.839 ( -6.715 9.671 -3.104) 12.176 20.560 ( 1.613 1.763 -4.043) 4.696 20.731 ( 2.392 -2.677 -0.669) 3.652 21.154 ( -10.330 0.355 1.983) 10.525 ======================= Grid point 263 (153/294) ======================= q-point: ( 0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.662 ( 7.726 -3.123 2.982) 8.851 4.935 ( 2.710 -1.815 -3.647) 4.892 5.046 ( 4.602 -2.221 1.589) 5.351 5.639 ( 8.901 -6.653 0.004) 11.113 6.210 ( 9.937 3.483 -1.228) 10.601 6.830 ( -13.422 3.791 0.083) 13.947 7.690 ( -10.944 -1.706 -0.424) 11.084 8.547 ( -10.275 -1.534 6.809) 12.421 8.883 ( -2.769 9.382 -6.441) 11.713 8.905 ( -1.175 -1.443 -2.151) 2.844 10.011 ( -5.411 4.344 8.138) 10.695 10.709 ( 23.235 2.400 -10.544) 25.628 11.032 ( 7.886 -5.381 5.747) 11.143 11.273 ( -4.907 -0.847 -6.735) 8.376 11.541 ( -7.037 -6.711 8.617) 12.993 11.705 ( 2.230 4.159 -1.835) 5.063 12.770 ( -2.064 -0.685 -1.391) 2.582 12.955 ( -7.903 1.466 0.363) 8.046 13.692 ( -0.466 -4.396 0.542) 4.454 14.577 ( 5.003 8.214 -0.734) 9.645 14.881 ( 0.653 -4.566 -0.183) 4.616 16.045 ( 0.563 -10.193 2.575) 10.528 16.577 ( 9.004 8.640 -1.760) 12.602 17.015 ( 1.961 -7.786 -0.003) 8.029 17.939 ( 6.369 5.601 -1.299) 8.581 18.722 ( 0.961 -10.719 0.995) 10.808 19.832 ( -7.201 13.195 1.796) 15.139 20.558 ( -0.016 0.586 -5.631) 5.661 20.738 ( -1.164 -0.810 4.272) 4.502 21.011 ( -5.644 -1.079 -0.301) 5.754 ======================= Grid point 264 (154/294) ======================= q-point: (-0.50 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.525 ( -10.623 -10.107 -1.817) 14.775 4.767 ( -8.407 -11.908 -6.258) 15.864 5.248 ( 12.698 2.956 -2.073) 13.201 5.788 ( 13.688 -2.748 -2.512) 14.185 6.545 ( 18.130 -1.210 -2.468) 18.337 6.676 ( -0.007 5.854 2.213) 6.258 7.641 ( -6.378 13.316 10.022) 17.845 8.366 ( -15.737 3.598 5.121) 16.935 8.827 ( -2.613 4.846 -5.251) 7.609 8.902 ( -0.306 -9.280 -0.201) 9.287 9.959 ( -7.869 1.232 4.970) 9.388 10.645 ( -10.383 -2.706 -5.944) 12.266 10.974 ( -5.272 -1.374 -6.568) 8.534 11.445 ( -1.923 -5.881 5.543) 8.307 11.483 ( 15.728 -3.437 0.081) 16.100 11.912 ( 13.592 11.707 -1.841) 18.033 12.773 ( 6.308 -2.044 0.135) 6.632 12.855 ( -7.908 2.099 3.953) 9.086 13.588 ( -5.548 -5.794 1.538) 8.168 14.658 ( -4.708 4.920 -2.551) 7.272 14.882 ( 5.315 -0.861 -2.555) 5.960 15.951 ( -1.211 -9.845 1.480) 10.029 16.776 ( 4.542 9.535 -0.515) 10.574 16.984 ( 8.662 -13.964 -5.639) 17.373 18.047 ( 3.932 4.215 -8.770) 10.495 18.688 ( 3.606 -7.789 6.011) 10.479 19.864 ( -7.579 13.762 5.941) 16.797 20.500 ( -3.122 0.114 -5.209) 6.074 20.709 ( -4.296 -2.542 6.988) 8.588 20.982 ( 2.030 2.377 -0.732) 3.210 ======================= Grid point 265 (155/294) ======================= q-point: (-0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.173 ( -14.564 -12.824 -4.554) 19.932 4.442 ( -4.052 -20.803 -12.299) 24.504 5.393 ( 4.583 1.719 -6.324) 7.997 5.952 ( 8.040 -0.952 -2.400) 8.444 6.570 ( 7.052 -4.275 -1.441) 8.372 7.154 ( 24.678 7.881 10.479) 27.945 7.793 ( -3.584 19.123 10.577) 22.145 8.157 ( -14.925 1.865 2.830) 15.304 8.669 ( -8.231 -9.557 -2.464) 12.852 8.859 ( 2.935 0.502 -4.244) 5.184 9.870 ( -7.431 4.143 2.354) 8.828 10.423 ( -12.879 1.176 -1.372) 13.005 10.840 ( -6.162 1.194 -4.896) 7.960 11.441 ( 5.953 -6.720 3.923) 9.798 11.641 ( 8.463 -1.379 -0.727) 8.605 12.174 ( 6.629 7.568 -4.055) 10.847 12.736 ( -8.382 -3.136 4.038) 9.818 12.979 ( 13.429 1.956 2.713) 13.839 13.453 ( -4.579 -4.908 2.765) 7.260 14.568 ( -7.749 6.367 -2.822) 10.419 14.923 ( 3.155 -3.372 -6.506) 7.978 15.847 ( -0.939 -8.779 0.936) 8.879 16.844 ( 0.482 -8.788 1.693) 8.963 17.006 ( 11.164 -2.392 -11.833) 16.443 18.050 ( 1.194 1.942 -12.841) 13.042 18.757 ( 4.538 -1.937 8.104) 9.488 19.906 ( -8.362 11.993 9.556) 17.466 20.414 ( -3.711 0.487 -2.980) 4.784 20.654 ( -2.470 -3.475 4.723) 6.362 21.089 ( 4.573 5.938 2.133) 7.792 ======================= Grid point 266 (156/294) ======================= q-point: (-0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.757 ( -11.667 -18.121 -9.711) 23.639 4.089 ( -0.516 -27.079 -14.293) 30.624 5.389 ( -0.406 1.239 -7.686) 7.795 5.953 ( -2.059 -10.125 -0.711) 10.357 6.732 ( 12.552 -1.077 4.873) 13.508 7.453 ( 0.956 -12.205 6.913) 14.060 8.029 ( -3.679 22.515 5.446) 23.455 8.095 ( 9.581 16.426 -1.403) 19.068 8.533 ( 2.763 -3.716 -2.578) 5.300 8.898 ( -0.662 4.300 2.486) 5.011 9.821 ( -6.203 7.785 -0.777) 9.984 10.199 ( -15.613 2.045 2.060) 15.881 10.723 ( -5.952 -0.010 -2.388) 6.413 11.543 ( 13.010 -10.087 -2.320) 16.625 11.784 ( 7.202 4.566 3.799) 9.335 12.286 ( 3.646 4.817 -2.381) 6.493 12.538 ( -12.181 -6.264 2.727) 13.966 13.134 ( 3.493 -4.875 -0.628) 6.030 13.438 ( 3.002 0.315 4.811) 5.680 14.529 ( -4.158 9.178 -2.784) 10.454 14.838 ( -1.040 -7.273 -6.195) 9.610 15.773 ( 0.556 -5.984 -0.455) 6.027 16.691 ( -1.081 -18.295 -3.941) 18.746 17.110 ( 8.160 2.438 -10.367) 13.417 17.987 ( -0.803 0.620 -12.161) 12.203 18.878 ( 3.546 1.676 7.779) 8.712 19.915 ( -10.552 8.784 12.177) 18.352 20.372 ( -0.553 1.918 -1.851) 2.722 20.619 ( -0.796 -3.165 3.367) 4.689 21.262 ( 5.525 7.971 3.727) 10.390 ======================= Grid point 267 (157/294) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.319 ( -6.154 -25.100 -15.460) 30.114 3.727 ( 2.133 -34.030 -12.333) 36.258 5.328 ( -2.358 -1.570 -6.110) 6.735 5.692 ( -5.714 -22.773 0.416) 23.482 6.970 ( 11.173 -2.218 8.285) 14.085 7.381 ( 0.907 1.209 -1.177) 1.915 8.103 ( -8.405 28.046 -11.536) 31.469 8.526 ( 8.806 5.494 4.838) 11.452 8.640 ( 13.234 2.928 2.790) 13.838 8.955 ( -4.259 9.172 9.257) 13.710 9.813 ( -3.017 11.785 -3.201) 12.579 9.990 ( -12.294 1.508 3.100) 12.768 10.622 ( -3.433 -1.312 -1.660) 4.033 11.599 ( 10.832 -13.149 -7.464) 18.600 12.020 ( 6.658 8.057 8.019) 13.174 12.226 ( -12.278 -11.536 0.864) 16.869 12.415 ( 5.286 5.157 -1.429) 7.521 13.084 ( 0.939 -7.159 -2.117) 7.525 13.522 ( 1.016 1.592 5.767) 6.069 14.480 ( -3.911 -3.482 -6.251) 8.154 14.784 ( 0.048 4.012 1.752) 4.378 15.735 ( 1.687 -4.459 -2.694) 5.476 16.427 ( -5.384 -16.244 -7.823) 18.816 17.188 ( 6.458 0.569 -9.875) 11.813 17.899 ( -1.862 -0.030 -9.565) 9.744 18.978 ( -0.087 1.765 8.229) 8.417 19.892 ( -8.920 6.856 12.786) 17.031 20.402 ( 1.952 2.767 -1.394) 3.662 20.603 ( 0.043 -2.945 2.671) 3.976 21.459 ( 5.126 8.923 3.518) 10.875 ======================= Grid point 268 (158/294) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 3.282 -30.826 -17.129) 35.418 3.358 ( 4.902 -40.462 -7.584) 41.458 5.172 ( 3.158 -20.944 -5.669) 21.926 5.500 ( 0.349 -7.009 0.601) 7.043 7.130 ( 5.353 -3.337 7.802) 10.033 7.463 ( -1.906 15.306 -4.745) 16.138 8.185 ( -4.161 24.997 -11.929) 28.008 8.607 ( 1.491 -0.839 2.216) 2.799 8.830 ( -1.090 1.036 4.431) 4.679 9.030 ( -3.521 10.370 5.045) 12.058 9.857 ( -10.411 9.475 4.135) 14.672 10.003 ( 12.521 9.326 0.610) 15.624 10.566 ( 1.023 -2.585 -4.068) 4.928 11.589 ( 7.240 -11.102 -5.174) 14.228 11.824 ( -14.221 -16.398 -0.700) 21.717 12.259 ( 2.203 8.791 3.774) 9.817 12.568 ( 7.138 3.139 -0.551) 7.817 13.035 ( 2.975 -8.054 -0.187) 8.587 13.587 ( 1.609 3.241 3.020) 4.713 14.346 ( -0.567 -7.624 0.757) 7.683 14.842 ( -3.372 5.726 2.130) 6.978 15.692 ( 2.651 -7.734 -4.748) 9.455 16.149 ( -7.135 -5.864 -8.525) 12.569 17.208 ( 3.141 -2.077 -8.657) 9.441 17.821 ( -1.164 -0.176 -6.643) 6.747 18.993 ( -6.005 0.630 10.348) 11.980 19.945 ( -0.834 7.133 11.117) 13.235 20.453 ( 1.783 2.083 -1.293) 3.031 20.594 ( 0.688 -2.714 1.644) 3.247 21.625 ( 1.807 8.414 1.777) 8.787 ======================= Grid point 269 (159/294) ======================= q-point: (-0.08 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 19.698 -29.112 -11.646) 37.029 3.060 ( 11.466 -40.028 -3.179) 41.759 5.067 ( 14.158 -22.280 -5.197) 26.905 5.501 ( 3.845 -2.846 0.650) 4.828 7.192 ( -0.155 0.249 4.160) 4.171 7.477 ( -10.123 14.151 -6.011) 18.408 8.229 ( -11.843 13.246 0.450) 17.774 8.656 ( -1.690 6.471 -1.555) 6.867 8.753 ( -3.717 3.426 -2.438) 5.612 9.116 ( 2.572 5.946 0.225) 6.482 9.832 ( -3.069 5.733 -0.536) 6.525 10.345 ( 6.915 12.554 8.224) 16.524 10.564 ( 9.788 -5.672 -7.625) 13.642 11.370 ( -12.524 -19.603 -1.350) 23.302 11.661 ( 7.578 -2.325 -1.729) 8.113 12.324 ( -5.188 6.769 3.605) 9.259 12.646 ( 0.489 -1.723 -2.169) 2.813 13.010 ( 3.774 -9.650 1.868) 10.529 13.705 ( 6.963 7.954 -5.268) 11.811 14.337 ( 1.379 -7.247 9.392) 11.943 14.780 ( -6.207 1.418 0.427) 6.381 15.642 ( 5.947 -10.759 -2.923) 12.636 16.005 ( -5.016 5.354 -6.103) 9.543 17.149 ( -0.727 -4.177 -6.444) 7.713 17.779 ( -0.141 0.045 -3.978) 3.980 18.945 ( -8.141 1.849 11.947) 14.575 20.123 ( 5.556 7.549 7.757) 12.167 20.481 ( 0.758 0.882 -0.590) 1.304 20.589 ( 0.778 -2.365 -0.628) 2.568 21.682 ( -3.995 5.927 -0.549) 7.169 ======================= Grid point 272 (160/294) ======================= q-point: ( 0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 34.205 -11.701 5.762) 36.607 3.279 ( 39.344 -11.596 1.493) 41.044 5.103 ( 23.977 -8.881 1.770) 25.630 5.525 ( 9.116 -3.998 -2.106) 10.175 7.235 ( -9.412 1.478 -3.048) 10.003 7.352 ( -7.541 4.498 6.556) 10.958 7.976 ( -22.336 12.980 10.370) 27.837 8.612 ( -1.444 4.098 2.227) 4.883 8.883 ( -1.824 -4.076 -1.604) 4.745 9.174 ( -9.356 -7.306 -10.561) 15.888 9.944 ( -10.565 -4.213 -4.812) 12.350 10.074 ( 6.669 17.036 -8.005) 19.970 10.523 ( 0.599 -2.804 0.774) 2.970 11.482 ( 13.690 6.613 6.048) 16.362 11.778 ( 3.662 -22.339 4.694) 23.119 12.291 ( -7.675 5.962 0.256) 9.722 12.537 ( -0.094 6.674 3.078) 7.350 13.049 ( 10.492 -0.265 -1.718) 10.635 13.634 ( -2.101 -3.555 -1.622) 4.436 14.410 ( 4.491 5.197 -6.409) 9.395 14.865 ( -5.617 -2.698 0.073) 6.231 15.617 ( 10.969 -3.260 3.876) 12.082 16.007 ( -1.660 -4.993 5.656) 7.725 17.079 ( 2.710 1.613 5.344) 6.205 17.744 ( -1.584 0.191 1.835) 2.432 19.098 ( -4.977 0.702 -0.579) 5.060 20.147 ( -6.766 -0.168 -10.847) 12.785 20.467 ( 0.925 1.910 -2.713) 3.445 20.604 ( 2.660 -1.654 0.608) 3.191 21.613 ( -7.126 4.091 3.158) 8.803 ======================= Grid point 273 (161/294) ======================= q-point: ( 0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( 34.610 -2.141 6.176) 35.222 3.815 ( 36.624 -11.158 0.798) 38.294 5.169 ( -3.110 -1.805 0.244) 3.605 5.662 ( 4.928 -0.800 -3.639) 6.178 6.915 ( -23.881 -0.535 4.218) 24.256 7.594 ( 7.845 6.658 9.293) 13.865 7.856 ( 0.141 3.593 -0.924) 3.713 8.615 ( -0.550 -3.955 0.046) 3.993 8.728 ( -7.122 -8.892 0.128) 11.393 9.032 ( 2.507 6.542 0.333) 7.014 9.674 ( -14.028 1.473 -8.016) 16.224 10.190 ( -2.839 10.900 -7.362) 13.456 10.642 ( 8.865 5.569 1.213) 10.539 11.659 ( 3.217 -18.874 5.676) 19.970 11.689 ( 2.402 0.334 3.615) 4.353 12.168 ( -11.528 1.974 -1.743) 11.825 12.665 ( 5.329 5.841 3.595) 8.685 13.185 ( 6.096 0.399 -3.344) 6.964 13.579 ( -2.417 0.635 0.931) 2.667 14.468 ( 2.026 4.025 -5.750) 7.305 14.750 ( -1.678 -5.512 -0.333) 5.771 15.842 ( 14.468 1.070 1.884) 14.629 15.978 ( 1.493 -8.161 6.291) 10.412 17.167 ( 1.540 -0.336 6.778) 6.959 17.729 ( -2.235 1.275 3.206) 4.111 18.961 ( -5.664 -5.434 -5.966) 9.859 20.022 ( -4.897 6.603 -7.383) 11.049 20.489 ( 1.747 1.426 -3.194) 3.910 20.636 ( 2.708 -1.626 0.915) 3.289 21.519 ( -9.809 2.028 2.432) 10.307 ======================= Grid point 274 (162/294) ======================= q-point: ( 0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.850 ( 31.911 3.126 5.752) 32.576 4.293 ( 31.939 -11.260 1.580) 33.902 5.064 ( -4.782 -4.879 -2.851) 7.402 5.662 ( -2.653 6.090 -0.769) 6.687 6.516 ( -23.134 -2.203 0.915) 23.256 7.487 ( -23.519 5.860 3.400) 24.475 7.963 ( 3.848 -7.133 -4.669) 9.354 8.629 ( 1.568 -0.233 2.641) 3.080 8.691 ( 7.604 -1.437 7.820) 11.002 9.264 ( 7.128 2.369 -8.055) 11.014 9.521 ( 5.505 13.100 2.688) 14.461 10.173 ( -4.017 6.202 -2.121) 7.688 10.850 ( 6.715 7.088 -0.199) 9.766 11.541 ( -2.413 -16.245 3.714) 16.837 11.677 ( -0.853 -3.579 0.458) 3.707 11.937 ( -13.781 -0.326 -2.934) 14.093 12.792 ( 3.054 -1.027 1.314) 3.480 13.206 ( -2.402 1.474 -3.589) 4.563 13.595 ( 1.050 3.898 2.750) 4.885 14.502 ( 0.060 5.691 -2.687) 6.293 14.722 ( 5.885 -8.367 0.846) 10.264 15.968 ( 2.630 -7.872 3.945) 9.190 16.128 ( 15.456 4.435 -0.615) 16.092 17.165 ( -4.487 -3.000 4.425) 6.979 17.761 ( 2.156 1.342 4.647) 5.296 18.767 ( -3.751 -8.611 -6.470) 11.405 20.008 ( -3.739 11.318 -3.800) 12.510 20.510 ( 1.888 0.795 -3.821) 4.335 20.681 ( 2.802 -0.386 2.342) 3.673 21.353 ( -11.615 -0.701 0.915) 11.672 ======================= Grid point 275 (163/294) ======================= q-point: ( 0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.408 ( 24.601 3.861 5.017) 25.402 4.657 ( 21.075 -12.831 2.357) 24.786 4.885 ( -2.059 -8.294 -7.727) 11.521 5.703 ( -5.742 7.428 4.213) 10.290 6.195 ( -7.946 2.519 -3.683) 9.113 7.096 ( -18.969 -5.922 -6.698) 20.970 7.928 ( -8.934 10.291 9.589) 16.664 8.625 ( -0.411 -5.326 7.086) 8.874 8.860 ( 4.194 -1.931 6.763) 8.189 9.118 ( -12.804 12.936 -15.787) 24.094 10.045 ( 21.428 1.358 -15.354) 26.396 10.260 ( 11.918 10.490 20.162) 25.663 10.970 ( 1.314 0.763 2.318) 2.771 11.281 ( -7.381 -13.163 -6.744) 16.529 11.647 ( -1.830 -4.566 5.313) 7.240 11.729 ( -6.289 2.268 -4.938) 8.311 12.768 ( -0.998 -5.895 -0.139) 5.981 13.113 ( -7.612 1.997 -0.271) 7.874 13.676 ( 0.699 2.321 1.921) 3.093 14.578 ( 2.963 7.385 -0.268) 7.962 14.758 ( 6.395 -8.332 0.686) 10.526 15.948 ( 1.455 -6.880 0.725) 7.070 16.420 ( 14.137 5.390 -2.577) 15.348 17.031 ( -7.709 -4.814 0.923) 9.135 17.863 ( 5.706 0.158 1.523) 5.908 18.622 ( -0.197 -8.522 -0.980) 8.581 20.051 ( -3.659 13.175 -1.619) 13.769 20.518 ( 1.060 0.443 -3.975) 4.137 20.752 ( 2.557 0.998 4.874) 5.593 21.144 ( -10.947 -2.370 -0.569) 11.215 ======================= Grid point 276 (164/294) ======================= q-point: (-0.50 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.488 ( -7.484 -14.757 -7.009) 17.970 4.716 ( 3.281 -15.271 -0.581) 15.630 5.012 ( 17.084 1.838 -0.340) 17.186 5.652 ( -1.030 5.705 -0.460) 5.816 6.343 ( 11.656 11.092 -0.405) 16.095 6.749 ( -8.529 -4.464 -3.786) 10.344 7.990 ( -8.203 17.269 13.231) 23.250 8.599 ( -3.795 -6.848 12.834) 15.034 8.792 ( -5.621 -11.957 1.097) 13.258 9.011 ( -8.412 18.218 -15.546) 25.384 10.086 ( -1.741 2.789 -5.662) 6.548 10.615 ( 2.855 -4.141 -5.734) 7.627 10.961 ( 1.531 -2.137 1.587) 3.071 11.192 ( 11.620 -3.274 3.329) 12.523 11.525 ( -7.456 -3.514 3.132) 8.818 11.806 ( 9.520 7.695 -2.265) 12.449 12.687 ( -0.041 -7.653 1.256) 7.756 13.029 ( -6.267 2.740 4.512) 8.194 13.651 ( -5.264 -0.219 0.223) 5.273 14.705 ( 2.623 5.929 -3.103) 7.188 14.775 ( 4.250 -5.661 1.395) 7.215 15.887 ( -0.870 -6.780 -0.451) 6.850 16.638 ( 10.309 -1.040 -7.640) 12.873 16.877 ( -4.071 -2.604 0.859) 4.908 17.939 ( 5.053 -0.974 -6.258) 8.102 18.603 ( 3.862 -5.403 7.326) 9.888 20.110 ( -4.023 13.157 -0.274) 13.761 20.504 ( -0.719 0.456 -3.135) 3.249 20.805 ( -3.545 -2.091 7.770) 8.793 20.994 ( -1.923 1.745 -1.504) 3.001 ======================= Grid point 277 (165/294) ======================= q-point: (-0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( -7.848 -22.552 -13.253) 27.309 4.393 ( -15.049 -19.103 -4.067) 24.656 5.259 ( 9.439 1.839 -4.077) 10.445 5.802 ( 8.483 5.065 -2.311) 10.147 6.477 ( 1.203 2.365 -0.182) 2.660 6.931 ( 19.811 10.210 8.998) 24.035 8.102 ( -7.508 10.642 9.223) 15.959 8.394 ( -13.841 -14.015 10.827) 22.477 8.659 ( 1.123 -4.893 -0.354) 5.033 8.927 ( -9.933 16.846 -13.698) 23.876 10.029 ( -5.383 5.413 -3.927) 8.585 10.518 ( -0.852 -1.284 -6.631) 6.808 10.919 ( -4.081 -0.667 -0.624) 4.182 11.350 ( -0.229 -5.403 -2.302) 5.877 11.477 ( 8.422 -2.028 7.970) 11.771 12.080 ( 11.299 8.010 -2.409) 14.058 12.657 ( 4.473 -10.550 3.133) 11.880 13.021 ( -2.772 4.628 8.776) 10.302 13.527 ( -7.641 -1.207 -0.403) 7.746 14.703 ( -2.807 4.045 -3.854) 6.252 14.818 ( 2.517 -2.400 -1.995) 4.009 15.792 ( -1.819 -6.944 -0.158) 7.180 16.583 ( 4.110 -15.929 -11.480) 20.061 16.927 ( 3.325 5.804 0.397) 6.701 17.944 ( 3.255 -1.285 -10.078) 10.668 18.716 ( 5.816 -0.789 10.465) 11.998 20.164 ( -4.260 11.818 0.980) 12.601 20.464 ( -3.125 0.615 -1.129) 3.379 20.703 ( -5.171 -4.817 3.853) 8.049 21.091 ( 4.480 6.391 3.826) 8.692 ======================= Grid point 278 (166/294) ======================= q-point: (-0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.640 ( -7.716 -27.771 -16.756) 33.340 3.884 ( -15.298 -22.868 -9.585) 29.135 5.326 ( 2.856 -0.473 -6.961) 7.539 5.851 ( -0.911 -11.553 -1.854) 11.736 6.620 ( 6.825 7.470 7.698) 12.713 7.363 ( 8.551 -1.834 9.209) 12.700 7.966 ( 7.142 -3.850 2.468) 8.481 8.365 ( -2.270 13.171 2.200) 13.545 8.633 ( -10.427 12.363 1.228) 16.220 8.907 ( 1.696 7.652 -5.750) 9.721 9.970 ( -5.665 5.679 -4.433) 9.165 10.456 ( -7.129 4.393 -1.920) 8.591 10.834 ( -5.582 0.073 0.593) 5.614 11.256 ( 3.021 -11.278 -2.285) 11.897 11.688 ( 11.066 1.793 4.248) 11.988 12.250 ( 4.759 4.424 -2.232) 6.870 12.590 ( -2.685 -12.373 3.323) 13.089 13.100 ( -0.936 0.252 5.428) 5.514 13.431 ( -0.724 0.575 2.212) 2.397 14.668 ( -5.691 3.599 -3.960) 7.812 14.782 ( 0.082 -0.011 -2.977) 2.978 15.709 ( -0.159 -6.182 0.117) 6.185 16.414 ( 4.225 -17.905 -11.874) 21.896 17.021 ( 2.943 3.652 -2.765) 5.445 17.913 ( 1.439 -1.124 -9.178) 9.358 18.880 ( 4.991 2.596 9.052) 10.658 20.204 ( -5.557 9.742 3.900) 11.874 20.408 ( -3.366 0.960 0.135) 3.503 20.622 ( -1.691 -3.710 1.825) 4.467 21.270 ( 5.222 7.131 5.657) 10.494 ======================= Grid point 279 (167/294) ======================= q-point: (-0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( -9.520 -29.917 -18.953) 36.673 3.348 ( -7.974 -31.391 -14.084) 35.318 5.195 ( -4.891 -28.686 -6.302) 29.774 5.578 ( -4.503 -13.124 -0.997) 13.911 6.891 ( 6.998 9.582 12.099) 16.946 7.411 ( 3.271 6.420 0.376) 7.215 8.393 ( 16.425 10.362 -2.973) 19.647 8.476 ( 5.805 13.281 6.263) 15.790 8.569 ( -11.644 17.412 -4.051) 21.335 9.041 ( 6.044 4.325 4.269) 8.571 9.882 ( -5.583 2.215 -5.293) 8.006 10.327 ( -13.349 7.067 -0.190) 15.105 10.734 ( -8.578 1.998 1.886) 9.007 11.214 ( 10.232 -15.674 -6.188) 19.714 11.930 ( 13.303 0.786 1.273) 13.387 12.300 ( -5.032 -7.997 5.925) 11.153 12.427 ( -2.847 2.270 -0.665) 3.701 13.014 ( -3.196 -7.593 -0.567) 8.257 13.527 ( 3.983 2.197 5.467) 7.112 14.489 ( -8.038 -6.185 -5.416) 11.497 14.858 ( 1.828 9.372 1.232) 9.627 15.657 ( 0.762 -6.568 -0.956) 6.681 16.248 ( 2.139 -11.885 -11.166) 16.448 17.068 ( 3.100 1.230 -5.421) 6.365 17.860 ( -0.419 -1.709 -6.694) 6.922 19.026 ( 2.718 3.447 7.056) 8.310 20.197 ( -9.523 7.189 8.575) 14.693 20.397 ( 0.562 2.321 -1.034) 2.602 20.587 ( -0.070 -2.770 1.075) 2.972 21.465 ( 5.786 6.885 5.079) 10.329 ======================= Grid point 280 (168/294) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -7.817 -32.553 -21.100) 39.573 2.855 ( 0.437 -40.939 -10.978) 42.388 4.615 ( 2.016 -60.098 -6.831) 60.518 5.538 ( -1.164 6.061 -0.345) 6.181 7.155 ( 2.695 11.497 12.894) 17.485 7.627 ( 4.587 19.449 -2.080) 20.091 8.439 ( -7.557 20.527 -14.358) 26.165 8.589 ( 1.619 6.598 1.587) 6.977 8.872 ( 6.376 6.796 6.661) 11.454 9.187 ( 0.942 4.356 6.525) 7.902 9.822 ( 3.868 -2.253 -1.911) 4.868 10.179 ( -9.475 7.486 -4.552) 12.905 10.619 ( -9.136 3.552 2.014) 10.007 11.222 ( 13.995 -14.747 -7.707) 21.742 11.888 ( -10.570 -21.254 -1.071) 23.761 12.269 ( 5.526 7.090 7.897) 11.965 12.529 ( 4.209 7.949 -1.543) 9.127 12.904 ( 0.787 -8.870 -1.065) 8.968 13.619 ( 0.719 1.248 5.547) 5.731 14.293 ( -2.732 -7.604 -1.057) 8.149 14.962 ( -1.410 5.806 1.334) 6.122 15.568 ( -0.230 -9.562 -3.690) 10.252 16.148 ( -1.108 2.132 -7.845) 8.205 17.088 ( 3.209 -0.755 -6.630) 7.404 17.791 ( -0.907 -2.725 -4.108) 5.012 19.114 ( -0.706 2.174 6.727) 7.105 20.162 ( -8.065 6.329 10.538) 14.702 20.438 ( 1.697 2.378 -0.936) 3.068 20.571 ( 0.273 -2.306 0.854) 2.475 21.647 ( 5.004 6.295 2.384) 8.387 ======================= Grid point 281 (169/294) ======================= q-point: (-0.08 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 9.133 -34.378 -15.129) 38.654 2.462 ( 8.389 -44.679 -2.575) 45.533 4.188 ( 25.097 -60.784 -10.329) 66.567 5.578 ( -3.144 8.088 0.652) 8.702 7.343 ( -4.105 13.238 12.138) 18.423 7.789 ( -7.388 21.535 -8.327) 24.243 8.481 ( -3.185 16.660 -6.813) 18.279 8.718 ( 2.770 9.828 0.902) 10.251 8.872 ( -7.348 0.742 1.813) 7.605 9.203 ( -5.693 2.966 2.329) 6.828 9.881 ( 1.223 -5.342 3.870) 6.709 10.188 ( 12.819 0.597 -11.960) 17.542 10.544 ( -6.090 6.217 3.486) 9.375 11.331 ( 13.223 -10.706 -0.865) 17.036 11.449 ( -11.253 -18.254 -1.297) 21.483 12.442 ( 1.377 6.335 2.244) 6.860 12.640 ( 1.039 5.678 -2.773) 6.404 12.853 ( 3.285 -9.463 0.267) 10.021 13.659 ( 1.717 2.996 -0.498) 3.488 14.277 ( 4.921 -7.446 8.273) 12.170 14.893 ( -7.052 -2.102 -1.346) 7.481 15.474 ( 1.853 -6.647 -2.337) 7.286 16.138 ( -4.636 11.574 -4.705) 13.326 17.072 ( 1.122 -2.482 -5.762) 6.373 17.741 ( 0.718 -2.993 -1.991) 3.666 19.130 ( -4.175 1.265 8.319) 9.394 20.208 ( -1.204 6.842 9.620) 11.866 20.475 ( 0.876 1.344 -0.436) 1.663 20.559 ( 0.247 -1.793 0.065) 1.811 21.756 ( 0.502 4.771 -1.628) 5.066 ======================= Grid point 321 (170/294) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -0.000 0.000 40.001) 40.001 1.493 ( -0.000 0.000 40.001) 40.001 2.708 ( -0.000 0.000 70.376) 70.376 5.867 ( 0.000 -0.000 -0.704) 0.704 7.664 ( 0.000 -0.000 -28.214) 28.214 7.664 ( 0.000 -0.000 -28.214) 28.214 8.611 ( 0.000 -0.000 -15.917) 15.917 9.472 ( -0.000 0.000 7.014) 7.014 9.472 ( -0.000 0.000 7.014) 7.014 9.862 ( -0.000 0.000 19.354) 19.354 9.862 ( -0.000 0.000 19.354) 19.354 10.551 ( 0.000 0.000 -2.845) 2.845 10.551 ( 0.000 -0.000 -2.845) 2.845 11.243 ( -0.000 0.000 6.560) 6.560 11.243 ( -0.000 0.000 6.560) 6.560 11.603 ( -0.000 0.000 4.272) 4.272 12.540 ( 0.000 -0.000 -14.647) 14.647 13.218 ( -0.000 0.000 1.549) 1.549 13.678 ( 0.000 -0.000 -2.195) 2.195 13.678 ( 0.000 -0.000 -2.195) 2.195 14.704 ( 0.000 -0.000 -4.615) 4.615 14.704 ( 0.000 -0.000 -4.615) 4.615 17.159 ( -0.000 0.000 10.100) 10.100 17.159 ( -0.000 0.000 10.100) 10.100 17.435 ( 0.000 -0.000 -1.055) 1.055 18.721 ( -0.000 0.000 0.289) 0.289 20.431 ( 0.000 -0.000 -5.211) 5.211 20.431 ( 0.000 -0.000 -5.211) 5.211 20.606 ( -0.000 0.000 5.378) 5.378 21.646 ( 0.000 -0.000 -2.754) 2.754 ======================= Grid point 322 (171/294) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 6.330 18.929 32.947) 38.522 2.200 ( 26.222 10.775 36.212) 45.989 3.370 ( 25.300 9.888 57.851) 63.911 5.814 ( -4.393 -2.127 -0.028) 4.881 7.282 ( -10.628 -3.312 -25.356) 27.692 7.624 ( 5.292 -2.970 -25.705) 26.412 8.480 ( -1.787 -2.858 -15.010) 15.384 9.272 ( -16.302 -9.449 6.302) 19.868 9.572 ( -13.497 -6.851 10.607) 18.483 9.635 ( -3.551 3.293 14.094) 14.903 10.236 ( 5.538 6.806 12.392) 15.185 10.446 ( 3.100 -2.121 -4.138) 5.589 10.546 ( -7.721 -14.504 20.322) 26.133 10.927 ( -4.983 6.761 2.398) 8.734 11.463 ( 4.363 9.315 6.213) 12.017 11.995 ( 20.735 0.621 -9.445) 22.794 12.421 ( -3.496 -1.765 -12.470) 13.071 13.100 ( -7.961 -3.776 2.920) 9.283 13.726 ( 7.762 -3.670 -3.479) 9.264 13.837 ( 10.204 12.759 -0.570) 16.348 14.579 ( -5.315 3.290 -7.560) 9.810 14.925 ( 15.290 3.951 -6.789) 17.190 17.063 ( -13.401 -4.290 11.172) 17.967 17.170 ( -1.170 -3.221 9.279) 9.892 17.582 ( 9.920 4.907 2.879) 11.436 18.741 ( -0.022 1.239 -4.072) 4.256 20.332 ( -6.683 2.611 -6.254) 9.518 20.417 ( 2.478 -1.925 -5.635) 6.450 20.637 ( -0.351 -0.039 5.794) 5.805 21.637 ( 1.482 -2.276 -4.084) 4.905 ======================= Grid point 323 (172/294) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 15.211 27.160 22.532) 38.428 2.901 ( 18.909 10.664 36.334) 42.325 4.330 ( 37.548 13.969 32.875) 51.825 5.699 ( -6.737 -2.318 1.534) 7.288 6.990 ( -4.969 -0.964 -16.556) 17.312 7.500 ( 4.527 -9.616 -20.534) 23.122 8.334 ( -3.901 -4.427 -8.501) 10.348 8.842 ( -22.288 -12.865 4.293) 26.090 9.323 ( -12.148 -9.282 8.568) 17.525 9.689 ( -6.740 6.918 9.528) 13.567 10.306 ( -9.557 8.355 4.648) 13.519 10.414 ( -1.885 -2.307 0.388) 3.004 10.567 ( 13.221 -9.349 8.060) 18.088 11.103 ( 1.194 14.203 11.897) 18.566 11.616 ( 5.635 -0.765 1.619) 5.913 12.147 ( 3.571 -0.857 -13.652) 14.137 12.259 ( 2.222 -8.260 -7.000) 11.053 13.004 ( -4.284 1.499 2.645) 5.253 13.785 ( 8.065 -6.630 -2.013) 10.633 14.165 ( 12.899 9.944 -1.921) 16.400 14.509 ( -6.767 13.389 -5.662) 16.035 15.157 ( 15.113 -0.794 -4.057) 15.668 16.859 ( -13.750 -4.079 13.622) 19.780 17.174 ( -1.389 -2.430 7.830) 8.315 17.822 ( 9.369 3.655 6.537) 11.995 18.652 ( -6.126 -0.896 -8.929) 10.865 20.216 ( -6.457 6.301 -7.620) 11.810 20.415 ( 3.567 -1.703 -6.124) 7.289 20.665 ( -0.443 0.091 5.826) 5.844 21.579 ( -0.232 -6.309 -5.122) 8.129 ======================= Grid point 324 (173/294) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 17.435 25.834 14.638) 34.433 3.505 ( 16.597 10.220 32.967) 38.298 5.133 ( 23.941 10.908 10.296) 28.252 5.573 ( -6.307 -0.726 0.110) 6.350 6.942 ( 5.997 1.737 -4.976) 7.984 7.356 ( 5.099 -15.071 -13.729) 21.015 8.032 ( -22.243 -11.404 6.567) 25.845 8.540 ( -0.738 -3.900 -4.517) 6.013 9.077 ( -9.926 -10.530 3.841) 14.972 9.667 ( -9.179 6.958 6.136) 13.050 10.265 ( -1.031 2.915 -4.406) 5.383 10.345 ( -12.059 13.286 0.863) 17.963 10.805 ( 17.095 -7.053 8.354) 20.292 11.206 ( -6.759 1.565 3.048) 7.578 11.714 ( 10.333 -7.607 6.245) 14.270 11.944 ( -12.306 3.307 -12.834) 18.086 12.291 ( 7.193 -7.372 -2.648) 10.634 12.974 ( -1.818 1.405 -2.298) 3.250 13.881 ( 10.150 -4.551 1.194) 11.187 14.308 ( 5.274 -2.410 -11.030) 12.462 14.606 ( -4.565 22.355 6.039) 23.601 15.406 ( 17.665 -0.356 0.072) 17.669 16.713 ( -11.229 -0.868 16.673) 20.120 17.166 ( -1.645 -2.951 6.128) 6.998 18.013 ( 3.258 0.602 9.391) 9.958 18.439 ( -7.330 -2.331 -12.115) 14.350 20.155 ( -3.746 9.400 -9.654) 13.985 20.427 ( 4.051 -1.699 -5.899) 7.355 20.700 ( 0.440 0.417 5.582) 5.615 21.446 ( -2.908 -8.579 -5.600) 10.650 ======================= Grid point 325 (174/294) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.581 ( 15.290 19.517 8.898) 26.342 4.060 ( 16.373 9.525 26.708) 32.743 5.258 ( -14.623 -3.528 4.804) 15.791 5.694 ( 15.566 11.312 -4.956) 19.870 6.946 ( -5.985 -10.099 -4.348) 12.518 7.160 ( -5.255 -15.198 -5.696) 17.060 7.789 ( 4.314 -0.912 5.237) 6.846 8.560 ( 3.604 -0.863 1.070) 3.857 8.859 ( -3.660 -10.812 0.040) 11.415 9.598 ( -10.728 7.775 3.034) 13.592 10.204 ( -11.235 16.200 -11.677) 22.913 10.402 ( 6.033 4.969 6.136) 9.937 10.966 ( -12.123 -11.607 -4.844) 17.469 11.061 ( 13.895 -5.714 4.587) 15.709 11.659 ( -9.611 -1.931 -10.951) 14.698 11.914 ( 6.337 -0.763 12.859) 14.356 12.288 ( -0.417 -0.961 -0.322) 1.096 12.958 ( 3.179 -1.553 -5.109) 6.215 13.992 ( 3.899 -0.417 -2.978) 4.924 14.287 ( 4.472 -4.369 -5.559) 8.365 14.741 ( -4.595 11.880 7.124) 14.595 15.744 ( 18.451 3.645 2.972) 19.041 16.667 ( -9.352 3.300 20.097) 22.410 17.134 ( -1.735 -4.433 4.853) 6.798 17.924 ( -13.575 -2.494 -5.010) 14.683 18.375 ( 6.188 -2.031 2.126) 6.851 20.146 ( -1.762 11.280 -12.289) 16.774 20.443 ( 3.750 -1.905 -5.162) 6.659 20.765 ( 3.033 1.073 5.107) 6.036 21.258 ( -5.109 -8.956 -5.392) 11.635 ======================= Grid point 326 (175/294) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.977 ( 8.825 9.729 4.411) 13.857 4.542 ( 14.196 6.412 18.227) 23.977 4.917 ( -20.610 -6.148 4.077) 21.891 6.058 ( 13.642 9.943 1.415) 16.940 6.579 ( -13.120 -9.393 -0.850) 16.158 6.923 ( -6.947 -7.984 -3.179) 11.050 8.001 ( 14.935 0.542 -8.036) 16.968 8.578 ( 0.968 -4.955 2.919) 5.832 8.792 ( 5.059 -7.666 0.287) 9.190 9.499 ( -11.758 7.403 2.741) 14.163 10.040 ( -18.953 12.494 -14.231) 26.793 10.506 ( -6.561 -8.349 -11.176) 15.416 10.734 ( 6.522 2.073 5.748) 8.937 11.198 ( 10.859 -8.740 -1.661) 14.038 11.495 ( -6.527 5.881 3.875) 9.603 12.071 ( 7.902 -7.591 11.049) 15.561 12.300 ( -1.694 6.938 1.344) 7.268 12.991 ( 5.694 -0.917 -4.529) 7.333 13.943 ( -4.722 1.935 -8.751) 10.130 14.321 ( 6.541 -7.292 1.049) 9.852 14.774 ( -4.551 4.122 4.681) 7.721 16.068 ( 12.531 1.011 4.136) 13.235 16.671 ( -11.815 5.357 21.475) 25.089 17.088 ( -1.693 -4.996 4.848) 7.164 17.627 ( -10.548 -0.037 -11.007) 15.245 18.516 ( 8.075 -2.958 9.099) 12.520 20.153 ( -1.159 11.337 -14.446) 18.400 20.448 ( 2.708 -2.191 -4.534) 5.717 20.890 ( 6.624 1.420 4.732) 8.264 21.052 ( -5.899 -6.762 -4.879) 10.214 ======================= Grid point 327 (176/294) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.045 ( -8.328 -4.060 0.025) 9.265 4.472 ( -18.328 -10.604 5.692) 21.926 4.941 ( 9.318 4.774 12.455) 16.271 6.095 ( -5.677 -6.717 2.561) 9.160 6.699 ( 10.473 20.227 -1.863) 22.854 6.775 ( 1.640 -1.604 5.741) 6.182 8.109 ( 5.153 -4.839 -9.904) 12.168 8.591 ( 4.369 -5.102 1.368) 6.855 8.777 ( 3.167 -13.191 -2.067) 13.722 9.352 ( -16.985 4.327 2.450) 17.698 9.664 ( -11.881 4.282 -20.658) 24.212 10.290 ( -6.006 2.029 -10.929) 12.634 10.783 ( -3.756 -1.737 -1.852) 4.534 11.432 ( 15.452 0.098 7.450) 17.155 11.573 ( 5.597 4.559 7.615) 10.493 12.152 ( 4.377 -9.153 9.559) 13.939 12.360 ( -2.917 9.867 1.362) 10.378 13.078 ( 6.330 1.669 -2.524) 7.016 13.815 ( -4.858 0.654 -8.918) 10.176 14.345 ( 2.890 -5.530 0.858) 6.298 14.750 ( -2.147 -0.675 3.141) 3.863 16.161 ( -1.447 -6.185 0.620) 6.382 16.595 ( -15.979 1.523 20.539) 26.067 17.037 ( -1.911 -2.158 1.241) 3.139 17.531 ( 1.645 4.483 -2.810) 5.540 18.690 ( 8.853 -2.069 9.572) 13.202 20.147 ( -1.231 10.117 -15.182) 18.286 20.436 ( 1.808 -2.443 -4.306) 5.271 20.859 ( -5.230 -6.786 -0.906) 8.616 21.089 ( 9.223 4.884 0.976) 10.482 ======================= Grid point 328 (177/294) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.649 ( -26.460 -10.812 2.294) 28.676 4.085 ( -18.661 -18.296 7.167) 27.099 5.147 ( 4.629 2.575 6.227) 8.175 5.991 ( -5.648 -0.040 -0.766) 5.700 6.826 ( 9.238 5.322 1.509) 10.768 7.267 ( 18.095 22.593 9.712) 30.531 7.832 ( -21.160 -18.671 -3.956) 28.495 8.534 ( -2.972 -6.222 4.206) 8.077 8.732 ( 13.692 -11.496 -10.634) 20.801 9.175 ( -3.397 6.455 -11.764) 13.842 9.612 ( 4.054 7.286 -7.072) 10.933 10.161 ( -6.074 4.428 -9.191) 11.873 10.682 ( -6.038 2.682 -1.877) 6.869 11.552 ( 0.013 -8.455 11.093) 13.948 11.866 ( 14.611 2.311 1.707) 14.891 12.215 ( 5.267 -3.130 8.482) 10.463 12.378 ( -6.758 8.473 0.762) 10.864 13.151 ( 0.768 0.047 -1.523) 1.706 13.705 ( -1.498 -0.637 -8.646) 8.798 14.348 ( 1.288 -1.216 2.279) 2.887 14.748 ( 1.930 -1.561 1.443) 2.871 15.953 ( -10.373 -8.012 -3.766) 13.637 16.432 ( -17.495 -1.738 18.985) 25.876 17.025 ( 1.963 -2.124 1.211) 3.136 17.651 ( 4.186 5.015 3.920) 7.618 18.881 ( 8.821 -0.086 6.772) 11.121 20.130 ( -1.006 9.044 -14.322) 16.968 20.415 ( 1.515 -2.172 -3.898) 4.713 20.723 ( -4.167 -4.071 -0.311) 5.834 21.306 ( 10.353 4.199 0.043) 11.172 ======================= Grid point 329 (178/294) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -31.606 -11.324 9.829) 34.983 3.542 ( -27.395 -22.659 8.079) 36.458 5.238 ( -1.953 -0.122 3.886) 4.351 5.719 ( -23.546 -8.635 -2.418) 25.196 7.086 ( 11.820 -2.185 -4.377) 12.793 7.340 ( -4.835 -1.983 2.845) 5.950 7.873 ( 18.540 21.672 12.052) 30.962 8.528 ( 3.615 -3.339 2.062) 5.335 8.799 ( 11.556 -6.806 -9.901) 16.670 9.159 ( 2.839 3.946 -12.195) 13.128 9.758 ( 8.299 1.230 0.456) 8.402 10.083 ( -4.899 11.253 -6.995) 14.127 10.619 ( -4.921 4.974 -0.829) 7.046 11.444 ( -5.427 -15.579 9.425) 19.000 12.076 ( 8.590 -3.442 2.825) 9.676 12.244 ( -13.028 10.415 -1.218) 16.724 12.392 ( 8.209 -2.982 1.287) 8.829 13.069 ( -6.027 -4.328 -0.707) 7.453 13.645 ( 0.466 -0.254 -7.686) 7.704 14.372 ( -2.246 -0.311 4.886) 5.387 14.823 ( 6.950 2.654 -1.995) 7.702 15.715 ( -7.837 -4.608 -0.203) 9.094 16.226 ( -14.197 -3.149 13.191) 19.633 17.057 ( 2.261 -3.035 4.470) 5.856 17.766 ( 1.247 2.554 4.985) 5.739 19.045 ( 6.348 1.451 1.097) 6.603 20.126 ( 0.047 9.085 -12.515) 15.465 20.407 ( 2.030 -1.266 -2.161) 3.224 20.632 ( -2.861 -2.434 -0.277) 3.767 21.504 ( 9.658 2.093 -1.206) 9.955 ======================= Grid point 334 (179/294) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 14.688 20.352 33.070) 41.516 2.379 ( -7.062 26.989 33.477) 43.578 3.692 ( -3.235 17.345 58.012) 60.636 5.817 ( 0.416 -4.304 0.322) 4.337 7.085 ( 1.191 -13.330 -25.801) 29.065 7.502 ( -3.819 7.393 -25.316) 26.648 8.388 ( -1.301 -1.643 -15.627) 15.767 9.366 ( -0.869 -12.102 5.950) 13.514 9.622 ( 4.248 -5.991 6.425) 9.758 9.742 ( 2.039 -12.350 17.730) 21.703 10.123 ( -1.326 -14.423 12.786) 19.320 10.445 ( -2.155 6.570 2.951) 7.518 10.803 ( -1.288 7.842 4.109) 8.946 11.089 ( -3.900 -8.716 2.210) 9.801 11.216 ( 11.969 1.553 9.759) 15.521 11.961 ( -7.548 11.282 -11.579) 17.842 12.441 ( -0.429 10.016 -7.427) 12.477 13.091 ( 0.561 -11.631 2.268) 11.863 13.636 ( -4.185 -1.259 -2.017) 4.813 13.840 ( 3.599 12.931 0.089) 13.423 14.653 ( 8.673 8.510 -12.328) 17.309 14.849 ( -7.841 15.413 -4.779) 17.941 17.041 ( 0.886 -17.610 9.596) 20.074 17.325 ( 0.995 0.616 11.529) 11.588 17.582 ( -1.747 10.847 3.522) 11.538 18.737 ( 0.839 0.986 -2.718) 3.011 20.261 ( 4.428 -8.256 -6.510) 11.408 20.389 ( -2.124 1.373 -5.902) 6.421 20.670 ( 0.120 -0.986 6.272) 6.350 21.616 ( -2.216 0.449 -4.492) 5.028 ======================= Grid point 335 (180/294) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 3.015 34.314 25.404) 42.800 2.924 ( 19.277 20.166 29.568) 40.652 4.272 ( 14.062 18.077 43.181) 48.879 5.761 ( -2.718 -3.880 2.075) 5.172 6.832 ( 1.797 -10.911 -21.705) 24.360 7.335 ( -4.570 1.405 -19.720) 20.291 8.270 ( -0.462 -0.251 -11.755) 11.767 9.091 ( -18.442 -16.669 5.665) 25.496 9.449 ( -9.922 -17.616 8.145) 21.797 9.845 ( -1.690 2.404 7.667) 8.211 10.123 ( 14.673 -19.894 13.477) 28.155 10.472 ( -3.768 4.285 -2.406) 6.193 10.755 ( -12.487 12.087 8.206) 19.219 11.123 ( 14.794 -7.385 3.830) 16.973 11.548 ( 3.093 8.509 5.596) 10.644 11.865 ( 5.587 -1.231 -14.148) 15.261 12.392 ( -11.757 8.228 -5.824) 15.487 13.029 ( 1.561 -5.227 2.899) 6.178 13.600 ( 3.922 -5.859 -1.284) 7.166 14.080 ( 7.036 13.311 -0.569) 15.067 14.787 ( -1.771 23.265 -8.779) 24.930 14.916 ( 6.427 4.684 -5.563) 9.705 16.923 ( -1.326 -15.975 9.254) 18.509 17.350 ( -6.641 1.683 13.232) 14.901 17.761 ( 6.928 8.594 4.674) 11.988 18.692 ( -4.115 -0.740 -6.219) 7.494 20.242 ( 6.424 -6.301 -7.068) 11.442 20.313 ( -3.825 2.418 -7.358) 8.638 20.697 ( 0.066 -1.552 6.305) 6.494 21.526 ( -3.122 -3.864 -4.169) 6.485 ======================= Grid point 336 (181/294) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 5.815 31.297 16.993) 36.085 3.579 ( 14.557 16.338 30.977) 37.927 4.947 ( 20.730 17.745 16.930) 32.113 5.678 ( -5.793 -2.586 2.915) 6.982 6.723 ( 9.663 -9.554 -11.408) 17.743 7.158 ( -3.291 -2.325 -13.829) 14.404 8.227 ( -3.353 0.271 -0.391) 3.387 8.590 ( -18.779 -15.373 1.014) 24.290 9.136 ( -10.379 -18.760 3.434) 21.713 9.803 ( -3.353 -4.608 4.601) 7.325 10.264 ( 6.740 -8.512 3.503) 11.408 10.513 ( 4.783 7.880 2.878) 9.657 10.733 ( -9.621 10.368 5.006) 15.004 11.306 ( 18.181 -17.242 1.491) 25.101 11.465 ( -15.015 4.801 -3.943) 16.249 12.028 ( 11.045 3.211 -5.723) 12.848 12.230 ( -9.367 7.246 -0.842) 11.873 13.008 ( -2.923 -1.930 -1.967) 4.017 13.653 ( 10.257 -7.578 3.488) 13.221 14.249 ( 0.647 12.174 -6.872) 13.994 14.925 ( -5.873 17.485 1.432) 18.501 15.120 ( 16.998 7.001 -3.800) 18.772 16.829 ( -0.993 -10.509 10.755) 15.069 17.318 ( -8.002 1.438 11.962) 14.464 17.994 ( 7.445 5.531 7.628) 12.008 18.501 ( -10.162 -2.827 -10.576) 14.937 20.234 ( -3.325 4.872 -9.269) 10.987 20.262 ( 7.030 -4.435 -7.100) 10.931 20.721 ( 0.396 -1.833 6.052) 6.336 21.391 ( -3.649 -6.923 -4.120) 8.844 ======================= Grid point 337 (182/294) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.677 ( 7.553 25.311 9.675) 28.130 4.110 ( 10.761 12.353 29.168) 33.453 5.459 ( 7.793 11.827 8.104) 16.319 5.532 ( -2.371 1.254 -6.826) 7.334 6.762 ( 10.880 -16.547 -5.224) 20.481 7.015 ( -3.301 -3.490 -8.481) 9.747 7.957 ( -17.341 -7.456 8.084) 20.534 8.493 ( 6.744 4.413 0.125) 8.061 8.792 ( -7.431 -21.321 -1.590) 22.635 9.743 ( -1.379 -3.718 2.689) 4.791 10.274 ( 0.244 1.801 -3.892) 4.295 10.625 ( -7.828 11.430 3.669) 14.331 10.782 ( 9.222 -3.338 3.616) 10.453 11.169 ( -19.209 0.985 -7.766) 20.743 11.435 ( 16.175 -14.272 0.098) 21.571 12.022 ( -7.672 5.708 -4.756) 10.680 12.331 ( 3.493 6.544 8.430) 11.229 12.883 ( -2.527 -4.354 -6.222) 8.004 13.814 ( 12.255 -7.320 5.798) 15.407 14.276 ( -4.614 12.478 -10.459) 16.923 14.955 ( -4.417 4.423 3.939) 7.389 15.515 ( 17.517 11.143 2.729) 20.940 16.835 ( 1.042 -3.481 13.819) 14.289 17.248 ( -8.586 -0.881 9.430) 12.784 18.127 ( -12.054 1.198 1.036) 12.158 18.263 ( 3.875 -1.374 -4.491) 6.089 20.183 ( -0.565 5.117 -12.823) 13.818 20.305 ( 5.663 -1.240 -5.457) 7.961 20.754 ( 1.747 -1.771 5.627) 6.152 21.225 ( -4.522 -7.742 -4.030) 9.830 ======================= Grid point 338 (183/294) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.040 ( 4.281 18.591 4.489) 19.598 4.530 ( 9.155 7.128 21.546) 24.472 5.229 ( -18.409 -3.916 3.799) 19.201 5.904 ( 16.278 12.026 -0.948) 20.261 6.615 ( -3.318 -15.934 -2.013) 16.400 6.856 ( -2.964 -8.980 -2.895) 9.890 7.841 ( 2.582 3.227 -4.920) 6.425 8.476 ( -1.637 -20.749 -5.332) 21.486 8.679 ( 4.880 3.222 6.452) 8.708 9.697 ( -3.694 -0.413 0.586) 3.763 10.261 ( -2.370 3.222 -7.963) 8.911 10.594 ( -15.747 4.923 -4.113) 17.004 10.819 ( -10.510 5.510 -2.355) 12.098 10.911 ( 12.102 -6.666 1.600) 13.909 11.580 ( 7.268 -3.435 4.989) 9.461 11.927 ( -1.501 -1.728 -0.750) 2.408 12.457 ( -2.145 7.252 7.447) 10.614 12.842 ( 6.351 -2.961 -4.702) 8.439 13.930 ( 4.605 -5.961 2.185) 7.843 14.245 ( -3.378 9.095 -7.652) 12.356 14.917 ( -5.180 -0.401 3.951) 6.527 15.897 ( 14.102 5.506 5.327) 16.049 16.948 ( 0.156 1.712 18.712) 18.791 17.124 ( -7.573 -5.144 5.183) 10.520 17.804 ( -16.009 1.745 -11.492) 19.784 18.415 ( 7.395 -0.425 8.686) 11.415 20.153 ( 1.185 4.754 -15.256) 16.024 20.353 ( 3.538 0.950 -4.580) 5.865 20.823 ( 4.622 -1.503 5.133) 7.069 21.051 ( -4.869 -6.049 -3.959) 8.716 ======================= Grid point 339 (184/294) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.188 ( -6.056 9.183 0.726) 11.024 4.695 ( -9.975 -6.102 6.164) 13.218 5.000 ( -4.316 2.826 14.141) 15.053 6.064 ( 0.738 -10.933 3.324) 11.451 6.653 ( 10.911 8.112 -3.224) 13.973 6.745 ( 2.319 -0.982 6.339) 6.821 7.931 ( 7.636 4.364 -11.589) 14.548 8.280 ( 8.210 -21.120 -9.844) 24.706 8.765 ( -2.311 0.891 6.348) 6.814 9.632 ( -3.718 2.138 -1.108) 4.430 9.910 ( -32.967 -1.261 -15.077) 36.273 10.335 ( -4.067 0.145 -5.002) 6.449 10.806 ( -1.028 4.229 -6.600) 7.906 11.219 ( 17.310 4.194 12.934) 22.011 11.619 ( -1.826 -0.682 5.643) 5.970 11.970 ( 8.490 -7.050 2.271) 11.267 12.529 ( -1.767 9.950 2.656) 10.449 12.950 ( 9.153 -0.570 -0.453) 9.182 13.858 ( -5.667 -3.089 -4.990) 8.158 14.275 ( 1.695 3.934 -0.923) 4.382 14.832 ( -5.260 -2.447 3.651) 6.855 16.110 ( 4.200 -2.255 4.495) 6.553 16.918 ( -10.796 -5.296 11.003) 16.300 17.071 ( -2.521 -2.731 8.478) 9.257 17.596 ( -5.283 7.610 -5.539) 10.794 18.589 ( 7.607 -0.345 9.207) 11.948 20.128 ( 1.764 4.268 -15.559) 16.230 20.379 ( 1.033 1.805 -4.253) 4.734 20.866 ( -3.036 -6.743 2.350) 7.759 20.985 ( 6.615 2.810 -2.342) 7.559 ======================= Grid point 340 (185/294) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.009 ( -20.694 0.946 0.864) 20.734 4.325 ( -21.650 -12.852 8.319) 26.516 5.147 ( 3.767 2.458 9.845) 10.824 6.000 ( 1.096 -5.838 1.997) 6.267 6.680 ( 7.056 -7.606 2.768) 10.738 7.227 ( 20.052 23.162 6.121) 31.241 7.957 ( -4.718 -1.529 -6.407) 8.102 8.227 ( 16.555 -15.474 -16.101) 27.798 8.659 ( -13.454 -3.550 5.121) 14.827 9.279 ( -18.687 -3.477 -18.302) 26.387 9.641 ( -1.051 6.235 3.400) 7.179 10.268 ( -4.511 5.162 -3.835) 7.855 10.778 ( -3.055 5.645 -6.243) 8.954 11.517 ( 3.943 -7.249 11.854) 14.443 11.680 ( 9.212 1.554 1.521) 9.465 12.065 ( 8.679 -4.177 3.819) 10.361 12.606 ( -4.214 10.966 1.549) 11.850 13.098 ( 7.148 0.523 -0.052) 7.167 13.674 ( -5.597 -4.866 -7.301) 10.407 14.346 ( 1.813 5.090 0.965) 5.488 14.763 ( -2.863 -2.581 5.240) 6.505 16.024 ( -8.445 -6.992 -1.323) 11.044 16.763 ( -12.020 -9.114 18.617) 23.961 16.995 ( -2.043 -0.369 -3.469) 4.043 17.675 ( 2.865 6.375 5.528) 8.911 18.774 ( 8.277 0.684 6.535) 10.568 20.112 ( 1.931 4.805 -13.747) 14.690 20.377 ( -0.296 1.952 -3.837) 4.316 20.750 ( -4.149 -3.971 0.224) 5.747 21.156 ( 10.335 2.673 -2.190) 10.897 ======================= Grid point 341 (186/294) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.587 ( -29.553 -3.114 8.351) 30.868 3.861 ( -25.160 -13.835 10.599) 30.607 5.260 ( 2.181 0.845 6.515) 6.922 5.942 ( -7.857 -4.607 0.488) 9.121 6.799 ( 12.697 -7.017 -2.483) 14.718 7.557 ( -20.088 -4.891 -5.075) 21.288 7.869 ( 16.496 23.656 12.251) 31.333 8.318 ( 18.500 -9.556 -15.738) 26.101 8.488 ( -1.366 -3.518 2.124) 4.331 9.047 ( 1.277 -2.837 -11.961) 12.358 9.754 ( 2.573 7.405 5.323) 9.476 10.248 ( -4.403 11.743 -3.461) 13.010 10.743 ( -4.198 6.526 -3.931) 8.698 11.441 ( -4.749 -14.474 8.136) 17.270 11.845 ( 10.608 -3.786 -1.926) 11.427 12.233 ( 9.403 -0.457 3.196) 9.942 12.570 ( -12.109 7.323 -0.137) 14.152 13.133 ( -3.150 -0.866 -0.861) 3.379 13.544 ( 1.608 -4.555 -7.065) 8.559 14.460 ( 1.595 7.120 4.791) 8.729 14.751 ( 0.839 -0.830 2.984) 3.209 15.792 ( -8.125 -4.777 -2.172) 9.672 16.514 ( -16.637 -11.252 14.942) 25.033 17.007 ( 3.366 -0.611 0.957) 3.552 17.805 ( 1.743 2.398 7.783) 8.328 18.942 ( 7.423 0.841 0.749) 7.508 20.129 ( 2.056 7.464 -10.676) 13.188 20.371 ( 0.152 1.625 -2.347) 2.859 20.657 ( -3.369 -2.278 -0.314) 4.079 21.332 ( 10.272 1.154 -3.985) 11.079 ======================= Grid point 346 (187/294) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -1.499 20.444 28.345) 34.981 3.001 ( -12.595 19.372 33.557) 40.743 4.397 ( -17.192 24.900 38.130) 48.677 5.733 ( 3.814 -5.952 1.489) 7.224 6.832 ( -1.607 -8.000 -18.672) 20.377 7.491 ( -2.042 9.424 -22.657) 24.624 8.314 ( -0.434 1.806 -13.095) 13.226 9.079 ( 18.681 -18.309 6.793) 27.026 9.472 ( 6.553 -12.812 6.369) 15.737 9.670 ( 3.992 -11.138 17.043) 20.748 10.154 ( -6.404 -10.507 7.767) 14.552 10.425 ( 9.956 -4.562 -7.832) 13.464 10.767 ( -1.625 -4.902 5.252) 7.366 11.080 ( 0.049 14.368 13.575) 19.767 11.468 ( -13.925 2.190 2.199) 14.267 12.044 ( -3.529 2.016 -15.793) 16.307 12.492 ( 6.618 17.560 -3.620) 19.112 12.962 ( 1.494 -10.945 2.285) 11.280 13.801 ( -13.865 -0.459 -2.159) 14.040 13.936 ( -2.827 7.649 3.346) 8.814 14.502 ( 8.677 9.347 -11.670) 17.287 15.157 ( -8.976 19.714 -4.600) 22.144 16.888 ( 3.136 -18.582 11.481) 22.067 17.314 ( 5.445 2.089 6.409) 8.665 17.822 ( -7.184 10.114 9.005) 15.330 18.659 ( 5.366 -2.710 -4.804) 7.695 20.063 ( 1.707 -11.355 -6.961) 13.427 20.396 ( -1.301 2.309 -5.820) 6.395 20.692 ( 0.129 -1.826 6.295) 6.555 21.614 ( 0.249 0.739 -6.479) 6.526 ======================= Grid point 347 (188/294) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 18.958 28.991 25.333) 42.914 3.237 ( -6.156 22.948 26.599) 35.665 4.666 ( -5.071 22.764 34.389) 41.551 5.738 ( 1.907 -5.141 3.018) 6.259 6.600 ( -2.239 -7.222 -18.862) 20.321 7.355 ( -6.690 4.692 -18.778) 20.479 8.237 ( -1.996 4.252 -10.663) 11.652 9.118 ( 1.627 -21.859 5.929) 22.707 9.365 ( -2.393 -20.586 3.002) 20.941 9.796 ( 11.205 -12.700 18.038) 24.742 9.989 ( -7.656 -7.147 6.469) 12.310 10.532 ( 9.865 -3.015 -6.251) 12.061 10.669 ( 2.166 -14.155 5.368) 15.293 11.166 ( -10.377 12.820 0.679) 16.508 11.538 ( 9.050 11.739 3.271) 15.179 11.899 ( -7.591 5.383 -9.013) 12.955 12.624 ( -7.975 9.206 -3.394) 12.644 12.916 ( 5.274 -7.297 2.858) 9.446 13.560 ( -6.052 -4.429 -1.169) 7.590 14.139 ( 5.726 15.055 4.429) 16.705 14.676 ( 9.151 8.588 -12.186) 17.493 15.188 ( -9.286 24.710 -5.052) 26.876 16.809 ( 1.584 -17.212 10.119) 20.029 17.440 ( 3.166 -0.864 7.674) 8.346 17.888 ( -4.142 12.276 8.984) 15.766 18.670 ( 1.330 -2.765 -5.458) 6.262 19.987 ( 7.149 -10.998 -6.627) 14.696 20.345 ( -2.626 1.826 -6.382) 7.139 20.711 ( 0.286 -2.772 6.452) 7.028 21.532 ( -3.750 -2.731 -5.956) 7.549 ======================= Grid point 348 (189/294) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( 0.883 20.963 16.967) 26.983 3.667 ( 17.232 25.922 24.718) 39.747 5.049 ( 4.198 22.137 18.425) 29.105 5.734 ( -0.999 -3.186 4.864) 5.900 6.437 ( 3.138 -5.835 -13.454) 14.997 7.165 ( -6.396 0.743 -13.227) 14.711 8.246 ( 1.629 8.437 -3.548) 9.296 8.774 ( -18.283 -22.481 5.382) 29.473 9.059 ( -6.249 -27.132 -1.026) 27.861 9.817 ( -3.753 -12.751 8.037) 15.533 10.006 ( 11.450 -7.519 8.503) 16.122 10.595 ( -1.172 8.330 0.253) 8.416 10.721 ( 22.417 -22.858 -0.556) 32.020 11.113 ( -13.390 14.905 0.426) 20.041 11.660 ( -2.304 -1.845 -11.824) 12.187 11.942 ( 3.977 15.532 6.557) 17.322 12.453 ( -11.798 3.503 -2.883) 12.640 12.989 ( 2.655 -0.978 -0.422) 2.861 13.487 ( 2.877 -5.342 0.979) 6.146 14.387 ( 0.714 17.067 2.537) 17.269 14.830 ( 10.880 0.365 -7.354) 13.137 15.278 ( -5.684 26.466 -2.871) 27.221 16.760 ( 2.659 -11.456 9.695) 15.241 17.482 ( -2.424 -2.520 9.365) 9.997 18.030 ( 1.242 11.310 6.743) 13.225 18.559 ( -6.033 -3.723 -7.360) 10.219 19.996 ( 9.848 -9.227 -7.608) 15.492 20.278 ( -2.634 2.771 -6.871) 7.863 20.726 ( 0.437 -3.241 6.323) 7.119 21.383 ( -4.988 -5.323 -4.712) 8.684 ======================= Grid point 349 (190/294) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.863 ( 4.979 19.542 9.076) 22.114 4.258 ( 9.738 16.925 26.334) 32.784 5.408 ( 7.899 19.427 -4.533) 21.456 5.683 ( -6.114 -0.893 7.539) 9.748 6.420 ( 7.746 -7.804 -6.108) 12.578 7.018 ( -3.934 -0.630 -7.881) 8.831 8.228 ( -21.594 -15.505 7.226) 27.548 8.435 ( 6.521 7.318 1.058) 9.859 8.655 ( -5.953 -27.770 -4.256) 28.718 9.693 ( -1.310 -10.182 3.879) 10.974 10.138 ( 9.802 -9.692 3.175) 14.145 10.656 ( 3.257 0.131 -0.976) 3.403 10.923 ( 8.395 -4.442 5.607) 11.029 11.029 ( -0.254 6.117 -3.586) 7.095 11.450 ( -13.813 1.609 -6.876) 15.514 12.165 ( -1.514 13.465 -2.860) 13.848 12.367 ( 0.963 1.926 4.729) 5.196 12.899 ( -7.653 -3.224 -5.499) 9.960 13.580 ( 11.171 -5.911 5.820) 13.915 14.497 ( -7.229 18.115 -3.838) 19.878 14.932 ( 6.778 -5.337 -1.345) 8.731 15.498 ( 4.385 20.499 2.137) 21.072 16.812 ( 5.048 -3.704 10.941) 12.606 17.425 ( -7.038 -3.869 8.257) 11.519 18.177 ( 2.041 3.109 -5.368) 6.530 18.351 ( -10.276 1.668 2.454) 10.696 20.016 ( 8.102 -7.310 -10.808) 15.359 20.254 ( 0.579 4.529 -5.583) 7.212 20.742 ( 0.949 -3.314 5.979) 6.901 21.216 ( -5.029 -6.165 -3.677) 8.764 ======================= Grid point 350 (191/294) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.182 ( 5.593 18.601 3.693) 19.771 4.637 ( 3.200 8.340 22.264) 23.990 5.445 ( -8.315 -1.416 -3.773) 9.240 5.807 ( 7.558 12.866 1.983) 15.053 6.412 ( 4.686 -8.852 -2.918) 10.433 6.885 ( -6.388 -3.953 -1.134) 7.597 7.866 ( -8.421 -5.047 -2.208) 10.062 8.215 ( -2.853 -29.891 -8.093) 31.099 8.718 ( 5.083 9.629 7.956) 13.485 9.632 ( 3.086 -9.374 0.729) 9.896 10.192 ( 5.401 -7.334 0.360) 9.115 10.703 ( 4.501 0.116 -4.910) 6.662 10.870 ( -8.368 7.417 -2.000) 11.359 11.173 ( -17.791 6.883 0.088) 19.076 11.298 ( 17.878 -3.364 4.327) 18.699 12.083 ( -13.182 5.900 -3.917) 14.964 12.537 ( 7.870 1.317 7.643) 11.049 12.713 ( -3.464 -2.246 -6.916) 8.055 13.755 ( 10.559 -6.383 6.955) 14.164 14.469 ( -11.030 16.401 -7.654) 21.195 14.941 ( 1.080 -5.837 1.326) 6.083 15.800 ( 9.620 10.428 5.294) 15.143 16.973 ( 6.089 -0.381 13.651) 14.952 17.272 ( -9.914 -5.503 4.518) 12.206 17.967 ( -10.667 -1.726 -15.215) 18.662 18.427 ( 0.632 6.496 12.867) 14.427 19.999 ( 6.095 -4.389 -13.797) 15.709 20.308 ( 2.913 5.071 -4.202) 7.201 20.774 ( 2.564 -2.905 5.406) 6.651 21.057 ( -4.833 -5.040 -3.039) 7.616 ======================= Grid point 351 (192/294) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.409 ( -2.568 16.983 0.054) 17.176 4.787 ( -2.264 -1.092 10.291) 10.594 5.243 ( -12.222 -1.911 7.453) 14.442 5.934 ( 2.926 -10.282 2.492) 10.976 6.496 ( 9.367 4.391 -2.928) 10.752 6.779 ( -1.166 0.252 6.054) 6.170 7.802 ( 4.238 3.108 -10.036) 11.329 7.896 ( 3.480 -23.392 -9.153) 25.359 8.859 ( -1.015 3.516 6.172) 7.175 9.583 ( 1.695 -7.876 -5.379) 9.687 10.170 ( -2.584 -4.538 -2.715) 5.885 10.567 ( -22.135 5.908 -7.880) 24.227 10.813 ( -0.214 5.826 -5.780) 8.209 11.167 ( 4.254 8.834 14.117) 17.188 11.560 ( 12.335 -5.622 6.283) 14.941 11.886 ( -7.057 -1.393 -2.905) 7.757 12.648 ( -1.252 7.866 1.002) 8.028 12.748 ( 11.461 -3.501 -0.807) 12.011 13.843 ( 1.705 -6.294 3.672) 7.484 14.398 ( -7.674 12.915 -5.570) 16.022 14.884 ( -2.450 -4.749 2.039) 5.720 16.046 ( 6.777 2.358 6.232) 9.504 16.989 ( -6.310 -8.954 -2.257) 11.184 17.172 ( -2.133 -4.059 16.387) 17.017 17.738 ( -7.363 5.412 -9.502) 13.183 18.577 ( 2.382 4.095 11.098) 12.067 19.983 ( 5.756 -1.713 -14.181) 15.400 20.373 ( 1.437 4.892 -3.780) 6.346 20.842 ( 3.915 -2.806 5.623) 7.404 20.929 ( -2.734 -1.534 -4.423) 5.421 ======================= Grid point 352 (193/294) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.379 ( -16.441 10.897 -0.934) 19.746 4.610 ( -17.561 -8.481 6.687) 20.616 5.190 ( 0.037 -0.191 9.861) 9.863 5.889 ( 3.806 -10.297 3.871) 11.640 6.536 ( 1.656 -8.632 4.012) 9.662 7.057 ( 20.619 6.627 -1.362) 21.701 7.787 ( 9.113 -6.055 -9.470) 14.470 7.918 ( 7.683 7.509 -6.546) 12.580 8.841 ( -5.954 -1.705 4.524) 7.669 9.402 ( -11.230 -7.145 -19.401) 23.528 9.891 ( -19.225 2.483 3.188) 19.646 10.371 ( -5.409 5.127 2.609) 7.896 10.830 ( -0.958 7.039 -7.004) 9.975 11.427 ( 7.554 -3.696 12.120) 14.752 11.633 ( -0.452 0.732 0.993) 1.314 11.889 ( 10.462 -4.169 2.152) 11.466 12.742 ( 0.203 9.637 0.642) 9.661 12.908 ( 11.940 -2.642 -1.939) 12.382 13.721 ( -8.236 -5.296 -2.754) 10.172 14.421 ( -1.501 9.803 0.140) 9.918 14.817 ( -2.602 -2.888 4.202) 5.724 16.083 ( -5.111 -4.828 2.059) 7.326 16.827 ( -0.722 -6.434 0.853) 6.530 17.076 ( -9.072 -9.541 7.056) 14.938 17.742 ( 0.551 6.856 3.496) 7.715 18.720 ( 4.257 2.538 6.803) 8.417 19.995 ( 5.681 1.089 -11.726) 13.075 20.401 ( -0.709 4.338 -3.316) 5.506 20.798 ( -4.800 -1.948 0.902) 5.259 20.996 ( 8.926 1.102 -2.391) 9.306 ======================= Grid point 353 (194/294) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.079 ( -25.619 -1.333 5.810) 26.303 4.247 ( -23.016 -2.120 8.644) 24.677 5.267 ( 2.424 -1.142 7.252) 7.731 5.905 ( 4.787 -7.123 2.568) 8.958 6.547 ( 7.117 -7.401 1.275) 10.347 7.353 ( 20.896 -14.295 -10.815) 27.531 7.993 ( 13.664 14.851 -9.387) 22.257 8.089 ( -2.161 15.239 5.692) 16.410 8.634 ( -17.954 -3.451 2.599) 18.467 8.959 ( -7.331 -6.378 -14.408) 17.378 9.836 ( -0.479 6.379 6.424) 9.066 10.390 ( -2.195 6.918 2.122) 7.561 10.834 ( -2.243 6.782 -4.506) 8.445 11.425 ( -3.055 -9.945 5.429) 11.735 11.664 ( 4.921 -3.562 -2.385) 6.527 12.089 ( 11.069 -0.675 4.684) 12.038 12.772 ( -5.836 2.565 0.269) 6.380 13.058 ( 8.919 -0.061 -5.791) 10.634 13.512 ( -7.056 -2.890 -3.621) 8.441 14.521 ( 1.696 9.384 2.050) 9.754 14.797 ( -1.906 -1.618 6.797) 7.243 15.879 ( -9.613 -5.322 -2.024) 11.173 16.717 ( -11.860 -15.677 14.546) 24.454 16.943 ( 2.922 0.613 -4.138) 5.102 17.848 ( 1.461 1.528 9.062) 9.305 18.837 ( 5.296 0.233 -0.648) 5.341 20.063 ( 5.989 4.957 -7.044) 10.491 20.402 ( -1.543 4.095 -2.467) 5.024 20.707 ( -4.767 -0.453 -0.547) 4.820 21.146 ( 9.716 0.578 -4.235) 10.615 ======================= Grid point 358 (195/294) ======================= q-point: ( 0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( -14.738 18.225 20.942) 31.431 3.567 ( -12.565 13.378 32.196) 37.060 5.062 ( -15.212 19.081 12.993) 27.646 5.600 ( 5.607 -7.239 1.609) 9.297 6.805 ( -8.903 0.727 -8.040) 12.018 7.486 ( 0.752 11.780 -16.411) 20.215 8.245 ( 9.000 -1.781 -0.058) 9.174 8.621 ( 13.642 -10.983 -0.928) 17.539 9.242 ( 9.980 -11.310 3.936) 15.589 9.585 ( 1.986 -16.080 14.212) 21.552 10.081 ( 3.071 -19.793 -7.286) 21.314 10.234 ( -2.611 -0.168 1.303) 2.922 10.894 ( -6.162 5.796 4.478) 9.572 11.298 ( -0.205 8.157 10.477) 13.280 11.636 ( -5.937 -4.619 -0.751) 7.560 11.962 ( 3.715 4.451 -11.988) 13.316 12.511 ( 9.143 15.555 -2.941) 18.282 12.888 ( -2.984 -7.294 -0.666) 7.909 13.940 ( 0.051 9.511 -2.438) 9.819 14.161 ( -20.634 -12.183 4.788) 24.436 14.435 ( 5.604 14.811 -6.720) 17.202 15.455 ( -6.193 19.223 -1.020) 20.222 16.743 ( 2.227 -16.564 14.159) 21.905 17.285 ( 4.538 2.995 3.684) 6.568 18.074 ( -3.356 6.748 11.091) 13.409 18.458 ( 8.160 -3.758 -6.817) 11.277 19.920 ( -3.366 -11.038 -8.815) 14.521 20.413 ( -1.495 3.484 -5.802) 6.931 20.711 ( -0.625 -2.109 5.773) 6.178 21.531 ( 4.598 -0.528 -7.359) 8.693 ======================= Grid point 359 (196/294) ======================= q-point: ( 0.33 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( 6.585 27.833 21.176) 35.587 3.714 ( -8.465 15.862 27.310) 32.697 5.138 ( -7.040 18.712 12.445) 23.549 5.644 ( 5.330 -5.899 4.045) 8.920 6.591 ( -10.293 1.764 -10.675) 14.934 7.410 ( -6.760 4.853 -15.962) 18.000 8.304 ( -3.152 10.308 -4.871) 11.828 8.733 ( 15.822 -24.390 4.449) 29.411 9.205 ( 2.268 -18.599 -1.563) 18.802 9.607 ( 7.128 -18.508 20.740) 28.697 9.991 ( 9.424 -14.411 -2.134) 17.351 10.176 ( -2.140 -5.910 -1.224) 6.404 10.802 ( -9.708 -0.283 4.353) 10.643 11.359 ( -2.237 8.070 0.252) 8.378 11.629 ( -1.969 9.725 -0.937) 9.966 11.950 ( -0.083 5.042 -8.869) 10.203 12.745 ( 0.278 -2.665 0.549) 2.735 12.804 ( 4.771 6.718 -1.447) 8.366 13.699 ( -17.591 -7.594 1.325) 19.206 14.177 ( 8.845 12.317 1.844) 15.276 14.609 ( 3.556 11.707 -6.016) 13.634 15.541 ( -7.032 23.281 -3.052) 24.511 16.685 ( 1.325 -15.935 12.158) 20.088 17.402 ( 4.208 1.953 2.169) 5.121 18.162 ( -5.011 10.661 12.719) 17.336 18.519 ( 7.112 -4.556 -6.060) 10.395 19.748 ( 2.537 -12.101 -6.783) 14.102 20.371 ( -2.644 2.551 -6.096) 7.117 20.715 ( 0.065 -3.500 6.131) 7.060 21.498 ( -0.446 -3.619 -7.609) 8.437 ======================= Grid point 360 (197/294) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.652 ( 11.213 17.892 13.903) 25.282 3.956 ( 0.206 22.814 23.465) 32.728 5.323 ( -0.297 18.996 6.237) 19.995 5.709 ( 3.552 -3.692 6.294) 8.115 6.406 ( -7.464 5.077 -8.411) 12.338 7.208 ( -7.898 0.027 -13.427) 15.577 8.341 ( -2.394 12.562 -0.552) 12.800 8.640 ( 2.764 -30.826 0.950) 30.965 8.961 ( -8.311 -20.682 -1.763) 22.359 9.680 ( 8.277 -20.450 21.208) 30.602 9.990 ( -7.109 -1.856 1.680) 7.537 10.115 ( 19.955 -21.185 -3.428) 29.304 10.706 ( -3.866 5.135 1.036) 6.511 11.448 ( -2.848 15.832 -3.532) 16.469 11.577 ( -5.758 1.157 -7.759) 9.731 12.028 ( 4.576 6.203 0.460) 7.722 12.641 ( -6.151 -4.341 2.488) 7.929 12.949 ( 1.396 8.797 -2.622) 9.285 13.455 ( -4.519 -4.929 -0.194) 6.690 14.477 ( 9.902 11.371 2.165) 15.233 14.709 ( 1.259 6.991 -2.707) 7.601 15.626 ( -7.830 24.241 -3.568) 25.723 16.659 ( 3.407 -10.338 10.438) 15.081 17.484 ( 2.628 -0.563 2.521) 3.685 18.250 ( -6.816 12.312 8.790) 16.593 18.513 ( 2.649 -5.056 -5.372) 7.838 19.693 ( 8.456 -11.472 -5.599) 15.312 20.306 ( -2.918 2.044 -6.108) 7.071 20.721 ( 0.520 -4.007 6.181) 7.385 21.373 ( -3.505 -5.578 -6.244) 9.076 ======================= Grid point 361 (198/294) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.953 ( 6.477 9.646 6.418) 13.273 4.427 ( 8.531 20.413 22.034) 31.224 5.512 ( -0.711 17.134 -7.663) 18.783 5.752 ( 1.477 -0.927 5.838) 6.093 6.363 ( -3.049 7.776 0.453) 8.365 7.028 ( -4.265 -0.569 -9.196) 10.153 8.302 ( -4.265 -32.038 -2.035) 32.384 8.487 ( 0.652 2.706 1.042) 2.972 8.507 ( -15.258 -11.489 3.199) 19.366 9.669 ( -3.194 -14.419 10.122) 17.904 9.908 ( 6.420 -9.945 3.775) 12.425 10.294 ( 21.941 -15.936 -1.014) 27.136 10.801 ( 4.863 9.662 0.784) 10.845 11.324 ( -15.854 3.768 -3.833) 16.741 11.551 ( -1.484 7.487 -6.899) 10.289 12.184 ( 7.974 2.590 1.365) 8.495 12.520 ( -9.776 5.415 1.434) 11.267 12.973 ( -4.366 3.054 -4.870) 7.219 13.417 ( 4.564 -4.258 2.642) 6.778 14.708 ( 9.796 -0.103 -0.949) 9.843 14.769 ( -3.947 11.323 0.604) 12.006 15.716 ( -4.892 19.555 -0.251) 20.159 16.744 ( 6.766 -2.424 10.048) 12.354 17.491 ( -1.843 -3.945 3.372) 5.507 18.197 ( -6.986 2.130 -12.425) 14.412 18.529 ( -2.097 5.584 11.144) 12.640 19.711 ( 10.215 -10.434 -7.750) 16.532 20.260 ( -0.808 2.957 -4.885) 5.768 20.729 ( 0.751 -4.018 5.924) 7.197 21.217 ( -4.362 -5.688 -4.247) 8.331 ======================= Grid point 362 (199/294) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.211 ( 9.832 10.202 2.870) 14.457 4.807 ( 3.455 9.942 18.695) 21.454 5.489 ( -4.336 3.049 -10.214) 11.508 5.853 ( 2.077 7.061 -0.643) 7.389 6.404 ( -3.980 9.597 3.541) 10.976 6.933 ( -3.138 -2.096 -1.519) 4.068 7.903 ( -3.473 -29.909 -6.179) 30.738 8.005 ( -16.181 -13.339 -0.069) 20.971 8.757 ( 7.290 10.280 6.427) 14.147 9.513 ( -1.807 -12.627 2.642) 13.027 9.987 ( 8.973 -9.391 5.096) 13.953 10.500 ( 17.231 -8.026 -2.403) 19.160 10.999 ( 4.012 2.836 1.229) 5.064 11.101 ( -5.455 4.691 -3.251) 7.895 11.515 ( -9.410 10.341 -1.789) 14.096 12.339 ( 7.407 -7.939 0.314) 10.863 12.410 ( -11.774 13.798 -1.851) 18.232 12.819 ( -9.483 1.360 -3.640) 10.248 13.549 ( 11.727 -5.082 6.111) 14.167 14.741 ( -4.602 3.310 -4.579) 7.287 14.835 ( 1.538 3.629 0.826) 4.027 15.848 ( 1.215 11.860 3.935) 12.554 16.934 ( 7.428 0.132 11.772) 13.920 17.377 ( -7.246 -6.477 1.680) 9.863 17.980 ( -6.599 0.031 -19.251) 20.350 18.636 ( -4.229 8.439 15.771) 18.380 19.725 ( 9.418 -8.380 -11.396) 16.994 20.288 ( 2.384 4.347 -2.890) 5.738 20.742 ( 1.385 -3.613 5.229) 6.505 21.076 ( -4.324 -3.949 -2.388) 6.324 ======================= Grid point 363 (200/294) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.501 ( 9.687 11.517 1.049) 15.086 4.934 ( -6.159 3.210 8.897) 11.287 5.370 ( -4.232 -4.710 -2.331) 6.748 5.863 ( -2.746 -3.196 0.082) 4.215 6.485 ( -0.546 13.099 -0.551) 13.122 6.816 ( -4.410 -11.250 3.290) 12.524 7.613 ( 1.645 -14.067 -3.331) 14.550 7.771 ( -3.117 -0.048 -3.323) 4.556 8.924 ( 0.730 2.853 3.108) 4.282 9.415 ( 2.793 -11.120 -2.286) 11.691 10.065 ( 6.254 -6.935 3.214) 9.876 10.672 ( 8.666 1.972 -5.846) 10.638 10.921 ( -6.062 3.106 -0.703) 6.847 11.291 ( 13.838 0.929 1.531) 13.953 11.432 ( -12.022 9.399 5.064) 16.078 12.076 ( -17.866 -4.630 -2.619) 18.641 12.537 ( 8.951 2.918 -2.308) 9.693 12.746 ( -2.193 5.081 0.924) 5.611 13.727 ( 9.138 -5.455 6.662) 12.556 14.621 ( -8.670 5.398 -7.672) 12.774 14.870 ( -0.249 -0.199 1.911) 1.938 16.020 ( 4.855 5.189 6.215) 9.441 16.987 ( -5.190 -9.862 0.849) 11.177 17.236 ( -2.340 -4.893 7.426) 9.196 17.805 ( -3.555 5.322 -14.361) 15.723 18.723 ( -4.261 5.485 13.837) 15.482 19.745 ( 9.231 -4.204 -12.239) 15.896 20.367 ( 2.767 4.605 -1.835) 5.677 20.777 ( 3.390 -2.476 3.646) 5.560 20.968 ( -4.478 -1.091 -1.049) 4.727 ======================= Grid point 364 (201/294) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.708 ( -4.113 14.388 -2.275) 15.137 4.804 ( -10.534 -4.488 5.175) 12.566 5.227 ( -3.868 -7.483 2.499) 8.786 5.777 ( -0.528 -9.202 4.707) 10.349 6.536 ( -5.108 -4.671 6.177) 9.277 6.698 ( 11.621 -10.361 -9.355) 18.164 7.656 ( 5.373 10.609 -5.905) 13.278 7.861 ( 7.914 10.774 4.817) 14.210 8.904 ( -3.238 -3.382 1.303) 4.860 9.316 ( -0.245 -7.925 -10.601) 13.238 10.074 ( -1.562 -3.796 1.054) 4.238 10.675 ( -12.932 8.910 -3.866) 16.173 10.866 ( -2.258 3.462 1.026) 4.259 11.404 ( -1.139 -0.877 8.399) 8.521 11.563 ( 16.939 -1.670 4.369) 17.573 11.766 ( -9.824 -4.856 -4.322) 11.780 12.699 ( 8.731 1.196 -1.567) 8.950 12.814 ( 1.418 7.921 0.457) 8.060 13.768 ( -2.375 -5.061 1.809) 5.876 14.536 ( -2.096 5.152 -2.578) 6.130 14.854 ( -2.497 0.130 1.901) 3.141 16.125 ( -1.180 -1.929 4.919) 5.414 16.763 ( -2.789 -7.620 -6.215) 10.220 17.144 ( -6.454 -11.170 6.423) 14.411 17.808 ( 0.901 6.790 -1.067) 6.932 18.767 ( -2.056 1.423 7.310) 7.725 19.816 ( 8.927 0.995 -9.013) 12.725 20.428 ( 0.644 3.703 -1.194) 3.943 20.858 ( 6.509 -0.475 -0.676) 6.561 20.886 ( -5.261 1.280 0.911) 5.490 ======================= Grid point 365 (202/294) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.470 ( -20.394 -3.853 4.501) 21.237 4.675 ( -18.015 8.042 3.339) 20.009 5.200 ( 5.722 -7.041 3.254) 9.638 5.737 ( 5.098 -10.555 3.061) 12.115 6.453 ( 0.939 -7.359 5.930) 9.497 6.800 ( 16.507 -9.936 -9.854) 21.640 7.858 ( 10.677 14.785 -13.292) 22.568 8.257 ( 9.491 23.535 12.569) 28.319 8.795 ( -4.462 -6.294 1.751) 7.911 9.050 ( -15.624 -5.186 -16.094) 23.022 9.981 ( -6.153 2.338 3.908) 7.655 10.537 ( -8.525 4.085 5.911) 11.149 10.898 ( -0.398 4.943 -0.477) 4.982 11.414 ( 0.119 -6.111 5.381) 8.143 11.586 ( -3.151 -4.433 -6.539) 8.505 11.856 ( 16.922 -3.942 4.106) 17.853 12.783 ( 2.198 -4.531 -0.674) 5.081 12.935 ( 3.914 9.140 -4.880) 11.076 13.621 ( -8.287 -1.024 -1.771) 8.536 14.601 ( 1.470 5.773 3.148) 6.738 14.831 ( -0.997 -1.117 2.760) 3.140 15.981 ( -9.633 -5.539 -1.045) 11.161 16.733 ( 3.904 -7.775 5.242) 10.157 16.928 ( -7.580 -6.681 -0.640) 10.125 17.890 ( 1.178 0.868 7.409) 7.552 18.768 ( 0.653 -2.350 -2.030) 3.173 19.958 ( 8.571 5.954 -3.812) 11.110 20.451 ( -0.867 3.051 -0.475) 3.207 20.805 ( -6.068 2.842 -2.242) 7.066 20.978 ( 7.848 -0.121 -1.388) 7.971 ======================= Grid point 370 (203/294) ======================= q-point: ( 0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.369 ( -18.337 16.137 14.277) 28.293 4.080 ( -12.993 11.007 27.679) 32.498 5.361 ( 7.544 -6.277 7.273) 12.215 5.495 ( -10.416 7.390 -5.610) 13.950 6.932 ( -5.897 1.767 -8.685) 10.646 7.420 ( 13.386 -0.704 -5.864) 14.631 7.938 ( 12.292 -0.859 4.077) 12.979 8.575 ( -4.026 7.208 -1.656) 8.421 8.994 ( 7.886 -8.600 -1.112) 11.721 9.466 ( 0.937 -17.650 9.396) 20.017 9.844 ( -3.490 -18.971 -6.833) 20.464 10.349 ( -7.166 4.781 2.983) 9.116 11.049 ( -0.423 1.846 0.918) 2.105 11.317 ( 9.377 12.191 1.306) 15.435 11.541 ( 2.402 -11.309 -9.841) 15.182 11.998 ( -3.891 3.056 9.784) 10.964 12.423 ( 11.057 7.741 -3.778) 14.017 12.913 ( -4.910 0.430 -4.687) 6.802 13.953 ( 2.733 4.145 -7.990) 9.407 14.376 ( -10.325 -5.227 6.513) 13.279 14.539 ( -4.594 8.680 1.912) 10.006 15.738 ( -7.379 16.413 1.326) 18.044 16.677 ( -0.356 -14.241 18.282) 23.177 17.262 ( 4.591 3.860 2.578) 6.528 17.984 ( 13.160 -8.138 -5.804) 16.526 18.457 ( -2.628 9.273 8.922) 13.134 19.849 ( -7.423 -9.929 -11.607) 16.983 20.440 ( -1.193 4.077 -5.406) 6.875 20.751 ( -2.621 -1.283 4.544) 5.401 21.369 ( 7.752 -1.836 -7.113) 10.680 ======================= Grid point 371 (204/294) ======================= q-point: ( 0.33 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( -4.733 25.063 16.453) 30.352 4.157 ( -9.767 11.593 24.651) 28.939 5.416 ( -6.155 11.736 -2.066) 13.413 5.490 ( 9.055 -5.987 6.512) 12.659 6.754 ( -9.850 3.137 -10.625) 14.824 7.452 ( -2.393 -0.228 -10.974) 11.234 8.196 ( 20.481 -11.567 3.923) 23.847 8.523 ( -6.887 4.013 -2.144) 8.255 8.932 ( 3.158 -16.080 -6.519) 17.636 9.439 ( 6.090 -18.278 18.294) 26.568 9.685 ( 4.508 -11.818 -0.955) 12.685 10.273 ( -7.785 0.934 1.960) 8.082 10.979 ( -8.731 -1.418 3.476) 9.504 11.455 ( -2.206 4.168 -3.174) 5.685 11.603 ( 12.280 7.516 -5.585) 15.442 11.980 ( -3.197 1.577 -0.431) 3.590 12.651 ( 6.637 -1.143 -2.659) 7.240 12.804 ( 0.088 5.475 -3.772) 6.650 13.981 ( -19.134 -11.602 5.970) 23.159 14.126 ( 6.873 12.744 -3.613) 14.923 14.679 ( 1.195 11.598 0.963) 11.699 15.819 ( -3.690 18.142 -1.004) 18.541 16.625 ( -1.276 -13.839 16.230) 21.367 17.379 ( 3.196 5.497 -0.698) 6.396 18.132 ( 15.312 -5.628 -3.904) 16.774 18.545 ( -6.190 10.026 11.137) 16.213 19.589 ( -2.801 -11.679 -9.014) 15.016 20.411 ( -2.728 3.605 -5.920) 7.449 20.723 ( -1.219 -3.490 5.273) 6.440 21.385 ( 3.323 -4.508 -7.942) 9.718 ======================= Grid point 372 (205/294) ======================= q-point: ( 0.42 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.785 ( 1.983 17.796 11.348) 21.199 4.309 ( -2.946 16.521 21.216) 27.050 5.479 ( 0.683 13.820 -3.677) 14.317 5.633 ( 6.458 -2.309 8.646) 11.035 6.577 ( -8.187 6.561 -9.296) 14.018 7.267 ( -8.473 -1.053 -12.307) 14.979 8.241 ( 4.408 -26.293 -2.487) 26.775 8.548 ( 5.420 4.132 2.213) 7.166 8.776 ( -1.067 -11.379 -4.201) 12.177 9.479 ( 6.250 -22.692 22.481) 32.548 9.703 ( 8.492 -9.374 1.357) 12.721 10.125 ( -9.504 -2.241 1.839) 9.936 10.836 ( -7.450 0.543 0.883) 7.521 11.469 ( 0.567 7.703 -8.040) 11.149 11.766 ( -2.310 8.609 -3.028) 9.414 11.967 ( 3.426 2.781 -4.240) 6.119 12.582 ( 0.733 -9.173 1.157) 9.275 13.006 ( 7.507 11.300 -3.984) 14.140 13.590 ( -17.391 -6.757 4.716) 19.244 14.380 ( 9.721 9.192 -4.909) 14.251 14.798 ( 0.660 8.085 4.641) 9.346 15.926 ( -4.308 18.511 -2.523) 19.172 16.593 ( 1.170 -9.406 13.493) 16.490 17.465 ( 1.657 5.445 -2.418) 6.184 18.295 ( 11.877 -6.728 -6.374) 15.065 18.571 ( -9.496 12.491 10.691) 18.987 19.444 ( 4.037 -12.054 -4.244) 13.402 20.348 ( -3.750 2.575 -5.783) 7.358 20.710 ( 0.127 -4.201 5.814) 7.174 21.309 ( -0.378 -6.062 -7.039) 9.297 ======================= Grid point 373 (206/294) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.970 ( 2.680 6.272 4.607) 8.231 4.626 ( 4.294 16.737 17.780) 24.792 5.608 ( 0.475 10.735 -8.006) 13.400 5.748 ( 2.860 4.888 4.204) 7.053 6.546 ( -2.041 11.112 0.515) 11.310 7.052 ( -6.891 -0.309 -10.852) 12.859 7.971 ( 0.124 -29.994 -4.951) 30.400 8.549 ( -5.176 -17.019 1.405) 17.844 8.669 ( -5.864 9.802 3.203) 11.863 9.509 ( 10.509 -24.778 19.514) 33.245 9.763 ( 5.439 -8.309 3.088) 10.400 9.980 ( -2.608 -2.553 -0.618) 3.701 10.812 ( 2.235 4.336 -0.741) 4.935 11.451 ( -4.288 1.123 -8.851) 9.899 11.729 ( -8.226 14.340 -3.832) 16.970 12.059 ( 6.220 -0.889 -2.046) 6.608 12.577 ( 5.425 -6.083 3.529) 8.882 13.106 ( -6.149 10.873 -5.346) 13.587 13.386 ( -3.411 -3.446 2.778) 5.589 14.528 ( 7.013 -0.738 -3.525) 7.884 14.929 ( 0.650 9.368 3.901) 10.168 15.986 ( -6.278 14.007 -0.204) 15.351 16.672 ( 6.310 -1.788 10.485) 12.367 17.499 ( -1.031 2.561 -2.375) 3.641 18.222 ( -4.301 -4.662 -14.801) 16.103 18.696 ( -0.080 11.870 13.455) 17.943 19.413 ( 7.521 -11.790 -2.978) 14.299 20.284 ( -2.397 2.365 -4.301) 5.462 20.712 ( 0.634 -4.176 5.823) 7.194 21.191 ( -2.132 -5.491 -4.787) 7.590 ======================= Grid point 374 (207/294) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.125 ( 8.561 3.965 1.908) 9.625 4.914 ( 4.769 7.242 11.734) 14.590 5.535 ( -5.815 -1.016 -9.429) 11.124 5.910 ( 1.155 15.395 -2.634) 15.661 6.659 ( -4.350 13.784 5.780) 15.566 6.915 ( -1.539 -4.354 -6.264) 7.782 7.641 ( -2.857 -23.064 -4.536) 23.679 8.205 ( -17.422 -12.283 6.595) 22.313 8.761 ( 4.479 5.821 3.708) 8.228 9.468 ( -3.013 -14.865 5.705) 16.205 9.810 ( 7.704 -9.042 11.003) 16.192 10.055 ( 17.089 -7.169 -4.621) 19.099 10.930 ( 6.232 1.199 -0.823) 6.399 11.290 ( -10.121 5.558 -4.252) 12.304 11.728 ( -6.174 12.651 -3.916) 14.611 12.129 ( 7.144 -4.965 -1.773) 8.878 12.646 ( 0.830 1.681 4.903) 5.249 12.993 ( -11.894 7.040 -8.698) 16.331 13.386 ( 4.474 -3.087 4.300) 6.930 14.600 ( 6.811 -6.067 0.109) 9.122 15.002 ( -3.590 8.834 -2.210) 9.789 16.005 ( -4.325 7.758 3.567) 9.571 16.871 ( 8.513 1.144 10.015) 13.194 17.431 ( -5.826 -2.584 -2.248) 6.758 17.981 ( -6.949 0.664 -20.988) 22.119 18.883 ( -2.481 9.644 16.791) 19.522 19.409 ( 9.166 -10.641 -7.749) 16.040 20.280 ( 1.063 3.239 -1.808) 3.859 20.719 ( 0.819 -3.917 5.338) 6.671 21.089 ( -2.516 -2.735 -2.130) 4.283 ======================= Grid point 375 (208/294) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.362 ( 13.991 2.723 1.472) 14.329 5.065 ( 1.661 1.660 5.711) 6.175 5.338 ( -5.853 -5.682 -9.951) 12.867 5.975 ( -7.091 8.913 -1.268) 11.460 6.675 ( -5.609 -10.727 -2.661) 12.394 6.747 ( -6.028 3.404 -4.246) 8.122 7.538 ( 3.514 2.938 8.138) 9.338 7.902 ( -13.234 -2.415 6.438) 14.914 8.909 ( 4.965 1.058 0.376) 5.090 9.298 ( -2.859 -10.242 0.455) 10.644 9.919 ( 6.848 -7.361 8.933) 13.449 10.293 ( 23.258 -10.234 -5.594) 26.019 10.979 ( 3.024 -2.833 0.513) 4.176 11.250 ( -4.061 12.433 -3.084) 13.438 11.703 ( -7.714 9.214 -1.393) 12.097 12.144 ( 0.495 -8.779 -0.947) 8.844 12.656 ( -10.444 12.286 0.500) 16.133 12.821 ( -3.747 2.038 -3.310) 5.399 13.526 ( 11.684 -4.808 6.052) 14.009 14.614 ( 1.792 -6.088 -2.410) 6.789 14.974 ( -5.131 6.043 -2.919) 8.448 16.056 ( 0.765 3.071 5.974) 6.760 16.979 ( -2.345 -8.723 4.605) 10.138 17.268 ( -4.715 -2.579 -2.217) 5.814 17.811 ( -2.236 6.918 -18.170) 19.570 18.957 ( -7.781 2.582 15.175) 17.248 19.460 ( 11.968 -3.531 -8.932) 15.346 20.350 ( 3.219 3.610 -0.006) 4.837 20.731 ( 1.544 -3.186 3.958) 5.311 21.030 ( -2.960 1.211 0.052) 3.199 ======================= Grid point 376 (209/294) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.631 ( 15.031 -1.268 0.959) 15.115 5.014 ( -12.197 -0.742 0.573) 12.233 5.177 ( 1.937 -7.769 -5.595) 9.767 5.843 ( -11.486 -0.711 0.141) 11.509 6.342 ( -0.569 -24.901 -5.287) 25.462 6.762 ( -7.077 15.838 -0.318) 17.350 7.715 ( -3.167 10.654 -0.428) 11.123 7.924 ( 7.791 14.447 16.233) 23.085 8.912 ( -1.828 -3.351 -1.640) 4.154 9.185 ( 0.036 -7.043 -5.617) 9.009 10.005 ( 5.173 -5.984 6.890) 10.490 10.519 ( 19.092 -10.420 -6.729) 22.767 11.067 ( 4.377 4.142 3.416) 6.927 11.256 ( -2.200 2.432 -5.913) 6.761 11.626 ( -9.238 3.869 3.578) 10.636 11.922 ( -13.524 -4.807 -2.233) 14.525 12.669 ( -0.257 10.340 -0.492) 10.355 12.859 ( 1.828 4.808 2.009) 5.523 13.692 ( 7.829 -5.175 4.560) 10.434 14.536 ( -0.690 -2.471 -5.141) 5.746 14.935 ( -3.541 1.832 0.343) 4.001 16.139 ( 1.908 -1.447 6.524) 6.949 16.720 ( -8.306 -11.278 -7.967) 16.114 17.178 ( -4.937 -4.760 0.874) 6.914 17.821 ( 2.742 6.916 -6.515) 9.889 18.882 ( -7.128 -3.728 6.433) 10.300 19.625 ( 11.255 3.881 -3.497) 12.409 20.434 ( 2.257 2.595 0.931) 3.563 20.764 ( 3.539 -1.672 1.053) 4.053 21.004 ( -4.336 4.602 1.348) 6.465 ======================= Grid point 377 (210/294) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.731 ( -7.886 -5.377 -3.459) 10.152 4.839 ( 2.670 -5.160 5.227) 7.815 5.078 ( -2.885 -9.038 -1.191) 9.562 5.655 ( -5.056 -3.154 -1.395) 6.120 6.210 ( 9.155 -12.967 -1.317) 15.927 6.782 ( -8.069 11.134 4.212) 14.381 7.789 ( 4.231 13.286 -10.330) 17.353 8.408 ( 11.101 23.969 17.304) 31.578 8.804 ( -4.061 -5.382 -0.718) 6.781 9.062 ( -3.149 -4.037 -11.625) 12.703 10.049 ( 0.899 -3.268 5.806) 6.723 10.634 ( 8.613 -8.002 -4.234) 12.495 11.059 ( -15.122 7.440 4.752) 17.510 11.235 ( 10.294 -13.067 -5.179) 17.422 11.581 ( -1.885 0.797 6.066) 6.402 11.718 ( -4.069 1.268 -4.071) 5.894 12.753 ( -0.198 3.448 0.134) 3.456 12.960 ( 1.746 7.322 -0.102) 7.528 13.702 ( -2.598 -2.147 -0.313) 3.385 14.562 ( 6.740 0.114 0.580) 6.766 14.876 ( -4.038 -1.626 0.251) 4.361 16.072 ( -7.993 -6.277 0.339) 10.169 16.574 ( 6.267 -7.170 -1.646) 9.664 17.017 ( -8.624 -3.381 -0.189) 9.265 17.899 ( 2.617 0.707 2.180) 3.479 18.749 ( -4.581 -5.828 -1.416) 7.547 19.854 ( 10.191 7.887 0.005) 12.886 20.480 ( 0.362 1.198 1.755) 2.155 20.820 ( 4.176 -0.002 -4.005) 5.786 20.983 ( -5.260 5.634 2.510) 8.107 ======================= Grid point 383 (211/294) ======================= q-point: ( 0.25 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.867 ( -13.808 14.568 8.575) 21.827 4.545 ( -12.277 9.631 21.193) 26.318 5.073 ( 15.314 -11.822 3.935) 19.742 5.818 ( -17.859 8.283 -0.242) 19.688 6.847 ( 16.307 -3.890 -3.840) 17.199 6.961 ( 12.592 -17.262 -2.177) 21.478 7.987 ( -4.898 14.457 -10.596) 18.581 8.692 ( 0.954 5.588 3.979) 6.926 8.840 ( -0.282 -3.392 -7.020) 7.802 9.342 ( -1.376 -16.583 4.838) 17.329 9.735 ( -4.038 -14.564 -1.002) 15.147 10.580 ( -4.126 8.470 -3.707) 10.124 10.835 ( 14.717 2.230 -2.713) 15.130 11.314 ( 4.248 -7.601 -8.830) 12.401 11.420 ( -2.975 8.413 6.610) 11.105 12.143 ( -4.609 -9.364 14.642) 17.981 12.343 ( 4.981 12.969 -2.547) 14.124 12.967 ( -3.058 2.844 -5.703) 7.068 13.859 ( 3.146 -0.206 -10.564) 11.025 14.481 ( 0.239 2.166 4.827) 5.296 14.700 ( -4.855 1.374 5.538) 7.492 16.038 ( -9.885 11.740 1.762) 15.448 16.677 ( -0.612 -14.781 22.168) 26.651 17.231 ( 6.140 2.404 4.763) 8.134 17.625 ( 11.505 -5.311 -12.356) 17.699 18.655 ( -0.806 9.642 12.944) 16.160 19.829 ( -9.803 -8.386 -14.193) 19.180 20.460 ( -0.186 3.898 -4.743) 6.142 20.837 ( -5.656 0.433 2.184) 6.078 21.166 ( 8.842 -2.339 -5.346) 10.594 ======================= Grid point 384 (212/294) ======================= q-point: ( 0.33 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.920 ( -9.074 22.541 11.470) 26.870 4.562 ( -10.727 8.268 19.727) 23.929 5.248 ( 13.622 -7.170 3.746) 15.843 5.671 ( -10.374 10.396 1.502) 14.763 6.779 ( -2.454 -6.255 -10.915) 12.817 7.183 ( 21.796 -14.748 -0.521) 26.321 7.953 ( -0.774 3.747 -10.793) 11.451 8.516 ( -8.144 -17.270 -13.567) 23.423 8.857 ( 2.057 6.138 0.214) 6.478 9.268 ( 5.163 -16.290 12.763) 21.328 9.635 ( -2.593 -2.170 8.696) 9.330 10.492 ( -12.969 6.246 1.528) 14.476 11.062 ( 0.889 -1.209 -0.139) 1.507 11.306 ( 16.798 2.187 -8.316) 18.871 11.532 ( 1.110 8.176 -2.595) 8.649 12.046 ( -4.526 -10.412 10.612) 15.540 12.519 ( 6.513 7.701 -5.310) 11.399 12.867 ( -5.533 1.309 -5.737) 8.077 13.947 ( 8.327 2.865 -5.263) 10.259 14.333 ( -13.625 -4.570 7.253) 16.097 14.776 ( 0.372 8.950 2.127) 9.206 16.029 ( -5.006 12.901 -0.880) 13.866 16.636 ( -2.074 -14.527 20.255) 25.012 17.384 ( 4.353 6.314 1.633) 7.841 17.752 ( 16.245 -3.795 -10.059) 19.480 18.815 ( -2.510 9.976 15.918) 18.953 19.506 ( -7.857 -9.557 -12.888) 17.865 20.454 ( -1.794 4.126 -5.366) 7.003 20.761 ( -3.776 -2.474 3.285) 5.583 21.218 ( 5.532 -4.510 -6.734) 9.813 ======================= Grid point 385 (213/294) ======================= q-point: ( 0.42 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.064 ( -7.214 16.921 8.832) 20.405 4.620 ( -4.530 10.510 16.470) 20.056 5.433 ( 10.667 -1.154 2.783) 11.084 5.693 ( -2.569 12.908 3.554) 13.633 6.614 ( -1.948 -4.187 -11.032) 11.960 7.260 ( 1.824 -5.577 -8.496) 10.325 7.960 ( 6.165 -8.589 -5.059) 11.721 8.151 ( 5.098 -24.989 -11.097) 27.813 8.919 ( -3.036 6.788 1.222) 7.535 9.297 ( 5.824 -16.927 14.418) 22.986 9.665 ( -1.958 0.924 13.465) 13.638 10.309 ( -13.242 0.809 1.906) 13.402 10.964 ( -7.388 -1.129 -0.755) 7.512 11.514 ( -1.675 6.408 -6.009) 8.943 11.680 ( 15.255 8.532 -6.529) 18.658 11.945 ( -1.130 -6.483 1.722) 6.802 12.557 ( -4.065 -1.534 -3.529) 5.597 12.889 ( 9.966 6.273 -4.447) 12.587 13.857 ( -14.831 -9.961 7.509) 19.379 14.313 ( 4.558 11.138 -5.174) 13.100 14.866 ( 1.505 4.377 3.545) 5.830 16.098 ( -1.275 12.586 -2.795) 12.956 16.594 ( -0.909 -10.899 17.235) 20.412 17.507 ( 1.089 9.376 -2.096) 9.669 17.938 ( 16.570 -5.261 -8.790) 19.481 18.926 ( -9.111 12.795 12.434) 20.033 19.263 ( 0.141 -11.967 -5.812) 13.304 20.409 ( -3.911 3.405 -5.642) 7.663 20.713 ( -1.281 -3.658 5.112) 6.415 21.190 ( 2.369 -5.751 -6.672) 9.121 ======================= Grid point 386 (214/294) ======================= q-point: ( 0.50 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.081 ( -6.353 5.437 4.320) 9.412 4.797 ( 1.476 9.539 11.149) 14.747 5.579 ( 4.949 -0.559 -1.787) 5.291 5.856 ( 0.947 18.907 2.325) 19.073 6.555 ( 4.895 -0.592 -4.668) 6.790 7.109 ( -6.511 -0.676 -11.233) 13.001 7.749 ( -4.699 -14.236 -5.657) 16.023 8.215 ( 20.431 -19.614 -0.856) 28.335 8.898 ( -7.262 4.050 2.889) 8.802 9.276 ( 2.593 -18.400 14.158) 23.361 9.726 ( -1.014 -1.750 13.916) 14.063 10.108 ( -11.803 -1.313 1.382) 11.956 10.825 ( -4.023 -0.683 -3.564) 5.418 11.491 ( -2.477 6.279 -7.532) 10.113 11.882 ( 0.853 2.500 -4.381) 5.116 11.958 ( 7.087 5.795 -3.026) 9.642 12.445 ( -1.044 -5.212 0.406) 5.331 13.128 ( 10.452 7.345 -5.546) 13.926 13.555 ( -15.477 -5.227 7.958) 18.171 14.420 ( 3.415 2.445 -5.566) 6.973 14.977 ( 3.735 4.667 2.202) 6.370 16.155 ( -2.433 5.944 -0.207) 6.426 16.636 ( 3.740 -2.450 12.114) 12.913 17.567 ( -2.450 8.504 -4.228) 9.808 18.038 ( 8.341 -6.845 -12.999) 16.894 18.923 ( -5.904 11.817 -0.087) 13.210 19.228 ( 3.304 -9.110 10.241) 14.099 20.335 ( -3.933 2.362 -4.217) 6.231 20.703 ( 0.004 -3.568 5.898) 6.893 21.124 ( 0.587 -4.749 -4.934) 6.873 ======================= Grid point 387 (215/294) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.075 ( 0.756 0.989 2.158) 2.491 4.933 ( 3.084 0.822 3.858) 5.007 5.530 ( -2.948 -3.890 -8.810) 10.072 6.085 ( -0.044 21.753 0.376) 21.756 6.658 ( 7.611 -8.350 0.271) 11.302 6.958 ( -5.535 7.225 -8.495) 12.450 7.552 ( -4.566 -4.735 -0.080) 6.579 8.300 ( 4.136 -9.910 5.902) 12.254 8.801 ( -5.991 -3.249 5.971) 9.061 9.273 ( 9.647 -16.554 9.322) 21.306 9.711 ( -3.490 -9.166 5.146) 11.076 9.942 ( -5.154 0.673 1.992) 5.567 10.815 ( 4.825 -1.420 -3.182) 5.952 11.458 ( -4.739 7.983 -3.716) 10.000 11.887 ( -0.391 7.228 -9.068) 11.603 12.045 ( -1.898 3.788 2.182) 4.765 12.489 ( 11.518 -6.131 1.700) 13.159 13.207 ( -6.881 7.150 -7.326) 12.335 13.393 ( -3.658 -1.718 6.430) 7.595 14.451 ( 4.615 -3.519 -1.258) 5.939 15.062 ( 1.176 3.826 -3.687) 5.442 16.133 ( -3.440 -1.412 4.126) 5.554 16.805 ( 7.551 2.370 8.463) 11.587 17.519 ( -6.901 2.268 -5.041) 8.842 17.933 ( -1.744 -1.093 -20.678) 20.780 19.025 ( 7.343 6.660 -2.348) 10.187 19.239 ( -3.764 -5.062 14.679) 15.977 20.295 ( -0.905 2.361 -1.668) 3.030 20.707 ( 0.197 -3.578 5.945) 6.942 21.077 ( 0.174 -1.191 -2.245) 2.548 ======================= Grid point 388 (216/294) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.164 ( 9.197 -2.853 1.410) 9.732 4.971 ( 5.085 -7.081 -2.790) 9.153 5.358 ( -6.145 -2.472 -9.510) 11.590 6.226 ( -6.371 16.297 0.688) 17.512 6.475 ( -5.223 -25.575 -6.113) 26.809 6.975 ( -4.689 17.808 -8.459) 20.265 7.598 ( 4.793 9.594 12.121) 16.184 8.218 ( -15.136 0.466 14.305) 20.831 8.796 ( 6.549 -3.794 1.876) 7.797 9.293 ( -1.350 -9.108 4.131) 10.092 9.627 ( 14.649 -20.998 1.173) 25.630 9.957 ( 2.930 1.688 -1.065) 3.545 10.850 ( 4.878 -5.743 -1.566) 7.696 11.474 ( -4.955 14.657 -1.505) 15.544 11.872 ( -4.562 7.769 -7.517) 11.733 12.063 ( 0.508 -0.677 3.945) 4.035 12.664 ( 12.426 -4.037 1.849) 13.196 13.035 ( -14.254 7.675 -7.626) 17.896 13.408 ( 2.045 -1.299 6.407) 6.850 14.495 ( 4.737 -4.671 0.162) 6.655 15.042 ( -2.077 1.104 -6.700) 7.101 16.093 ( -0.796 -4.588 6.094) 7.669 16.949 ( 1.407 -5.347 5.997) 8.157 17.330 ( -7.877 -0.386 -9.424) 12.289 17.796 ( -1.812 6.879 -19.864) 21.100 19.126 ( 0.801 -10.043 -0.727) 10.101 19.273 ( 1.938 9.939 11.972) 15.680 20.333 ( 2.491 2.572 0.631) 3.636 20.711 ( 0.351 -3.462 5.158) 6.222 21.083 ( -0.265 3.628 0.166) 3.642 ======================= Grid point 389 (217/294) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.310 ( 14.290 -11.043 -0.274) 18.062 4.948 ( 7.448 -12.242 -7.384) 16.120 5.180 ( -8.562 -0.443 -3.534) 9.273 6.002 ( -13.688 -18.548 -6.809) 24.036 6.250 ( -6.670 6.014 1.563) 9.116 7.027 ( -4.900 21.604 -9.825) 24.233 7.969 ( 2.579 18.606 14.353) 23.640 8.048 ( -7.436 1.455 16.830) 18.457 8.870 ( 2.956 -2.137 -1.730) 4.037 9.159 ( -6.092 -2.657 -1.449) 6.802 9.764 ( 22.691 -26.808 8.409) 36.114 10.041 ( 9.480 0.885 -9.632) 13.544 10.880 ( 7.510 -6.468 -1.537) 10.029 11.515 ( -8.646 16.590 -0.229) 18.709 11.795 ( -6.747 3.397 -3.863) 8.484 12.034 ( -5.841 -3.688 1.049) 6.987 12.798 ( 3.261 0.842 -4.899) 5.945 12.901 ( -4.799 10.178 3.764) 11.866 13.519 ( 8.385 -3.442 6.229) 10.998 14.489 ( 0.082 -2.890 -3.146) 4.273 14.968 ( -1.532 -2.641 -3.171) 4.402 16.102 ( 3.173 -5.794 6.285) 9.118 16.723 ( -11.683 -13.786 -7.435) 19.540 17.234 ( -3.530 2.978 -4.898) 6.732 17.779 ( 2.907 6.538 -11.698) 13.713 18.979 ( -6.911 -8.226 3.150) 11.196 19.514 ( 8.379 8.331 5.920) 13.216 20.416 ( 3.286 1.811 1.863) 4.189 20.717 ( 1.162 -2.732 3.127) 4.312 21.127 ( -1.995 7.561 1.312) 7.929 ======================= Grid point 390 (218/294) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.386 ( 14.852 -20.211 -4.878) 25.551 4.876 ( 4.592 -19.343 -4.736) 20.436 5.018 ( -9.455 -1.580 3.647) 10.257 5.678 ( -2.465 -5.488 -7.087) 9.296 6.199 ( -9.467 9.829 2.565) 13.886 7.098 ( -7.495 20.275 -2.392) 21.748 7.889 ( -8.542 6.861 2.234) 11.182 8.500 ( 14.192 14.693 15.501) 25.643 8.825 ( -2.575 -2.806 -0.692) 3.871 9.044 ( -5.118 3.048 -5.210) 7.914 9.924 ( 17.025 -24.175 14.418) 32.897 10.160 ( 14.484 -2.216 -17.343) 22.704 10.945 ( 8.329 -6.475 -3.305) 11.056 11.472 ( -15.389 11.409 3.696) 19.510 11.696 ( -5.054 1.647 2.000) 5.680 11.830 ( -10.631 -1.246 -4.978) 11.804 12.814 ( -0.831 3.296 -1.061) 3.560 13.021 ( 1.248 8.590 4.284) 9.680 13.640 ( 5.955 -3.918 1.584) 7.302 14.466 ( 3.004 0.208 -1.921) 3.572 14.893 ( -2.023 -6.082 -0.467) 6.426 16.111 ( -2.042 -7.162 3.191) 8.102 16.398 ( -0.668 -11.467 -7.505) 13.721 17.143 ( -7.305 2.973 -3.415) 8.594 17.837 ( 4.388 0.928 -4.758) 6.539 18.796 ( -7.870 -6.635 2.040) 10.494 19.779 ( 9.552 8.890 4.220) 13.715 20.483 ( 1.714 0.127 2.789) 3.276 20.738 ( 2.668 -1.634 -0.438) 3.159 21.160 ( -5.030 9.167 1.173) 10.522 ======================= Grid point 395 (219/294) ======================= q-point: ( 0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.151 ( 1.466 9.411 2.126) 9.759 4.705 ( 15.984 -8.081 7.444) 19.396 4.929 ( -8.795 5.196 13.888) 17.240 6.205 ( -9.962 3.553 3.927) 11.282 6.377 ( 7.426 -15.024 -0.948) 16.786 6.778 ( -0.064 -5.877 -0.050) 5.878 8.143 ( -4.084 15.538 -14.031) 21.330 8.714 ( 2.941 4.017 3.398) 6.027 8.817 ( -5.791 -3.460 -11.573) 13.396 9.271 ( -4.523 -11.883 1.994) 12.870 9.571 ( 14.320 -9.198 0.784) 17.037 10.272 ( 14.961 -1.961 -15.495) 21.628 10.863 ( 5.683 0.847 -0.024) 5.746 11.348 ( -15.460 7.423 1.754) 17.239 11.583 ( -3.264 4.472 8.293) 9.971 12.164 ( -4.649 -11.634 6.510) 14.119 12.429 ( 4.497 12.832 5.338) 14.607 13.020 ( -4.635 2.718 -4.601) 7.074 13.738 ( 2.284 -1.558 -10.125) 10.496 14.470 ( 4.033 0.230 1.353) 4.260 14.791 ( 0.172 2.688 5.772) 6.370 16.233 ( -0.753 3.776 -1.262) 4.052 16.643 ( 2.537 -17.730 22.057) 28.413 17.122 ( 6.995 -2.162 3.036) 7.926 17.479 ( -0.469 5.473 -4.571) 7.146 18.816 ( 0.286 7.628 11.288) 13.626 19.837 ( -9.939 -6.103 -15.102) 19.082 20.462 ( 1.001 3.667 -4.436) 5.842 20.907 ( 1.171 -3.305 -5.671) 6.668 21.047 ( -1.915 3.491 2.738) 4.832 ======================= Grid point 396 (220/294) ======================= q-point: ( 0.33 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.300 ( -3.268 19.308 5.034) 20.220 4.899 ( -8.880 2.209 13.065) 15.951 4.954 ( 15.295 -4.333 7.827) 17.720 5.984 ( -14.759 6.317 0.568) 16.064 6.512 ( 18.510 -25.371 3.208) 31.569 6.738 ( 6.307 -2.301 -4.247) 7.944 8.041 ( -10.800 7.051 -15.950) 20.513 8.444 ( -11.399 -11.453 -19.213) 25.104 8.853 ( 3.831 3.909 1.208) 5.605 9.127 ( 1.310 -13.592 8.593) 16.133 9.740 ( 0.792 3.223 12.830) 13.253 10.577 ( 21.683 6.730 -14.715) 27.055 10.975 ( 4.747 4.409 5.264) 8.348 11.152 ( -9.014 0.283 -2.107) 9.262 11.614 ( -2.715 4.951 2.149) 6.042 12.034 ( -2.462 -14.321 9.210) 17.204 12.568 ( -2.670 9.176 -0.136) 9.557 12.925 ( -4.608 1.242 -6.207) 7.830 13.793 ( 8.767 3.315 -7.025) 11.713 14.457 ( -3.142 -5.655 4.730) 8.014 14.869 ( -0.624 5.818 2.891) 6.527 16.217 ( -4.878 7.248 -2.328) 9.042 16.618 ( 0.676 -17.725 19.585) 26.424 17.264 ( 11.829 -5.250 3.405) 13.382 17.562 ( 3.307 11.491 -6.218) 13.477 18.970 ( 2.590 3.007 13.345) 13.923 19.530 ( -11.235 -2.135 -13.276) 17.523 20.481 ( -0.197 4.079 -4.699) 6.225 20.823 ( -3.818 -2.241 -1.338) 4.625 21.071 ( 2.533 -1.955 -2.330) 3.958 ======================= Grid point 397 (221/294) ======================= q-point: ( 0.42 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.423 ( -9.403 16.445 5.415) 19.702 4.853 ( -5.758 2.701 9.993) 11.845 5.221 ( 14.602 -2.431 6.241) 16.065 5.901 ( -4.305 9.732 0.139) 10.643 6.472 ( 2.354 -12.538 -1.070) 12.802 6.918 ( 20.221 -10.612 -3.857) 23.159 7.779 ( -5.313 -10.554 -11.136) 16.236 8.060 ( -13.358 0.237 -16.760) 21.433 8.941 ( 3.176 -0.172 1.686) 3.600 9.137 ( 5.674 -11.552 11.294) 17.123 9.834 ( -2.831 3.995 13.312) 14.184 10.611 ( -15.050 5.436 -1.169) 16.044 11.028 ( -2.387 0.901 -3.758) 4.542 11.368 ( 23.465 9.035 -3.323) 25.363 11.603 ( -2.926 3.710 -3.475) 5.866 11.887 ( -2.328 -16.320 7.542) 18.129 12.592 ( -0.745 7.072 -5.479) 8.977 12.835 ( -2.244 1.531 -3.780) 4.655 13.894 ( 2.330 -5.418 0.332) 5.907 14.401 ( -3.324 4.994 2.039) 6.336 14.895 ( -0.872 1.723 0.713) 2.059 16.210 ( -2.603 7.154 -3.066) 8.207 16.587 ( 0.881 -12.204 16.301) 20.382 17.441 ( 13.596 -7.559 2.692) 15.787 17.698 ( 3.532 13.232 -9.853) 16.871 19.084 ( 4.117 -9.827 6.440) 12.450 19.300 ( -12.189 11.169 -1.688) 16.618 20.468 ( -2.588 3.744 -5.358) 7.030 20.746 ( -2.872 -2.505 3.222) 4.990 21.059 ( 2.380 -4.128 -4.670) 6.671 ======================= Grid point 398 (222/294) ======================= q-point: ( 0.50 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.334 ( -14.320 4.388 4.055) 15.517 4.886 ( -0.098 1.756 3.637) 4.040 5.433 ( 9.479 -2.948 0.724) 9.953 6.016 ( 4.030 12.356 -0.958) 13.032 6.424 ( 2.116 -0.708 -0.541) 2.296 7.045 ( 7.051 -5.932 -7.648) 11.975 7.644 ( 10.327 -15.203 -2.553) 18.555 7.831 ( -6.271 4.160 -7.052) 10.313 8.970 ( 0.367 -3.048 2.871) 4.203 9.174 ( 2.486 -11.704 11.195) 16.386 9.870 ( -5.160 -0.922 13.345) 14.337 10.365 ( -16.657 2.639 1.639) 16.945 10.895 ( -8.718 -2.460 -5.739) 10.724 11.554 ( -1.753 5.925 -5.200) 8.076 11.740 ( 9.475 -4.436 -1.172) 10.528 11.844 ( 9.752 4.627 -3.266) 11.277 12.549 ( -8.374 3.886 -0.734) 9.261 12.932 ( 12.775 3.961 -4.690) 14.173 13.759 ( -9.352 -9.987 7.552) 15.628 14.418 ( -2.710 6.238 -5.071) 8.484 14.936 ( 4.334 1.178 -0.373) 4.507 16.203 ( -1.211 -1.195 -0.051) 1.702 16.633 ( 2.925 -1.270 10.613) 11.081 17.570 ( 9.182 -9.335 0.372) 13.099 17.800 ( 2.969 11.162 -14.639) 18.647 18.968 ( -1.655 -6.376 -8.706) 10.917 19.358 ( -4.548 10.080 17.826) 20.978 20.404 ( -4.383 2.237 -4.409) 6.607 20.720 ( -1.212 -2.251 5.932) 6.459 21.029 ( 2.209 -3.175 -4.536) 5.961 ======================= Grid point 399 (223/294) ======================= q-point: (-0.42 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.157 ( -9.144 -1.754 2.311) 9.593 4.875 ( 0.956 -6.847 -2.446) 7.333 5.456 ( 0.868 -3.861 -8.139) 9.051 6.187 ( 7.242 2.059 -2.803) 8.034 6.532 ( 2.372 8.770 2.657) 9.466 7.029 ( -0.795 7.862 -7.298) 10.756 7.655 ( -3.663 6.057 -0.241) 7.082 7.948 ( 21.821 -9.852 6.052) 24.695 8.922 ( -5.210 -5.136 7.018) 10.138 9.102 ( -1.152 -15.967 7.705) 17.766 9.774 ( -8.455 -6.998 5.372) 12.220 10.147 ( -13.579 1.611 4.492) 14.393 10.741 ( -1.397 -0.774 -5.305) 5.540 11.561 ( -1.603 5.953 -1.662) 6.386 11.798 ( 6.928 -0.888 -5.986) 9.199 12.076 ( 9.535 6.825 -3.520) 12.243 12.434 ( -8.961 3.005 2.753) 9.844 13.164 ( 10.914 4.351 -6.801) 13.576 13.554 ( -10.271 -6.090 9.080) 15.001 14.379 ( -0.771 0.230 -3.856) 3.939 15.010 ( 3.853 0.726 -5.294) 6.587 16.144 ( -1.301 -8.334 3.696) 9.209 16.775 ( 5.205 4.242 6.440) 9.304 17.540 ( 0.905 -11.509 -6.034) 13.026 17.829 ( 0.110 9.522 -17.449) 19.878 18.894 ( 3.494 -1.587 -6.613) 7.646 19.475 ( -5.759 7.282 19.586) 21.676 20.335 ( -2.879 1.447 -2.082) 3.836 20.717 ( -0.778 -3.008 6.337) 7.058 21.036 ( 2.662 0.981 -2.302) 3.654 ======================= Grid point 400 (224/294) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.041 ( -0.327 -7.690 0.564) 7.718 4.765 ( 2.840 -14.951 -7.516) 16.973 5.353 ( -2.534 -1.000 -9.769) 10.142 6.210 ( 2.509 -12.150 -3.732) 12.955 6.593 ( -9.128 11.871 1.882) 15.093 7.123 ( 0.346 19.130 -9.492) 21.358 7.708 ( 0.226 9.150 8.861) 12.739 8.323 ( 19.973 -0.372 10.667) 22.646 8.780 ( -10.527 -8.159 13.400) 18.893 8.995 ( 8.773 -19.894 -0.655) 21.752 9.549 ( -11.462 -3.537 -2.713) 12.298 10.020 ( -6.351 0.477 4.772) 7.958 10.724 ( 2.414 -3.576 -2.105) 4.801 11.628 ( 0.879 10.451 0.475) 10.498 11.862 ( 3.919 3.242 -9.274) 10.577 12.211 ( -3.875 6.648 3.100) 8.296 12.399 ( 7.205 -3.610 0.502) 8.075 13.210 ( -4.345 2.915 -7.456) 9.109 13.461 ( -2.883 -0.970 8.417) 8.949 14.385 ( 3.732 -1.231 -1.002) 4.055 14.997 ( 0.684 -2.331 -8.655) 8.989 16.059 ( -0.357 -10.790 5.269) 12.013 16.916 ( 2.418 -1.310 5.289) 5.961 17.333 ( -3.511 -8.090 -15.029) 17.425 17.791 ( -2.463 9.061 -16.395) 18.894 18.947 ( 6.688 -1.779 -3.316) 7.674 19.537 ( -7.781 6.594 17.967) 20.660 20.327 ( 0.862 1.594 0.274) 1.833 20.710 ( -0.383 -3.710 5.638) 6.760 21.110 ( 2.605 5.940 0.260) 6.491 ======================= Grid point 401 (225/294) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.978 ( 6.969 -17.464 -2.586) 18.980 4.624 ( 6.812 -19.197 -8.970) 22.257 5.248 ( -3.838 0.240 -6.215) 7.308 5.975 ( -9.845 -16.594 -2.119) 19.411 6.556 ( -10.883 16.373 1.047) 19.688 7.232 ( -3.124 23.804 -14.139) 27.863 7.972 ( 13.739 2.551 14.261) 19.966 8.491 ( -18.841 5.947 17.135) 26.152 8.752 ( 9.777 -1.246 3.328) 10.403 9.035 ( 22.819 -25.199 -0.383) 33.998 9.341 ( -10.517 3.640 -2.304) 11.365 9.985 ( -0.077 0.022 1.258) 1.260 10.714 ( 3.695 -5.719 -1.229) 6.919 11.764 ( -1.441 14.694 0.108) 14.765 11.859 ( -1.028 1.999 -7.808) 8.125 12.140 ( -9.374 -0.533 4.502) 10.413 12.569 ( 14.957 -3.245 -3.427) 15.684 13.103 ( -6.319 5.057 -2.142) 8.372 13.484 ( -0.147 0.013 7.876) 7.878 14.434 ( 2.627 -0.517 -1.663) 3.152 14.909 ( -0.096 -5.493 -6.085) 8.198 16.004 ( 2.670 -10.273 4.754) 11.631 16.740 ( -11.589 -14.897 -6.645) 20.009 17.241 ( 2.658 3.385 -10.116) 10.993 17.746 ( -1.016 6.917 -12.644) 14.448 18.983 ( 0.248 -3.319 0.453) 3.359 19.604 ( -2.373 7.252 13.755) 15.730 20.387 ( 3.181 1.388 1.798) 3.909 20.701 ( -0.006 -3.605 4.172) 5.514 21.226 ( 1.134 9.502 1.256) 9.652 ======================= Grid point 402 (226/294) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.893 ( 12.050 -25.949 -6.471) 29.333 4.496 ( 8.243 -27.343 -5.061) 29.003 5.151 ( -5.341 0.596 -1.597) 5.606 5.678 ( -7.699 -5.266 -0.244) 9.331 6.549 ( -11.592 19.008 -0.385) 22.267 7.346 ( -1.677 25.528 -12.649) 28.540 8.134 ( -4.742 -14.930 13.696) 20.809 8.466 ( 3.001 12.950 8.870) 15.981 8.803 ( -0.697 -3.522 -4.270) 5.578 9.192 ( 10.467 -12.841 4.493) 17.165 9.305 ( 6.873 3.051 -0.023) 7.520 10.046 ( 4.501 3.184 0.550) 5.541 10.744 ( 7.375 -4.857 -1.608) 8.976 11.755 ( -5.169 0.697 -3.664) 6.374 11.841 ( -10.721 7.711 1.127) 13.254 11.954 ( -7.649 -0.357 -2.339) 8.006 12.740 ( 9.511 -1.062 -4.086) 10.406 13.121 ( 0.219 5.984 4.615) 7.560 13.542 ( 2.498 -1.132 4.698) 5.440 14.436 ( 0.597 0.629 -1.944) 2.129 14.835 ( 0.061 -6.804 -0.783) 6.849 16.012 ( 6.063 -8.903 3.820) 11.428 16.323 ( -11.390 -14.201 -11.848) 21.720 17.235 ( -2.047 3.168 -6.643) 7.639 17.747 ( 2.437 2.884 -8.053) 8.894 18.899 ( -7.182 -3.145 4.384) 8.983 19.773 ( 5.013 8.150 8.486) 12.789 20.461 ( 2.786 0.102 2.685) 3.871 20.692 ( 0.697 -2.947 1.489) 3.374 21.326 ( -2.181 10.774 0.557) 11.006 ======================= Grid point 407 (227/294) ======================= q-point: ( 0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.935 ( 23.175 -6.275 1.750) 24.074 4.462 ( 18.318 -1.163 8.336) 20.159 5.133 ( -4.064 1.443 6.512) 7.810 5.962 ( 6.183 -14.325 -0.139) 15.603 6.582 ( -17.734 -3.513 -1.961) 18.185 6.993 ( -19.561 7.977 11.824) 24.209 8.180 ( 12.293 11.184 -8.267) 18.562 8.716 ( 3.251 0.989 3.558) 4.920 8.806 ( -9.115 -8.771 -13.345) 18.388 9.060 ( 26.152 3.396 -2.563) 26.496 9.366 ( -11.965 -4.302 -6.005) 14.062 10.068 ( 1.487 -2.224 -8.218) 8.642 10.714 ( 7.635 -1.325 -0.924) 7.804 11.689 ( -2.730 3.620 7.493) 8.758 11.767 ( -14.418 7.933 2.879) 16.706 12.155 ( -4.227 -14.070 4.600) 15.394 12.473 ( 7.442 12.344 5.032) 15.267 13.115 ( -4.893 2.323 -2.780) 6.088 13.639 ( 0.533 -1.937 -8.638) 8.869 14.409 ( 2.921 0.709 0.610) 3.067 14.816 ( 3.089 1.907 3.917) 5.341 16.094 ( 11.995 -3.222 -4.858) 13.336 16.509 ( 5.901 -19.130 17.517) 26.601 17.105 ( 0.568 4.257 5.207) 6.749 17.591 ( -5.248 3.920 4.372) 7.876 18.933 ( -1.266 4.163 5.683) 7.158 19.858 ( -8.393 -3.166 -14.119) 16.728 20.446 ( 1.746 3.390 -4.192) 5.667 20.771 ( 4.499 -3.354 -3.513) 6.621 21.226 ( -8.904 5.854 1.419) 10.750 ======================= Grid point 408 (228/294) ======================= q-point: ( 0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.300 ( 19.885 3.852 0.672) 20.266 4.772 ( 10.776 2.761 10.472) 15.278 5.107 ( -4.549 -0.276 5.331) 7.013 5.940 ( 12.272 -23.549 0.729) 26.565 6.271 ( -12.207 -0.975 -0.938) 12.282 6.850 ( -14.426 7.197 8.631) 18.287 8.226 ( -17.000 0.225 -14.960) 22.646 8.387 ( -0.781 -0.947 -16.723) 16.768 8.840 ( 2.513 1.735 0.928) 3.192 9.101 ( -7.764 -7.766 2.668) 11.301 9.718 ( 27.372 9.220 13.097) 31.714 10.092 ( 14.043 1.380 -13.707) 19.672 10.863 ( 9.577 1.505 0.323) 9.699 11.509 ( -20.517 4.935 0.117) 21.103 11.716 ( -3.550 0.269 4.620) 5.833 11.996 ( -3.159 -13.079 6.074) 14.763 12.696 ( 0.615 7.680 4.516) 8.930 13.002 ( -7.145 3.020 -5.918) 9.756 13.644 ( 6.622 1.958 -7.005) 9.837 14.439 ( 1.100 -2.480 1.835) 3.275 14.912 ( 2.691 1.484 2.976) 4.278 16.214 ( 7.145 0.135 -5.765) 9.182 16.505 ( 4.279 -18.078 15.491) 24.189 17.147 ( -0.430 -1.186 4.898) 5.058 17.640 ( 0.309 9.033 3.591) 9.725 18.970 ( 1.708 -4.416 3.942) 6.161 19.651 ( -8.254 5.187 -9.167) 13.381 20.481 ( 1.291 3.551 -4.491) 5.869 20.775 ( 2.572 -3.151 -3.571) 5.413 21.132 ( -7.912 2.588 0.940) 8.378 ======================= Grid point 409 (229/294) ======================= q-point: ( 0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.634 ( 8.378 10.453 0.525) 13.407 4.952 ( -0.435 -3.997 7.186) 8.235 5.076 ( 2.504 1.074 5.242) 5.907 5.874 ( 4.393 -13.713 -3.529) 14.825 6.252 ( 12.807 -8.030 5.188) 15.982 6.739 ( -9.573 4.700 1.607) 10.785 7.789 ( -13.284 -9.794 -9.067) 18.830 8.264 ( -13.178 14.982 -19.236) 27.716 8.881 ( 2.777 -2.698 1.586) 4.184 9.035 ( 2.864 -7.239 9.869) 12.570 9.983 ( -2.052 4.539 9.530) 10.754 10.552 ( 27.324 7.066 -10.275) 30.035 11.092 ( 15.506 4.270 4.178) 16.617 11.194 ( -18.384 1.806 -2.494) 18.640 11.667 ( -3.399 -0.118 -0.896) 3.517 11.831 ( -5.052 -15.988 7.635) 18.424 12.691 ( -5.878 6.032 -2.594) 8.813 12.903 ( -5.110 2.638 -2.991) 6.482 13.765 ( 7.114 -0.743 -2.936) 7.732 14.460 ( 1.436 1.772 2.749) 3.572 14.936 ( -1.682 -0.773 0.334) 1.881 16.241 ( 0.783 -2.487 -3.681) 4.511 16.529 ( 4.512 -7.907 11.397) 14.586 17.172 ( 6.499 -7.190 1.545) 9.814 17.770 ( 1.197 10.884 -0.301) 10.954 18.940 ( 2.417 -11.221 0.357) 11.484 19.584 ( -7.093 12.897 0.175) 14.720 20.494 ( -0.337 2.863 -4.957) 5.735 20.766 ( 0.415 -1.114 0.261) 1.217 21.028 ( -4.919 -1.033 -1.040) 5.133 ======================= Grid point 410 (230/294) ======================= q-point: (-0.50 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.650 ( -14.641 1.028 3.657) 15.126 4.881 ( -1.409 -4.645 -2.672) 5.540 5.234 ( 10.922 -2.540 1.593) 11.326 5.872 ( 9.819 -5.951 -5.737) 12.835 6.510 ( 8.212 6.683 10.260) 14.744 6.665 ( 9.349 -7.961 -7.080) 14.174 7.552 ( -6.583 0.020 2.637) 7.092 8.062 ( -14.550 15.229 -13.775) 25.167 8.906 ( 3.389 -5.045 1.846) 6.352 9.097 ( 3.267 -7.710 11.450) 14.185 10.008 ( -4.194 -0.588 8.173) 9.205 10.653 ( -11.710 0.161 -1.964) 11.874 10.961 ( -6.443 -1.670 -7.504) 10.030 11.481 ( 13.334 2.059 -1.595) 13.586 11.657 ( -1.225 2.752 0.533) 3.059 11.671 ( 7.875 -4.544 0.824) 9.129 12.689 ( -0.490 7.406 -1.144) 7.510 12.836 ( -2.849 1.994 -1.515) 3.793 13.764 ( -0.723 -8.943 2.185) 9.234 14.526 ( -2.187 6.450 -1.287) 6.931 14.886 ( -0.101 -1.325 -1.507) 2.009 16.174 ( -0.564 -8.149 0.226) 8.171 16.634 ( 4.266 2.609 6.241) 7.997 17.229 ( 11.293 -12.887 -2.845) 17.370 17.861 ( -0.512 10.150 -6.110) 11.858 18.860 ( 1.054 -8.483 -2.402) 8.879 19.644 ( -4.854 13.065 8.952) 16.564 20.460 ( -2.856 1.513 -4.209) 5.307 20.771 ( -1.830 -0.096 5.530) 5.826 20.956 ( 0.217 -1.279 -3.575) 3.803 ======================= Grid point 411 (231/294) ======================= q-point: (-0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.356 ( -16.610 -6.157 1.567) 17.783 4.738 ( -0.996 -14.748 -6.868) 16.300 5.340 ( 4.666 -1.098 -6.348) 7.955 5.972 ( 10.354 -3.637 -5.053) 12.081 6.591 ( 2.943 2.240 -1.698) 4.069 7.000 ( 18.535 10.655 3.704) 21.698 7.590 ( 3.516 5.657 9.789) 11.840 7.935 ( -9.767 12.770 -5.618) 17.030 8.914 ( 2.108 -4.413 -1.395) 5.086 9.057 ( -4.135 -18.240 15.375) 24.211 9.895 ( -9.262 -5.689 3.532) 11.429 10.406 ( -12.881 0.057 -0.780) 12.904 10.793 ( -7.239 0.487 -3.514) 8.061 11.590 ( 6.636 -6.924 -0.559) 9.607 11.611 ( 2.391 3.761 -2.252) 4.993 11.964 ( 10.105 10.160 -5.437) 15.326 12.692 ( -10.256 7.574 4.018) 13.368 12.939 ( 13.655 2.698 -3.441) 14.338 13.641 ( -4.299 -10.478 5.749) 12.701 14.458 ( -7.875 3.999 -3.333) 9.440 14.907 ( 3.896 -0.519 -5.435) 6.707 16.078 ( -0.463 -11.358 2.509) 11.641 16.782 ( 4.199 6.243 3.601) 8.341 17.230 ( 9.376 -17.593 -8.126) 21.527 17.877 ( -2.064 8.431 -10.703) 13.781 18.811 ( 1.497 -1.649 -2.740) 3.531 19.755 ( -4.366 10.271 13.933) 17.852 20.391 ( -3.828 0.692 -1.953) 4.353 20.750 ( -2.426 -3.119 5.345) 6.647 20.991 ( 3.825 3.984 -1.293) 5.672 ======================= Grid point 412 (232/294) ======================= q-point: (-0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.033 ( -10.606 -12.797 -1.544) 16.693 4.498 ( 0.836 -22.232 -10.197) 24.473 5.319 ( -0.313 0.902 -8.954) 9.005 6.047 ( 4.867 -4.407 -3.096) 7.259 6.705 ( 6.942 3.157 -0.085) 7.627 7.328 ( -2.151 26.610 -3.892) 26.979 7.873 ( -7.115 4.564 2.558) 8.831 7.942 ( 23.715 0.392 14.248) 27.669 8.757 ( -2.570 -19.183 -3.476) 19.664 8.943 ( -3.682 -6.372 14.614) 16.362 9.710 ( -9.375 1.233 -2.125) 9.692 10.209 ( -11.917 -0.498 3.104) 12.325 10.708 ( -3.492 0.599 0.130) 3.545 11.649 ( 6.933 -0.617 1.682) 7.160 11.716 ( 6.521 2.655 -6.493) 9.577 12.141 ( 7.025 6.382 -4.692) 10.587 12.577 ( -12.941 3.898 4.009) 14.098 13.150 ( 7.762 2.177 -4.827) 9.396 13.534 ( -2.123 -6.225 7.947) 10.316 14.377 ( -3.230 4.218 -2.299) 5.789 14.892 ( 1.526 -3.392 -8.549) 9.324 15.975 ( -0.142 -12.405 3.680) 12.940 16.914 ( 1.510 1.644 4.348) 4.888 17.097 ( 5.075 -15.671 -16.611) 23.394 17.839 ( -2.791 6.953 -12.088) 14.221 18.852 ( 3.836 2.848 -1.627) 5.047 19.840 ( -7.036 7.450 15.800) 18.833 20.342 ( -1.462 0.782 -0.056) 1.659 20.713 ( -0.855 -4.162 3.994) 5.832 21.121 ( 4.277 7.805 1.499) 9.026 ======================= Grid point 413 (233/294) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.727 ( -3.350 -22.333 -5.589) 23.264 4.246 ( 4.993 -25.888 -10.229) 28.280 5.264 ( -1.843 1.911 -6.728) 7.233 5.980 ( -4.880 -8.410 0.206) 9.725 6.833 ( -1.234 11.742 0.682) 11.826 7.471 ( -5.856 28.323 -11.723) 31.208 7.754 ( 4.858 -22.011 4.714) 23.029 8.476 ( 22.212 2.611 14.068) 26.422 8.645 ( 7.143 -5.260 -5.082) 10.223 8.904 ( -9.759 2.767 15.109) 18.198 9.584 ( -9.566 8.362 -1.133) 12.756 10.043 ( -7.640 -2.759 3.943) 9.030 10.654 ( -2.170 -2.599 0.504) 3.422 11.740 ( 7.089 -5.299 -9.205) 12.770 11.859 ( 5.476 11.149 2.472) 12.664 12.309 ( 9.443 4.239 -2.064) 10.555 12.375 ( -13.562 -2.829 1.142) 13.901 13.162 ( -1.040 -1.315 -2.878) 3.331 13.549 ( 0.004 -0.318 8.131) 8.137 14.398 ( 1.061 4.143 -2.714) 5.065 14.814 ( 0.485 -4.746 -5.761) 7.480 15.888 ( 1.200 -11.323 3.236) 11.838 16.716 ( -8.578 -17.676 -9.482) 21.816 17.101 ( 7.707 2.242 -9.206) 12.214 17.782 ( -2.951 5.713 -10.280) 12.125 18.948 ( 3.476 3.620 -0.251) 5.024 19.858 ( -8.616 5.581 15.406) 18.513 20.364 ( 2.033 1.208 1.376) 2.736 20.689 ( -0.035 -4.134 3.239) 5.251 21.289 ( 3.628 10.060 1.835) 10.851 ======================= Grid point 414 (234/294) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.430 ( 4.511 -30.169 -8.468) 31.658 4.034 ( 8.207 -31.875 -6.208) 33.495 5.214 ( -2.926 2.195 -3.331) 4.947 5.769 ( -7.777 -9.791 3.327) 12.939 6.907 ( -7.964 19.746 -1.317) 21.333 7.527 ( -2.393 16.201 -12.777) 20.772 7.769 ( 16.312 -19.201 1.304) 25.229 8.656 ( 4.679 -4.395 -4.678) 7.943 8.842 ( -3.741 3.491 7.206) 8.838 8.886 ( 0.092 6.593 12.737) 14.342 9.580 ( -6.693 16.329 6.152) 18.689 9.998 ( 3.596 -1.413 4.438) 5.884 10.608 ( 1.626 -3.946 -1.563) 4.545 11.716 ( 3.358 -5.427 -7.754) 10.043 12.059 ( -9.428 0.827 -2.823) 9.876 12.065 ( -4.469 3.037 1.839) 5.708 12.514 ( 11.661 1.875 -2.986) 12.182 13.142 ( 1.994 -1.885 1.565) 3.159 13.582 ( -1.872 0.433 6.430) 6.711 14.413 ( 1.085 0.019 -2.658) 2.871 14.787 ( 0.411 -0.668 0.848) 1.155 15.840 ( 4.061 -10.181 1.303) 11.038 16.309 ( -11.236 -14.723 -12.824) 22.527 17.174 ( 4.783 0.476 -7.847) 9.202 17.737 ( -1.660 4.310 -6.811) 8.230 19.001 ( -2.114 2.511 2.420) 4.078 19.890 ( -3.318 6.067 12.539) 14.319 20.430 ( 2.952 0.597 2.284) 3.780 20.666 ( 0.007 -3.774 1.812) 4.187 21.441 ( 1.185 10.747 0.152) 10.813 ======================= Grid point 480 (235/294) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -0.000 0.000 37.208) 37.208 2.197 ( -0.000 0.000 37.208) 37.208 3.911 ( -0.000 0.000 61.356) 61.356 5.860 ( -0.000 0.000 0.035) 0.035 7.154 ( 0.000 -0.000 -27.679) 27.679 7.154 ( 0.000 -0.000 -27.679) 27.679 8.308 ( 0.000 -0.000 -16.595) 16.595 9.598 ( -0.000 0.000 7.277) 7.277 9.598 ( -0.000 0.000 7.277) 7.277 10.177 ( -0.000 0.000 13.665) 13.665 10.177 ( -0.000 0.000 13.665) 13.665 10.549 ( 0.000 0.000 3.771) 3.771 10.549 ( 0.000 0.000 3.771) 3.771 11.339 ( 0.000 0.000 3.617) 3.617 11.339 ( -0.000 0.000 3.617) 3.617 11.630 ( 0.000 -0.000 -3.070) 3.070 12.288 ( 0.000 -0.000 -11.325) 11.325 13.231 ( 0.000 -0.000 -0.125) 0.125 13.650 ( 0.000 0.000 -0.567) 0.567 13.650 ( 0.000 -0.000 -0.567) 0.567 14.586 ( 0.000 -0.000 -8.450) 8.450 14.586 ( 0.000 -0.000 -8.450) 8.450 17.373 ( -0.000 0.000 13.103) 13.103 17.373 ( -0.000 0.000 13.103) 13.103 17.410 ( 0.000 -0.000 -1.575) 1.575 18.731 ( -0.000 0.000 0.860) 0.860 20.320 ( 0.000 -0.000 -6.842) 6.842 20.320 ( 0.000 -0.000 -6.842) 6.842 20.719 ( -0.000 0.000 6.930) 6.930 21.583 ( 0.000 -0.000 -4.080) 4.080 ======================= Grid point 481 (236/294) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 0.781 11.773 33.360) 35.385 2.824 ( 25.512 9.253 32.205) 42.115 4.366 ( 10.185 3.913 50.046) 51.222 5.823 ( -3.551 -1.455 1.097) 3.992 6.840 ( -4.449 -1.902 -22.690) 23.200 7.153 ( 7.305 0.619 -25.877) 26.896 8.205 ( 0.449 -0.689 -14.280) 14.303 9.390 ( -16.016 -9.876 6.975) 20.067 9.700 ( -6.338 -1.312 5.733) 8.646 9.956 ( -12.700 -5.720 18.338) 23.028 10.338 ( -1.869 -1.345 -0.137) 2.307 10.425 ( 1.984 4.134 1.567) 4.846 10.834 ( -4.754 -15.242 11.127) 19.460 11.036 ( 1.962 12.070 9.234) 15.323 11.527 ( 0.748 9.420 -0.630) 9.470 11.809 ( 17.069 -2.587 -10.280) 20.093 12.233 ( -1.599 -1.491 -7.421) 7.736 13.132 ( -6.356 -2.811 0.703) 6.985 13.675 ( 6.630 -2.480 -1.686) 7.277 13.848 ( 11.333 10.473 1.945) 15.553 14.420 ( -5.779 5.199 -9.790) 12.501 14.790 ( 16.619 3.273 -8.508) 18.955 17.210 ( -8.863 -6.592 4.385) 11.884 17.378 ( -6.658 1.724 13.247) 14.926 17.682 ( 12.554 3.347 8.311) 15.424 18.699 ( -3.948 -1.755 -1.000) 4.435 20.209 ( -6.941 2.397 -7.076) 10.198 20.300 ( 2.878 -2.732 -6.998) 8.045 20.754 ( -0.693 -0.275 6.932) 6.972 21.554 ( 0.131 -1.673 -4.981) 5.256 ======================= Grid point 482 (237/294) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 8.665 19.890 25.090) 33.169 3.509 ( 21.069 9.992 30.146) 38.112 4.865 ( 15.276 5.007 23.953) 28.848 5.735 ( -6.627 -1.561 2.252) 7.171 6.745 ( 5.315 2.046 -9.618) 11.177 7.113 ( 8.089 -4.954 -21.724) 23.705 8.175 ( 4.333 1.078 -7.664) 8.870 8.938 ( -26.510 -15.606 6.304) 31.402 9.457 ( -14.528 -10.110 5.427) 18.512 9.882 ( -7.235 -0.746 11.163) 13.324 10.272 ( -9.785 2.342 -4.765) 11.133 10.425 ( -5.803 7.881 1.903) 9.970 10.743 ( 7.582 -7.083 7.721) 12.934 11.284 ( -1.400 6.543 4.796) 8.232 11.639 ( 12.930 -4.609 1.299) 13.788 11.911 ( -4.299 7.056 -10.254) 13.168 12.166 ( 8.728 -8.430 -3.005) 12.501 13.023 ( -5.921 0.205 -0.375) 5.937 13.766 ( 7.832 -2.345 -0.239) 8.179 14.103 ( 10.213 -2.183 -4.674) 11.442 14.450 ( -1.434 24.574 -0.501) 24.621 15.071 ( 20.032 -0.264 -5.696) 20.828 17.040 ( -7.882 -4.409 5.519) 10.584 17.352 ( -7.154 1.354 11.925) 13.972 17.974 ( 12.059 2.078 9.814) 15.686 18.532 ( -10.131 -4.799 -4.554) 12.100 20.074 ( -7.731 5.607 -7.906) 12.398 20.293 ( 4.470 -2.744 -7.044) 8.782 20.776 ( -1.006 -0.215 6.316) 6.399 21.480 ( -1.561 -4.765 -5.741) 7.622 ======================= Grid point 483 (238/294) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( 12.269 19.625 16.639) 28.504 4.080 ( 14.484 9.283 29.713) 34.334 5.249 ( 16.099 7.086 0.701) 17.603 5.580 ( -11.428 -2.515 2.435) 11.952 6.871 ( 5.527 4.461 -3.722) 8.019 7.089 ( 13.228 -12.626 -15.302) 23.844 8.191 ( -15.288 -6.573 10.489) 19.672 8.457 ( -2.618 -4.581 -3.509) 6.336 9.133 ( -12.886 -12.675 1.466) 18.134 9.793 ( -9.886 0.397 7.201) 12.237 10.110 ( -8.762 8.339 -8.258) 14.646 10.417 ( -7.043 10.523 4.353) 13.390 10.927 ( 13.125 -5.008 3.243) 14.418 11.173 ( -7.858 -7.209 -4.794) 11.692 11.655 ( -2.832 -5.357 -11.297) 12.819 11.949 ( 6.368 1.548 10.009) 11.963 12.277 ( 6.236 0.129 2.295) 6.647 12.916 ( -3.967 -1.112 -3.770) 5.585 13.862 ( 2.937 3.173 -4.765) 6.434 14.172 ( 10.607 -8.181 -2.496) 13.626 14.716 ( -0.790 22.327 5.938) 23.116 15.402 ( 21.578 1.313 -0.504) 21.624 16.952 ( -4.041 -0.634 8.274) 9.230 17.307 ( -7.051 0.225 9.715) 12.006 18.135 ( -10.847 -2.158 -0.267) 11.063 18.324 ( 6.115 -4.511 3.558) 8.391 19.972 ( -5.787 8.125 -10.373) 14.391 20.310 ( 5.194 -2.090 -6.476) 8.561 20.798 ( -0.352 0.297 5.126) 5.147 21.343 ( -3.780 -6.746 -5.725) 9.621 ======================= Grid point 484 (239/294) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.752 ( 11.771 14.481 9.496) 20.939 4.537 ( 10.565 6.877 25.305) 28.271 5.321 ( -14.654 -3.857 -0.013) 15.153 5.629 ( 17.651 11.902 -0.327) 21.291 6.866 ( -4.293 -3.053 -4.210) 6.743 7.038 ( 2.209 -17.132 -7.930) 19.007 7.837 ( -9.226 -4.520 0.271) 10.278 8.611 ( 6.892 2.507 4.596) 8.655 8.833 ( -5.335 -12.216 -3.527) 13.789 9.659 ( -11.679 3.769 3.260) 12.698 10.021 ( -9.930 12.998 -7.331) 17.924 10.488 ( 0.786 5.431 1.716) 5.749 10.813 ( -9.812 -8.381 -8.894) 15.672 11.110 ( 9.739 -12.022 -0.221) 15.473 11.551 ( -4.233 7.671 -0.448) 8.773 12.070 ( 9.264 -11.364 2.176) 14.822 12.381 ( -3.153 6.846 11.712) 13.927 12.869 ( 3.580 -1.442 -4.341) 5.809 13.845 ( -3.654 6.033 -11.091) 13.144 14.285 ( 11.406 -9.963 3.480) 15.539 14.866 ( -4.252 9.888 6.209) 12.426 15.802 ( 19.338 5.980 3.364) 20.519 16.996 ( -1.442 3.811 14.104) 14.681 17.240 ( -4.998 -2.791 6.796) 8.885 17.758 ( -19.289 -4.112 -9.473) 21.880 18.523 ( 10.650 -4.005 11.343) 16.066 19.908 ( -3.497 9.707 -13.809) 17.238 20.341 ( 4.684 -1.600 -5.551) 7.437 20.841 ( 1.773 1.439 3.076) 3.831 21.165 ( -5.191 -7.197 -4.652) 10.019 ======================= Grid point 485 (240/294) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.050 ( 5.776 5.920 3.357) 8.926 4.824 ( 0.949 -1.921 11.278) 11.480 5.055 ( -11.218 -0.355 11.765) 16.260 6.079 ( 18.281 12.952 0.836) 22.420 6.587 ( -13.312 -10.835 1.683) 17.246 6.878 ( -3.120 -3.763 -1.546) 5.127 7.815 ( 8.906 0.235 -11.427) 14.489 8.579 ( 1.872 -12.339 -4.236) 13.180 8.800 ( 2.259 0.082 1.504) 2.715 9.533 ( -9.591 6.204 -0.259) 11.426 9.828 ( -22.437 1.560 -8.040) 23.885 10.273 ( -9.963 -3.164 -13.020) 16.697 10.798 ( 4.049 -3.585 -0.227) 5.412 11.205 ( 12.563 2.276 5.313) 13.828 11.614 ( -0.408 5.229 7.055) 8.791 12.139 ( 10.275 -6.390 -1.686) 12.217 12.421 ( -4.124 1.055 8.613) 9.607 12.950 ( 5.769 2.465 1.100) 6.369 13.749 ( -5.488 5.102 -11.526) 13.748 14.365 ( 6.283 -9.149 3.064) 11.514 14.873 ( -4.736 1.893 5.859) 7.768 16.131 ( 9.869 2.606 2.763) 10.574 17.046 ( -8.161 0.232 14.531) 16.668 17.198 ( -5.831 -4.591 9.760) 12.261 17.425 ( -5.741 4.624 -8.454) 11.217 18.708 ( 8.544 -5.177 11.158) 14.976 19.872 ( -1.533 10.323 -16.448) 19.479 20.362 ( 3.121 -1.568 -4.564) 5.747 20.911 ( 1.272 2.147 -3.630) 4.405 21.005 ( -1.356 -5.430 1.011) 5.687 ======================= Grid point 486 (241/294) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.046 ( -8.874 -4.444 -0.001) 9.924 4.611 ( -15.376 -10.907 8.840) 20.821 5.159 ( 2.780 2.914 11.437) 12.126 6.148 ( -8.104 -8.095 3.172) 11.885 6.641 ( 5.966 15.514 -3.274) 16.941 6.932 ( 11.733 8.165 10.378) 17.665 7.910 ( 8.824 -1.456 -11.824) 14.825 8.516 ( 11.233 -16.050 -9.270) 21.673 8.798 ( -3.456 -3.899 4.198) 6.691 9.217 ( -26.747 -7.825 -17.794) 33.064 9.493 ( -5.940 9.846 2.308) 11.728 10.124 ( -5.647 5.244 -7.118) 10.491 10.733 ( -2.771 -3.788 -2.620) 5.375 11.575 ( 15.459 7.106 6.823) 18.332 11.704 ( 3.394 -0.949 7.272) 8.081 12.238 ( 8.105 -7.005 0.636) 10.732 12.398 ( -4.432 5.066 1.468) 6.889 13.090 ( 4.153 3.699 4.320) 7.041 13.635 ( -4.094 2.284 -10.263) 11.283 14.364 ( 1.842 -5.367 1.185) 5.797 14.848 ( -2.690 -1.941 7.234) 7.959 16.137 ( -6.886 -5.568 -3.021) 9.356 16.981 ( -19.864 1.016 14.429) 24.572 17.020 ( 3.647 -5.684 3.041) 7.406 17.570 ( 6.798 7.644 7.456) 12.658 18.848 ( 6.884 -3.949 7.410) 10.858 19.856 ( -0.246 10.177 -16.907) 19.735 20.362 ( 1.858 -1.631 -3.410) 4.212 20.805 ( -4.724 -2.726 -4.486) 7.062 21.107 ( 8.771 1.956 0.674) 9.011 ======================= Grid point 493 (242/294) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 12.161 13.415 32.237) 36.974 2.954 ( -8.079 21.391 29.217) 37.101 4.653 ( -1.124 5.972 46.226) 46.624 5.833 ( 0.583 -3.054 1.533) 3.467 6.638 ( -0.554 -9.280 -22.864) 24.681 7.050 ( -2.033 12.042 -24.023) 26.949 8.121 ( -0.651 0.684 -12.799) 12.834 9.480 ( -0.975 -13.089 6.670) 14.723 9.729 ( 2.604 -6.834 4.920) 8.814 10.063 ( 1.263 -14.339 17.211) 22.437 10.267 ( -0.892 -10.815 4.187) 11.631 10.462 ( 1.102 3.961 -0.038) 4.112 10.960 ( -2.744 3.849 12.026) 12.922 11.082 ( -0.889 -10.646 -3.222) 11.158 11.373 ( 10.422 3.371 5.896) 12.440 11.715 ( -8.262 7.098 -13.775) 17.561 12.341 ( -1.373 14.241 -4.117) 14.888 13.116 ( 0.663 -9.357 0.643) 9.402 13.614 ( -4.501 -1.210 -0.132) 4.663 13.872 ( 2.909 14.602 3.690) 15.340 14.423 ( 8.093 5.254 -13.060) 16.238 14.730 ( -6.609 17.648 -8.320) 20.600 17.178 ( -0.633 -15.034 4.912) 15.829 17.527 ( 6.884 -1.716 10.791) 12.914 17.706 ( -6.095 11.855 9.805) 16.548 18.711 ( 0.287 -2.939 -0.551) 3.004 20.138 ( 4.164 -7.903 -6.746) 11.194 20.270 ( -2.639 1.757 -7.002) 7.686 20.793 ( 0.102 -1.406 7.120) 7.258 21.526 ( -1.220 -0.541 -5.333) 5.498 ======================= Grid point 494 (243/294) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( -2.518 27.643 24.518) 37.035 3.416 ( 22.495 15.171 23.899) 36.158 4.950 ( 1.472 5.040 29.612) 30.074 5.809 ( -2.255 -2.072 3.039) 4.314 6.482 ( 7.717 -7.499 -16.244) 19.485 6.988 ( -2.070 7.975 -17.725) 19.546 8.088 ( 2.723 4.102 -7.245) 8.759 9.203 ( -18.483 -17.626 6.714) 26.408 9.555 ( -9.077 -20.092 3.106) 22.265 9.991 ( -5.364 -7.922 7.589) 12.212 10.321 ( 11.516 -10.856 9.348) 18.381 10.425 ( -5.645 4.722 -2.167) 7.672 10.854 ( -11.438 9.269 1.122) 14.765 11.188 ( 20.310 -18.704 3.920) 27.888 11.562 ( -9.657 7.096 -9.752) 15.450 11.712 ( 14.130 7.379 3.258) 16.270 12.301 ( -11.289 9.775 -4.076) 15.479 13.051 ( -0.345 -4.803 -0.284) 4.824 13.605 ( 6.168 -5.085 1.983) 8.236 14.072 ( -0.662 14.191 -0.843) 14.231 14.637 ( 12.979 17.939 -6.819) 23.168 14.805 ( 1.910 13.407 -6.858) 15.180 17.045 ( -1.789 -12.212 4.219) 13.044 17.586 ( -5.433 -0.479 11.869) 13.062 17.882 ( 7.334 7.772 8.543) 13.681 18.612 ( -6.703 -4.833 -2.918) 8.764 20.113 ( 5.866 -7.164 -7.200) 11.729 20.179 ( -4.804 3.060 -6.853) 8.911 20.816 ( -0.322 -1.934 6.671) 6.953 21.442 ( -2.619 -3.610 -5.034) 6.726 ======================= Grid point 495 (244/294) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.503 ( 1.768 23.597 15.129) 28.086 4.086 ( 19.509 15.832 24.095) 34.812 5.149 ( 4.204 6.613 4.612) 9.093 5.741 ( -6.843 -1.036 4.578) 8.298 6.549 ( 16.306 -9.368 -8.673) 20.710 6.931 ( -1.405 4.508 -10.147) 11.192 8.238 ( 8.994 9.549 2.065) 13.279 8.651 ( -26.978 -20.320 5.608) 34.237 9.173 ( -11.162 -23.845 0.189) 26.329 9.871 ( -3.193 -7.674 2.864) 8.791 10.256 ( -4.399 -0.243 -2.302) 4.971 10.611 ( 9.721 2.375 6.036) 11.687 10.765 ( -9.373 7.939 -2.581) 12.552 11.325 ( 13.723 -18.510 0.804) 23.056 11.365 ( -11.384 1.326 -5.182) 12.578 11.931 ( 2.627 7.087 -4.821) 8.965 12.301 ( 2.314 9.054 7.616) 12.055 12.950 ( -5.494 -4.515 -3.902) 8.111 13.738 ( 12.100 -5.536 5.638) 14.451 14.117 ( -6.008 14.769 -7.641) 17.681 14.928 ( 2.308 9.043 -2.394) 9.635 15.086 ( 19.353 17.620 1.476) 26.214 16.963 ( 0.555 -6.219 4.335) 7.601 17.524 ( -8.706 -0.689 9.340) 12.787 18.143 ( 10.538 2.493 8.233) 13.603 18.363 ( -14.048 -4.668 -4.023) 15.340 20.038 ( -2.217 -0.565 -11.426) 11.653 20.166 ( 4.071 0.088 -3.851) 5.604 20.828 ( -0.318 -1.924 5.620) 5.949 21.312 ( -3.756 -5.886 -4.418) 8.263 ======================= Grid point 496 (245/294) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.841 ( 4.979 19.116 7.905) 21.277 4.615 ( 9.154 9.759 26.095) 29.325 5.311 ( 8.901 7.556 -13.982) 18.216 5.657 ( -5.949 3.858 9.856) 12.141 6.643 ( 13.152 -14.754 -7.966) 21.310 6.898 ( -2.129 1.416 -3.805) 4.584 8.061 ( -22.689 -14.131 3.542) 26.963 8.558 ( 11.102 9.830 6.256) 16.094 8.747 ( -9.043 -25.463 -3.189) 27.208 9.773 ( -2.246 -5.864 0.197) 6.282 10.199 ( -4.503 6.343 -3.318) 8.457 10.684 ( -9.240 10.900 2.285) 14.470 10.724 ( 5.565 -8.889 -11.846) 15.822 11.067 ( -14.503 2.376 -0.206) 14.698 11.488 ( 15.342 -8.694 5.756) 18.550 11.945 ( -2.440 3.035 -3.666) 5.348 12.522 ( 3.267 5.990 11.306) 13.205 12.779 ( -1.757 -6.244 -4.931) 8.148 13.905 ( 5.585 -1.081 2.610) 6.259 14.112 ( -1.771 9.780 -5.943) 11.580 15.000 ( -0.095 2.011 0.766) 2.154 15.588 ( 18.478 13.798 5.419) 23.689 17.021 ( 5.211 1.852 6.703) 8.690 17.386 ( -9.917 -4.323 3.482) 11.365 18.002 ( -16.121 -6.450 -4.580) 17.958 18.401 ( 7.921 2.709 11.036) 13.852 19.933 ( -1.492 1.958 -14.528) 14.735 20.227 ( 4.497 1.050 -2.935) 5.472 20.842 ( 0.644 -1.325 3.759) 4.037 21.155 ( -4.694 -6.532 -3.307) 8.697 ======================= Grid point 497 (246/294) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( 2.353 14.348 2.596) 14.770 4.868 ( 0.895 0.128 13.649) 13.678 5.298 ( -8.412 0.687 4.804) 9.712 5.898 ( 16.471 13.076 0.205) 21.032 6.578 ( 1.480 -16.236 -2.422) 16.483 6.839 ( -2.267 -1.198 1.638) 3.043 7.740 ( -5.112 -1.956 -4.968) 7.392 8.361 ( -2.313 -26.340 -6.840) 27.312 8.806 ( 3.397 5.974 6.679) 9.583 9.655 ( -5.318 -3.384 -5.606) 8.436 10.146 ( -9.610 5.823 -4.434) 12.080 10.418 ( -17.964 1.333 -15.500) 23.764 10.703 ( 1.280 0.825 -2.712) 3.110 11.100 ( 7.719 5.373 13.175) 16.187 11.699 ( 5.916 0.178 6.878) 9.074 11.902 ( 3.634 -4.762 -1.302) 6.130 12.530 ( -5.188 1.642 -0.724) 5.490 12.850 ( 9.920 -2.195 6.179) 11.891 13.880 ( -8.018 6.650 -7.589) 12.888 14.208 ( 6.380 -0.399 3.447) 7.262 14.974 ( -3.266 -2.137 2.297) 4.529 15.998 ( 13.406 6.397 5.695) 15.909 17.143 ( -9.864 -7.430 -6.282) 13.856 17.244 ( 8.046 5.081 13.453) 16.478 17.669 ( -16.201 -1.869 0.573) 16.318 18.604 ( 6.762 -0.358 11.119) 13.018 19.856 ( 0.448 4.107 -17.400) 17.884 20.290 ( 2.843 1.908 -2.157) 4.047 20.874 ( 2.370 0.143 -0.669) 2.467 21.001 ( -4.281 -5.952 -0.198) 7.334 ======================= Grid point 498 (247/294) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.187 ( -6.789 7.628 -0.881) 10.250 4.802 ( -10.913 -6.872 5.348) 13.962 5.256 ( -3.161 0.757 13.265) 13.657 6.128 ( 1.873 -9.812 3.529) 10.595 6.590 ( 10.299 6.014 -3.509) 12.432 6.883 ( 6.741 4.737 8.367) 11.742 7.740 ( 6.341 4.793 -8.689) 11.776 8.095 ( 6.059 -24.609 -9.779) 27.165 8.880 ( -2.730 1.226 5.938) 6.650 9.403 ( -15.253 -5.349 -19.080) 25.006 9.820 ( -21.276 4.678 -0.252) 21.786 10.244 ( -5.381 7.912 -5.365) 10.970 10.704 ( 0.425 0.456 -2.356) 2.438 11.451 ( 13.519 7.078 10.900) 18.753 11.705 ( -2.267 -3.371 3.951) 5.667 12.013 ( 11.109 -7.686 3.009) 13.840 12.507 ( -1.422 9.515 -4.121) 10.466 13.026 ( 8.966 -3.871 7.484) 12.304 13.723 ( -9.753 3.280 -9.076) 13.720 14.307 ( 2.579 0.553 3.591) 4.456 14.913 ( -2.544 -3.277 5.101) 6.574 16.164 ( -1.113 -2.100 1.214) 2.669 16.913 ( -0.692 -6.106 -6.937) 9.267 17.344 ( -13.902 -7.808 16.002) 22.589 17.594 ( 5.952 10.739 6.245) 13.775 18.755 ( 5.342 -1.688 8.601) 10.265 19.821 ( 2.152 6.619 -18.161) 19.449 20.327 ( 0.655 1.926 -1.280) 2.403 20.827 ( -4.011 -1.837 -5.305) 6.899 20.994 ( 5.781 -1.013 2.274) 6.294 ======================= Grid point 505 (248/294) ======================= q-point: ( 0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 1.450 13.828 28.176) 31.419 3.548 ( -15.288 18.619 26.121) 35.535 4.986 ( -3.051 7.460 24.728) 26.009 5.771 ( 3.732 -4.748 2.598) 6.575 6.546 ( -9.265 -3.146 -12.200) 15.639 7.088 ( -2.886 15.052 -21.188) 26.151 8.111 ( -3.213 5.311 -8.244) 10.320 9.208 ( 18.596 -18.929 7.351) 27.535 9.553 ( 6.057 -15.965 2.426) 17.247 9.986 ( 6.112 -9.645 17.108) 20.568 10.252 ( -4.225 -8.520 3.468) 10.123 10.293 ( 12.591 -10.872 -6.083) 17.712 10.849 ( -0.256 -2.580 2.892) 3.884 11.292 ( -5.814 6.575 8.040) 11.902 11.474 ( -13.512 1.909 -0.678) 13.663 11.780 ( -0.279 4.154 -11.905) 12.612 12.432 ( 6.152 18.700 -3.222) 19.948 12.990 ( 2.403 -10.138 0.814) 10.451 13.775 ( -10.646 2.810 -0.172) 11.012 14.022 ( -5.177 4.274 5.121) 8.444 14.292 ( 5.338 11.883 -10.449) 16.700 15.048 ( -11.014 22.856 -7.373) 26.421 17.050 ( 1.842 -14.032 5.590) 15.216 17.444 ( 6.182 -3.004 8.842) 11.199 18.011 ( -7.717 11.647 10.652) 17.569 18.601 ( 7.063 -5.735 -1.951) 9.305 19.941 ( 2.716 -11.212 -6.064) 13.033 20.280 ( -1.362 2.897 -6.715) 7.439 20.810 ( 0.546 -2.309 6.655) 7.065 21.493 ( 0.816 -0.630 -6.712) 6.791 ======================= Grid point 506 (249/294) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.360 ( 17.766 20.688 21.895) 34.971 3.662 ( -10.363 21.566 20.091) 31.243 5.161 ( -0.185 4.840 18.353) 18.981 5.807 ( 2.233 -2.803 4.418) 5.689 6.313 ( -4.786 -1.136 -11.741) 12.730 7.031 ( -4.561 9.578 -16.326) 19.470 8.100 ( -1.093 9.302 -3.761) 10.093 9.228 ( 1.765 -22.959 6.132) 23.829 9.386 ( -2.215 -25.411 -0.791) 25.519 10.055 ( -5.724 -4.864 5.200) 9.136 10.128 ( 5.703 -14.736 13.228) 20.608 10.439 ( 14.208 -4.981 -2.826) 15.319 10.745 ( -1.197 -14.792 1.753) 14.943 11.163 ( -10.142 10.183 -0.072) 14.372 11.479 ( 1.914 4.346 -8.008) 9.310 11.858 ( 2.738 12.740 3.177) 13.412 12.543 ( -9.318 11.663 -5.606) 15.947 12.953 ( 4.426 -7.744 1.238) 9.006 13.555 ( -6.019 -4.875 0.884) 7.796 14.246 ( 6.492 14.897 6.586) 17.534 14.455 ( 7.068 13.472 -11.356) 18.985 15.076 ( -8.177 26.844 -7.127) 28.952 16.957 ( 0.204 -13.565 5.924) 14.804 17.570 ( 6.504 -4.953 7.146) 10.858 18.066 ( -6.789 12.457 9.494) 17.070 18.598 ( 0.759 -6.232 -2.903) 6.917 19.880 ( 6.324 -10.704 -4.840) 13.341 20.226 ( -2.977 2.241 -6.427) 7.429 20.831 ( 0.328 -3.234 6.523) 7.288 21.421 ( -2.183 -3.193 -6.080) 7.207 ======================= Grid point 507 (250/294) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.767 ( 1.242 13.382 7.337) 15.312 4.090 ( 15.691 27.066 21.442) 37.928 5.252 ( -3.152 5.426 3.448) 7.160 5.823 ( -0.742 -1.879 4.156) 4.621 6.274 ( 4.504 1.206 -3.336) 5.733 6.947 ( -2.558 3.913 -10.043) 11.078 8.236 ( 4.843 13.447 2.247) 14.468 8.892 ( -18.796 -22.754 7.449) 30.439 9.010 ( -5.297 -33.171 -4.282) 33.863 9.883 ( -6.958 -7.261 1.189) 10.127 10.164 ( 5.663 -12.144 6.367) 14.835 10.580 ( -1.526 5.245 -3.356) 6.411 10.738 ( 24.190 -18.887 3.388) 30.876 11.118 ( -11.969 11.694 1.723) 16.822 11.464 ( 0.118 -0.351 -9.493) 9.501 12.059 ( -0.374 13.386 5.610) 14.519 12.400 ( -7.698 5.508 -2.739) 9.854 12.952 ( -0.810 -3.121 -3.195) 4.539 13.534 ( 7.235 -5.525 4.074) 9.974 14.422 ( -8.764 20.115 0.677) 21.952 14.691 ( 16.000 3.644 -7.471) 18.030 15.242 ( 0.171 27.037 -0.841) 27.051 16.901 ( 2.072 -7.633 5.829) 9.825 17.618 ( 0.182 -5.982 5.313) 8.003 18.120 ( -2.452 3.641 2.200) 4.910 18.502 ( -5.151 -0.129 1.357) 5.328 19.860 ( 6.255 -9.505 -7.359) 13.551 20.171 ( -1.859 3.286 -4.308) 5.728 20.839 ( 0.090 -3.475 5.786) 6.750 21.297 ( -3.627 -5.094 -4.468) 7.686 ======================= Grid point 508 (251/294) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.977 ( 4.449 14.729 2.810) 15.641 4.698 ( 13.211 16.701 21.367) 30.166 5.234 ( -1.370 8.387 -12.656) 15.244 5.814 ( -2.056 0.085 4.141) 4.623 6.356 ( 4.633 -1.281 -0.316) 4.817 6.920 ( -0.266 2.132 -1.862) 2.844 8.315 ( -22.237 -17.634 3.527) 28.598 8.480 ( -1.129 -14.893 -1.164) 14.981 8.624 ( 2.494 -7.832 3.889) 9.093 9.723 ( -2.911 -8.825 -0.079) 9.293 10.183 ( 5.281 -7.933 1.086) 9.591 10.549 ( 1.440 0.050 -10.551) 10.649 10.981 ( -13.445 8.438 -0.065) 15.873 11.068 ( 22.687 -9.825 8.242) 26.061 11.355 ( -9.473 3.805 -2.546) 10.522 12.111 ( -9.116 14.558 -2.781) 17.401 12.468 ( 9.627 -2.076 5.536) 11.298 12.804 ( -8.650 -3.093 -4.647) 10.295 13.700 ( 13.175 -5.990 7.272) 16.197 14.406 ( -13.405 20.296 -6.092) 25.075 14.890 ( 10.091 -2.173 -3.226) 10.815 15.564 ( 8.148 19.404 4.962) 21.623 16.979 ( 6.557 1.499 7.291) 9.920 17.505 ( -8.647 -6.135 -0.658) 10.623 18.008 ( -3.327 -11.342 -6.949) 13.711 18.530 ( -3.342 10.814 11.866) 16.399 19.799 ( 3.624 -6.880 -12.818) 14.992 20.193 ( 1.799 4.028 -0.965) 4.516 20.838 ( 0.148 -3.122 4.154) 5.199 21.156 ( -4.288 -5.552 -2.402) 7.415 ======================= Grid point 509 (252/294) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.221 ( 4.714 15.845 0.317) 16.534 4.964 ( -3.108 0.252 10.240) 10.704 5.335 ( 7.579 8.266 -4.211) 11.979 5.838 ( 3.218 4.553 -0.444) 5.593 6.387 ( 2.415 -3.758 0.651) 4.514 6.924 ( -3.124 0.792 5.664) 6.517 7.846 ( -15.071 -9.022 0.777) 17.582 8.079 ( -3.373 -32.337 -6.223) 33.102 8.851 ( 4.841 7.838 5.889) 10.934 9.600 ( -0.891 -9.613 -4.019) 10.457 10.182 ( 2.398 -5.492 -3.183) 6.785 10.498 ( -3.129 7.163 -14.153) 16.168 10.857 ( -8.529 5.529 1.134) 10.227 11.262 ( -8.117 9.476 8.011) 14.828 11.408 ( 20.974 -7.874 7.091) 23.499 12.020 ( -12.220 6.425 -2.943) 14.116 12.592 ( 2.052 -5.945 -4.267) 7.600 12.688 ( 3.972 0.738 6.496) 7.649 13.883 ( 8.006 -5.659 6.630) 11.836 14.328 ( -10.763 16.891 -7.254) 21.302 14.950 ( 2.693 -4.596 -0.488) 5.349 15.906 ( 10.645 10.014 6.171) 15.864 17.187 ( -4.886 -9.085 2.604) 10.639 17.249 ( 1.696 7.842 -1.143) 8.104 17.784 ( -5.740 -10.984 -3.347) 12.837 18.671 ( -1.409 8.318 13.565) 15.974 19.719 ( 3.823 -2.773 -16.800) 17.451 20.274 ( 2.521 4.380 0.437) 5.072 20.836 ( 0.937 -2.040 0.726) 2.359 21.025 ( -4.415 -4.726 0.456) 6.483 ======================= Grid point 510 (253/294) ======================= q-point: (-0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.390 ( -3.587 15.328 -2.089) 15.880 4.903 ( -5.088 -3.081 2.393) 6.411 5.379 ( -3.542 -4.450 6.326) 8.507 5.978 ( 7.245 -5.632 2.441) 9.496 6.444 ( 7.371 4.808 -2.363) 9.112 6.908 ( -0.980 -2.784 7.609) 8.161 7.663 ( -1.524 -6.382 -4.687) 8.064 7.785 ( 2.593 -11.347 -2.254) 11.856 8.950 ( -0.610 0.707 3.584) 3.704 9.411 ( -5.908 -8.747 -12.594) 16.432 10.084 ( -7.190 -0.722 -8.422) 11.098 10.426 ( -8.351 12.610 -6.147) 16.326 10.793 ( -6.938 5.861 3.739) 9.821 11.408 ( 6.355 7.096 11.263) 14.751 11.672 ( 12.154 -8.290 5.648) 15.759 11.836 ( -4.976 -2.950 -2.051) 6.138 12.583 ( 0.702 7.926 -4.032) 8.921 12.833 ( 9.692 -6.759 6.066) 13.282 13.859 ( -7.516 -2.039 -2.585) 8.205 14.352 ( -0.196 9.928 1.039) 9.985 14.918 ( -0.381 -4.421 1.571) 4.707 16.149 ( 4.773 2.329 4.848) 7.190 16.856 ( -7.502 -7.843 -11.658) 15.928 17.463 ( -1.868 -11.901 14.534) 18.878 17.640 ( 2.923 7.961 -0.637) 8.504 18.782 ( -1.236 2.861 11.098) 11.527 19.690 ( 5.553 2.885 -17.724) 18.796 20.350 ( 0.679 4.231 1.144) 4.435 20.825 ( -0.439 -0.131 -5.531) 5.550 20.947 ( -0.747 -3.385 4.670) 5.816 ======================= Grid point 517 (254/294) ======================= q-point: ( 0.33 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( -9.302 13.712 21.658) 27.269 4.100 ( -14.057 11.797 25.709) 31.587 5.195 ( -4.779 8.712 1.179) 10.006 5.648 ( 6.762 -6.404 4.332) 10.272 6.675 ( -11.749 -0.847 -7.148) 13.778 7.184 ( -2.978 16.993 -16.387) 23.794 8.251 ( -5.905 9.370 1.654) 11.198 8.666 ( 24.654 -19.630 5.188) 31.938 9.260 ( 9.909 -16.883 -2.082) 19.686 9.854 ( 8.173 -13.305 14.528) 21.328 9.942 ( 5.239 -15.249 -5.766) 17.124 10.283 ( -4.760 -3.557 2.944) 6.632 10.967 ( -6.115 5.522 2.843) 8.716 11.359 ( 6.751 8.480 -2.264) 11.073 11.547 ( 1.498 -10.333 -10.598) 14.878 11.901 ( -14.184 6.632 6.048) 16.785 12.456 ( 9.398 15.442 -3.108) 18.343 12.867 ( 0.566 -8.405 -1.214) 8.511 13.877 ( 5.379 9.188 -5.287) 11.887 14.232 ( -22.381 -10.098 3.235) 24.766 14.387 ( -0.347 17.114 2.006) 17.234 15.410 ( -9.538 21.941 -3.771) 24.220 16.951 ( -0.183 -9.775 7.365) 12.240 17.371 ( 4.264 -4.020 6.925) 9.072 18.212 ( 7.068 -1.492 1.311) 7.342 18.435 ( 0.282 4.788 5.510) 7.305 19.772 ( -0.588 -11.718 -6.944) 13.634 20.299 ( -1.598 4.095 -6.437) 7.795 20.815 ( 0.246 -2.610 5.522) 6.112 21.398 ( 4.116 -1.675 -7.176) 8.440 ======================= Grid point 518 (255/294) ======================= q-point: ( 0.42 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( 5.539 19.964 17.949) 27.412 4.148 ( -11.212 15.427 19.993) 27.631 5.248 ( 1.057 6.417 0.033) 6.503 5.741 ( 5.740 -3.277 6.466) 9.247 6.430 ( -11.234 2.669 -7.209) 13.613 7.121 ( -6.824 8.371 -15.202) 18.647 8.277 ( -5.975 15.484 1.490) 16.663 8.821 ( 14.885 -28.757 4.554) 32.700 9.150 ( 5.068 -23.138 -3.844) 23.996 9.928 ( 10.345 -13.731 0.004) 17.192 9.989 ( 12.546 -14.794 17.389) 26.051 10.184 ( -6.122 -3.430 1.065) 7.098 10.849 ( -11.036 -1.772 0.635) 11.195 11.317 ( -4.986 1.674 -4.770) 7.100 11.582 ( -2.601 8.762 -3.266) 9.706 11.848 ( 3.428 7.102 -2.793) 8.366 12.709 ( 3.324 13.124 -4.274) 14.197 12.803 ( 3.436 -8.642 1.069) 9.361 13.745 ( -21.266 -6.116 3.754) 22.444 14.146 ( 13.244 10.442 -5.601) 17.771 14.583 ( 0.251 16.735 3.515) 17.102 15.451 ( -9.336 25.914 -6.596) 28.323 16.879 ( -1.034 -11.000 8.392) 13.874 17.450 ( 5.753 -4.221 3.991) 8.176 18.352 ( 2.433 8.416 5.621) 10.409 18.444 ( -1.472 -3.998 -1.388) 4.481 19.659 ( 4.070 -11.884 -2.352) 12.780 20.258 ( -2.650 2.936 -6.046) 7.224 20.825 ( 0.569 -3.858 5.788) 6.979 21.364 ( 0.435 -3.878 -6.969) 7.987 ======================= Grid point 519 (256/294) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.821 ( 5.331 11.149 3.998) 12.989 4.361 ( 1.295 23.874 20.855) 31.727 5.317 ( 0.787 6.584 -6.509) 9.292 5.808 ( 0.956 -3.235 3.150) 4.616 6.348 ( -2.659 9.543 2.917) 10.327 6.978 ( -5.371 2.445 -11.150) 12.616 8.378 ( -1.490 15.620 3.633) 16.106 8.624 ( 1.216 -35.787 -3.152) 35.946 8.961 ( -4.772 -20.859 2.363) 21.528 9.960 ( 0.639 -7.573 4.421) 8.792 10.003 ( -3.688 -11.262 -0.438) 11.858 10.177 ( 17.684 -22.086 15.449) 32.237 10.684 ( -4.770 5.783 -3.477) 8.263 11.331 ( 3.884 7.939 -8.229) 12.076 11.487 ( -13.036 6.483 -2.323) 14.744 12.043 ( 10.480 2.861 0.879) 10.899 12.677 ( -9.982 3.313 0.925) 10.558 12.870 ( 3.462 3.526 -5.632) 7.493 13.483 ( -5.373 -4.457 3.345) 7.741 14.432 ( 13.882 6.722 -5.913) 16.518 14.741 ( -3.668 14.691 4.692) 15.852 15.538 ( -5.844 27.187 -5.632) 28.373 16.838 ( 1.362 -6.951 8.746) 11.254 17.518 ( 5.311 -5.497 1.757) 7.843 18.260 ( -10.907 -4.017 -5.876) 13.024 18.546 ( 5.024 8.069 5.701) 11.084 19.625 ( 5.456 -11.257 -1.417) 12.589 20.208 ( -2.247 2.775 -4.274) 5.569 20.829 ( 0.541 -4.211 5.489) 6.939 21.267 ( -1.859 -5.187 -5.087) 7.499 ======================= Grid point 520 (257/294) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.992 ( 6.034 9.113 -2.385) 11.187 4.800 ( 8.541 17.235 18.766) 26.873 5.302 ( -3.945 10.157 -14.953) 18.502 5.785 ( 1.025 -2.227 -2.135) 3.251 6.464 ( -4.103 10.509 8.903) 14.371 6.918 ( 1.754 1.714 -1.455) 2.851 8.216 ( -3.357 -36.318 -6.238) 37.003 8.512 ( -11.087 -5.127 3.568) 12.726 8.639 ( -2.951 -1.377 7.640) 8.305 9.736 ( -9.077 -10.117 -0.056) 13.592 9.998 ( 5.793 -8.100 1.125) 10.022 10.324 ( 15.740 -16.626 5.437) 23.532 10.801 ( 9.092 7.878 0.275) 12.034 11.257 ( -12.576 -1.571 -3.127) 13.054 11.443 ( -0.390 11.896 -4.619) 12.768 12.221 ( 9.600 -2.694 2.577) 10.298 12.538 ( -14.595 11.376 0.098) 18.505 12.861 ( -2.398 0.012 -6.818) 7.227 13.494 ( 7.791 -4.707 5.759) 10.771 14.658 ( 11.752 -0.048 -3.776) 12.344 14.774 ( -9.826 14.497 -1.102) 17.548 15.713 ( -0.111 21.091 0.184) 21.092 16.926 ( 6.653 0.705 9.362) 11.507 17.514 ( -0.337 -6.873 -0.803) 6.928 17.953 ( -9.841 -8.892 -12.667) 18.340 18.745 ( 0.745 12.357 10.142) 16.004 19.576 ( 4.015 -10.736 -6.618) 13.235 20.207 ( 0.587 3.547 -0.615) 3.647 20.826 ( 0.207 -3.917 4.356) 5.861 21.153 ( -2.833 -5.004 -2.265) 6.181 ======================= Grid point 521 (258/294) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.214 ( 10.413 11.215 -2.825) 15.562 5.066 ( -0.706 1.102 5.867) 6.011 5.281 ( 2.189 9.114 -8.844) 12.887 5.799 ( 2.336 4.196 -4.738) 6.746 6.486 ( -6.941 7.396 4.993) 11.305 6.989 ( 0.414 -2.205 7.246) 7.586 7.794 ( -2.617 -27.925 -3.999) 28.331 8.078 ( -20.802 -11.570 7.387) 24.924 8.847 ( 7.120 6.418 3.111) 10.078 9.510 ( -4.225 -11.712 -2.270) 12.656 10.024 ( 5.198 -4.279 -3.531) 7.602 10.467 ( 10.242 -2.861 0.012) 10.634 11.027 ( -5.904 -0.949 1.974) 6.298 11.068 ( 10.940 1.180 0.340) 11.009 11.497 ( -3.874 10.189 -0.167) 10.902 12.336 ( -2.338 -8.921 -1.922) 9.420 12.383 ( -6.421 12.488 -0.148) 14.042 12.770 ( -3.791 2.074 -1.286) 4.509 13.676 ( 13.334 -6.021 7.685) 16.526 14.631 ( -10.976 7.245 -7.320) 15.051 14.838 ( 5.040 2.174 -0.575) 5.519 15.922 ( 3.969 12.424 4.072) 13.664 17.158 ( 7.398 -0.341 12.250) 14.315 17.313 ( -9.534 -3.841 -10.185) 14.471 17.687 ( -1.911 -8.803 -10.755) 14.029 18.914 ( -3.985 11.292 14.246) 18.610 19.493 ( 5.266 -7.467 -13.814) 16.563 20.281 ( 2.691 4.147 2.101) 5.371 20.813 ( -0.062 -3.002 2.050) 3.636 21.055 ( -3.249 -3.522 0.709) 4.844 ======================= Grid point 522 (259/294) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.492 ( 8.657 13.432 -2.124) 16.121 4.988 ( -7.046 1.696 -3.344) 7.981 5.314 ( 3.438 -8.828 -3.816) 10.214 5.876 ( 2.513 1.881 1.666) 3.553 6.472 ( -3.843 7.129 -0.712) 8.130 6.868 ( -2.975 -21.103 2.317) 21.437 7.630 ( -4.232 -3.919 4.923) 7.583 7.817 ( -5.433 3.888 8.717) 10.983 8.954 ( 1.403 -0.864 0.311) 1.677 9.317 ( -3.079 -10.794 -8.060) 13.819 10.040 ( 2.814 -0.411 -7.337) 7.869 10.595 ( 2.091 7.435 -1.036) 7.792 10.951 ( -3.733 3.161 3.688) 6.127 11.321 ( 18.373 -7.888 1.925) 20.087 11.530 ( -3.521 7.893 4.929) 9.950 12.006 ( -18.150 -4.202 -5.265) 19.360 12.525 ( 7.409 3.189 1.444) 8.195 12.778 ( -0.143 3.868 2.492) 4.603 13.842 ( 5.946 -6.422 5.386) 10.277 14.485 ( -6.156 6.343 -6.727) 11.108 14.895 ( 0.360 0.389 0.736) 0.907 16.128 ( 5.559 5.889 5.468) 9.772 16.869 ( -13.139 -10.362 -12.893) 21.124 17.400 ( 2.382 -12.983 8.700) 15.809 17.622 ( 6.178 8.390 -4.448) 11.330 18.964 ( -7.895 2.063 12.240) 14.711 19.493 ( 8.796 2.786 -14.973) 17.588 20.383 ( 2.169 4.091 3.301) 5.687 20.794 ( 0.111 -1.139 -1.548) 1.925 20.986 ( -3.244 -1.732 3.042) 4.773 ======================= Grid point 530 (260/294) ======================= q-point: ( 0.33 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.637 ( -12.535 13.596 14.602) 23.563 4.559 ( -11.683 6.562 24.752) 28.146 5.330 ( -1.250 2.862 -9.810) 10.296 5.538 ( -0.241 0.402 9.002) 9.014 6.768 ( -6.484 -1.869 -8.963) 11.219 7.249 ( 4.046 9.405 -12.459) 16.126 8.015 ( 22.182 -15.002 4.374) 27.134 8.581 ( -8.365 8.869 1.569) 12.292 8.908 ( 8.022 -15.174 -7.528) 18.742 9.639 ( 6.845 -15.476 7.575) 18.540 9.799 ( -1.712 -9.692 2.978) 10.282 10.399 ( -7.418 2.619 2.338) 8.207 11.006 ( 12.732 5.152 -5.902) 14.949 11.324 ( 6.106 8.547 -3.954) 11.223 11.354 ( -4.510 -7.577 -4.085) 9.718 12.241 ( -13.055 1.248 13.514) 18.831 12.355 ( 10.743 4.172 -2.835) 11.868 12.825 ( -2.770 -0.924 -4.498) 5.362 13.788 ( 6.436 4.963 -9.566) 12.553 14.486 ( -2.837 7.302 5.573) 9.614 14.616 ( -14.249 -1.732 5.828) 15.492 15.744 ( -10.093 16.367 -0.576) 19.238 16.977 ( -4.219 -5.367 12.566) 14.301 17.309 ( 2.982 -2.439 3.798) 5.409 17.854 ( 18.068 -10.808 -6.487) 22.031 18.674 ( -4.055 12.890 12.342) 18.301 19.647 ( -3.797 -11.217 -10.121) 15.578 20.332 ( -1.620 4.682 -5.995) 7.778 20.825 ( -1.074 -2.027 3.510) 4.193 21.245 ( 6.296 -2.511 -6.289) 9.246 ======================= Grid point 531 (261/294) ======================= q-point: ( 0.42 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.760 ( -3.952 19.046 13.806) 23.853 4.572 ( -10.601 8.167 20.758) 24.697 5.303 ( -1.478 9.415 -9.036) 13.133 5.649 ( 6.289 -1.803 9.117) 11.221 6.564 ( -8.261 0.226 -9.758) 12.788 7.210 ( -5.511 4.840 -14.439) 16.195 8.279 ( 23.075 -21.652 5.154) 32.059 8.493 ( -2.783 -4.548 -2.701) 5.976 8.814 ( 1.692 -8.673 -5.319) 10.314 9.654 ( 7.421 -12.118 3.321) 14.593 9.829 ( 5.909 -8.507 17.756) 20.556 10.303 ( -8.281 1.012 1.554) 8.486 11.009 ( -9.554 -3.800 -0.164) 10.283 11.352 ( 2.688 5.344 -6.896) 9.129 11.485 ( 11.654 6.971 -6.987) 15.272 12.017 ( -14.303 -0.122 3.039) 14.623 12.601 ( 11.602 0.825 -2.576) 11.913 12.750 ( -0.431 1.316 -2.016) 2.446 13.983 ( 9.902 6.471 -6.769) 13.629 14.144 ( -23.170 -3.151 6.879) 24.374 14.733 ( 2.056 12.435 4.368) 13.339 15.766 ( -6.103 18.666 -4.575) 20.164 16.912 ( -5.262 -7.191 14.000) 16.596 17.356 ( 3.500 -0.518 -0.832) 3.635 18.044 ( 18.219 -8.124 -4.767) 20.510 18.734 ( -10.813 12.032 6.305) 17.362 19.482 ( 2.452 -11.851 -1.201) 12.161 20.302 ( -2.757 3.939 -5.743) 7.490 20.813 ( 0.025 -3.596 4.476) 5.742 21.249 ( 3.112 -4.460 -6.764) 8.679 ======================= Grid point 532 (262/294) ======================= q-point: ( 0.50 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.932 ( -2.560 12.143 4.479) 13.193 4.682 ( -2.128 13.316 19.818) 23.970 5.339 ( -0.176 12.978 -12.015) 17.687 5.773 ( 3.068 -2.092 5.527) 6.658 6.461 ( -0.211 6.010 -2.490) 6.509 7.041 ( -7.486 1.401 -11.345) 13.664 8.188 ( 2.953 -30.610 -3.598) 30.962 8.586 ( 14.206 -9.088 2.233) 17.011 8.741 ( -4.271 0.962 -0.521) 4.409 9.689 ( 8.147 -13.255 3.305) 15.906 9.961 ( 4.531 -12.499 23.925) 27.371 10.148 ( -9.810 -1.946 0.826) 10.035 10.804 ( -8.711 -0.219 -3.863) 9.531 11.316 ( -2.539 5.231 -8.671) 10.440 11.701 ( 0.960 8.999 -4.271) 10.008 11.904 ( 2.915 1.906 -2.258) 4.150 12.614 ( 3.121 -10.167 2.324) 10.886 12.906 ( 6.308 11.485 -6.994) 14.853 13.700 ( -20.247 -4.905 7.183) 22.037 14.262 ( 10.491 9.003 -7.421) 15.690 14.897 ( 1.538 7.984 5.504) 9.819 15.837 ( -4.452 21.232 -6.619) 22.681 16.857 ( -2.939 -6.005 14.385) 15.862 17.404 ( 3.613 0.455 -3.533) 5.074 18.166 ( 7.549 -10.918 -7.406) 15.200 18.685 ( -6.399 12.498 -0.033) 14.041 19.463 ( 3.716 -9.631 7.121) 12.541 20.254 ( -2.971 3.224 -4.228) 6.090 20.810 ( 0.561 -3.977 4.965) 6.387 21.193 ( 0.729 -5.381 -5.429) 7.679 ======================= Grid point 533 (263/294) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.994 ( 0.196 7.440 -1.947) 7.693 4.922 ( 3.796 6.117 13.920) 15.671 5.383 ( -2.464 15.528 -15.499) 22.078 5.774 ( -1.224 2.972 -1.747) 3.659 6.644 ( 5.564 9.824 9.243) 14.591 6.890 ( -2.702 -1.187 -6.046) 6.728 7.885 ( -1.060 -29.109 -4.074) 29.411 8.612 ( 0.049 -17.641 5.438) 18.460 8.719 ( -4.447 10.580 1.354) 11.556 9.679 ( 4.606 -17.168 2.336) 17.928 9.947 ( -7.367 -0.394 1.336) 7.498 10.030 ( 3.445 -16.941 18.291) 25.168 10.765 ( 4.110 5.407 -3.566) 7.671 11.293 ( -1.050 3.458 -8.874) 9.582 11.653 ( -9.126 11.012 -3.955) 14.839 12.043 ( 8.564 -1.450 0.166) 8.687 12.635 ( 7.984 -7.324 2.387) 11.095 12.964 ( -8.047 12.244 -9.684) 17.563 13.480 ( -6.317 -2.538 7.345) 10.015 14.454 ( 10.481 2.327 -4.579) 11.672 14.975 ( -2.732 5.095 0.837) 5.841 15.942 ( -3.131 19.351 -3.835) 19.974 16.902 ( 3.446 -1.805 13.594) 14.140 17.429 ( 1.903 -0.604 -4.708) 5.114 17.955 ( -8.992 -10.894 -14.584) 20.303 18.829 ( 6.956 11.773 0.023) 13.674 19.448 ( -1.272 -8.627 7.611) 11.575 20.235 ( -0.643 3.133 -0.835) 3.305 20.811 ( 0.335 -3.635 4.778) 6.013 21.119 ( -0.384 -4.604 -2.823) 5.414 ======================= Grid point 534 (264/294) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.115 ( 8.045 7.398 -3.113) 11.364 5.050 ( 4.102 -1.969 1.807) 4.896 5.313 ( -5.378 2.203 -13.326) 14.538 5.859 ( -0.314 17.386 -2.598) 17.582 6.718 ( -7.490 7.433 0.972) 10.597 6.905 ( 4.226 -14.453 3.572) 15.476 7.624 ( -0.624 -11.221 3.618) 11.807 8.376 ( -16.870 -8.759 12.088) 22.526 8.795 ( 4.587 3.659 -0.129) 5.869 9.496 ( -7.726 -11.592 -1.192) 13.982 9.915 ( 3.969 -0.494 -5.442) 6.754 10.114 ( 15.525 -19.368 15.061) 29.034 10.912 ( 7.857 1.827 -0.760) 8.102 11.209 ( -7.825 6.194 -4.454) 10.929 11.636 ( -3.281 11.682 -5.444) 13.299 12.140 ( 6.431 -5.349 2.596) 8.758 12.736 ( 6.028 -1.507 2.895) 6.855 12.796 ( -16.097 10.952 -10.690) 22.211 13.497 ( 5.358 -3.322 7.873) 10.086 14.590 ( 7.084 -3.861 -1.222) 8.160 14.932 ( -5.378 6.228 -5.363) 9.822 16.047 ( -1.498 12.067 1.269) 12.226 17.091 ( 8.932 -1.190 13.341) 16.099 17.349 ( -7.277 -5.653 -7.194) 11.690 17.603 ( -6.241 -3.660 -19.523) 20.821 19.080 ( 9.421 10.864 -1.221) 14.431 19.339 ( -6.752 -7.802 5.913) 11.892 20.288 ( 2.387 3.214 2.622) 4.786 20.806 ( -0.395 -2.963 3.973) 4.972 21.066 ( -0.916 -2.199 -0.239) 2.394 ======================= Grid point 536 (265/294) ======================= q-point: (-0.25 -0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.361 ( 14.325 6.117 -1.655) 15.664 5.079 ( 3.048 -1.790 -4.310) 5.575 5.130 ( -4.609 -4.853 -12.295) 13.998 5.972 ( -4.738 11.645 1.012) 12.613 6.594 ( -9.986 -20.279 -5.353) 23.230 6.703 ( -0.846 -2.034 -0.314) 2.225 7.757 ( 3.195 11.303 14.752) 18.857 8.110 ( -16.977 0.805 15.946) 23.306 8.890 ( 4.392 -1.159 -2.091) 5.000 9.253 ( -6.589 -9.025 -5.022) 12.251 9.948 ( 3.734 2.070 -7.886) 8.968 10.327 ( 22.086 -20.496 10.920) 32.049 11.007 ( 6.896 -6.074 1.761) 9.357 11.171 ( -6.156 15.239 -4.593) 17.065 11.662 ( -2.437 7.541 -2.745) 8.387 12.131 ( -4.903 -7.118 -1.760) 8.821 12.613 ( -8.153 11.468 -4.320) 14.719 12.827 ( 1.678 2.999 3.880) 5.183 13.654 ( 11.068 -5.723 7.747) 14.672 14.548 ( -3.904 -3.999 -4.691) 7.296 14.921 ( 0.201 4.745 -2.883) 5.556 16.153 ( 2.061 5.518 4.604) 7.476 16.928 ( -15.826 -12.763 -12.129) 23.674 17.269 ( 3.959 -8.727 2.720) 9.962 17.559 ( 6.534 9.124 -7.818) 13.677 19.153 ( -6.642 -8.840 -0.579) 11.072 19.336 ( 6.556 12.560 2.429) 14.375 20.392 ( 3.455 2.867 4.283) 6.205 20.789 ( -0.954 -2.108 2.488) 3.398 21.041 ( -1.867 1.054 1.088) 2.404 ======================= Grid point 543 (266/294) ======================= q-point: ( 0.33 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.017 ( -7.970 12.794 7.332) 16.761 4.901 ( -6.286 4.374 16.940) 18.591 5.151 ( 9.987 -8.496 4.737) 13.941 5.825 ( -18.120 9.949 1.076) 20.699 6.760 ( -0.068 -3.071 -4.135) 5.151 6.949 ( 20.554 -13.644 -0.788) 24.683 7.772 ( -0.467 5.852 -11.579) 12.982 8.624 ( -3.381 -13.720 -14.261) 20.076 8.762 ( 1.342 5.781 3.078) 6.686 9.441 ( 3.494 -14.368 4.769) 15.537 9.796 ( 0.460 -3.009 6.298) 6.995 10.392 ( 16.693 2.081 -14.300) 22.079 10.876 ( 0.129 8.235 3.876) 9.103 11.186 ( -0.135 -2.914 -3.504) 4.560 11.536 ( -8.149 3.854 5.843) 10.743 12.206 ( 5.764 1.156 -3.945) 7.079 12.507 ( -6.050 -0.089 16.229) 17.320 12.858 ( -4.704 1.249 -6.175) 7.862 13.665 ( 4.795 2.139 -10.303) 11.564 14.553 ( 4.331 4.458 2.991) 6.898 14.817 ( -7.014 -1.999 6.880) 10.026 16.056 ( -10.948 8.954 0.261) 14.146 17.075 ( -2.090 -11.576 20.109) 23.297 17.316 ( -2.658 6.256 0.193) 6.800 17.403 ( 17.687 -9.146 -6.156) 20.841 18.904 ( 0.947 11.530 13.441) 17.734 19.565 ( -7.505 -9.125 -14.662) 18.829 20.364 ( -0.786 4.481 -5.301) 6.985 20.851 ( -2.092 -1.312 -0.798) 2.595 21.089 ( 5.112 -1.634 -2.917) 6.108 ======================= Grid point 544 (267/294) ======================= q-point: ( 0.42 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.108 ( -6.293 18.300 8.595) 21.175 4.898 ( -8.754 1.534 16.863) 19.062 5.279 ( 7.922 0.746 -1.121) 8.036 5.716 ( -6.969 8.373 3.669) 11.495 6.601 ( -6.025 -4.556 -8.149) 11.111 7.129 ( 11.049 -7.884 -6.107) 14.884 7.796 ( 11.455 -6.466 -4.845) 14.018 8.264 ( -3.984 -23.739 -12.807) 27.266 8.869 ( 0.621 7.825 0.321) 7.856 9.436 ( 7.459 -12.723 6.149) 15.979 9.854 ( 0.302 1.568 13.198) 13.294 10.491 ( -6.397 5.687 -1.403) 8.674 11.044 ( 0.575 -3.135 -1.063) 3.360 11.155 ( 14.389 7.496 -7.678) 17.949 11.502 ( -5.047 5.556 -0.708) 7.539 12.232 ( -8.146 -12.991 8.809) 17.684 12.428 ( 3.097 6.375 -4.286) 8.282 12.784 ( -3.349 0.995 -2.899) 4.540 13.821 ( 11.767 7.802 -7.942) 16.199 14.484 ( -14.363 -7.352 8.679) 18.321 14.814 ( 0.677 7.699 1.870) 7.952 15.990 ( -6.800 11.590 -3.201) 13.813 17.011 ( -3.482 -15.462 20.127) 25.618 17.352 ( -0.944 11.833 -6.742) 13.652 17.616 ( 18.779 -7.753 -2.549) 20.476 19.060 ( -8.714 13.318 5.268) 16.764 19.321 ( 1.838 -11.839 -2.399) 12.218 20.352 ( -2.146 4.552 -5.288) 7.300 20.811 ( -0.795 -2.565 1.906) 3.293 21.109 ( 3.571 -3.991 -4.904) 7.262 ======================= Grid point 545 (268/294) ======================= q-point: ( 0.50 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.185 ( -9.081 12.872 4.375) 16.349 4.898 ( -2.906 1.537 13.047) 13.455 5.400 ( 2.856 9.812 -6.333) 12.022 5.778 ( 0.672 6.660 5.205) 8.480 6.450 ( -0.599 -1.625 -6.415) 6.644 7.079 ( -3.172 -1.843 -10.476) 11.100 7.893 ( 0.864 -17.669 -3.439) 18.022 8.023 ( 21.607 -21.614 -1.505) 30.599 8.919 ( -3.008 7.185 -1.641) 7.960 9.492 ( 6.938 -11.557 7.869) 15.609 9.979 ( 1.769 -1.075 18.166) 18.284 10.341 ( -13.375 0.994 2.869) 13.715 10.911 ( -7.707 -2.548 -4.054) 9.073 11.403 ( -7.003 4.227 -6.718) 10.585 11.545 ( 18.231 11.284 -7.875) 22.841 11.978 ( -8.679 -7.029 1.840) 11.319 12.535 ( 0.804 -2.824 1.241) 3.188 12.800 ( 8.165 5.991 -5.507) 11.528 13.950 ( -3.389 -4.242 1.009) 5.522 14.248 ( -8.080 6.505 -0.028) 10.373 14.922 ( 3.809 2.560 2.459) 5.207 16.016 ( -2.116 13.882 -5.688) 15.151 16.931 ( -2.403 -13.870 18.722) 23.423 17.410 ( -1.699 13.369 -8.503) 15.935 17.810 ( 15.739 -10.425 -4.809) 19.481 18.902 ( -10.885 5.043 -10.925) 16.226 19.405 ( 4.214 -2.308 16.774) 17.449 20.317 ( -3.296 3.847 -4.060) 6.492 20.798 ( 0.181 -2.723 4.033) 4.869 21.082 ( 2.301 -4.991 -5.067) 7.476 ======================= Grid point 546 (269/294) ======================= q-point: ( 0.58 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.126 ( -8.502 6.171 0.616) 10.523 4.949 ( 1.423 -1.761 4.082) 4.668 5.449 ( -1.409 3.946 -10.525) 11.328 5.894 ( -1.248 17.087 1.164) 17.172 6.533 ( 12.186 -1.251 1.651) 12.361 6.928 ( -5.241 -0.616 -7.991) 9.576 7.693 ( -2.011 -12.225 -0.235) 12.392 8.251 ( 22.054 -17.785 4.566) 28.697 8.896 ( -5.063 5.839 -2.828) 8.229 9.502 ( 1.959 -14.088 10.700) 17.799 10.027 ( -4.868 -11.721 15.065) 19.699 10.150 ( -12.291 0.737 6.295) 13.829 10.736 ( -2.793 -1.257 -4.829) 5.719 11.328 ( -2.382 10.032 -11.046) 15.111 11.802 ( -1.993 2.279 -4.465) 5.395 11.906 ( 10.000 5.062 -2.031) 11.391 12.480 ( -0.388 -5.698 3.162) 6.528 12.999 ( 8.127 7.867 -8.435) 14.110 13.716 ( -15.680 -4.566 9.463) 18.875 14.308 ( 5.778 4.586 -6.444) 9.795 14.997 ( 2.239 -0.561 -0.076) 2.309 16.098 ( -0.229 12.343 -4.950) 13.301 16.911 ( 1.440 -9.336 16.228) 18.777 17.444 ( -2.712 12.054 -8.969) 15.267 17.809 ( 2.619 -13.993 -11.732) 18.448 18.798 ( 1.340 5.576 -9.905) 11.446 19.527 ( -1.936 -0.008 18.542) 18.643 20.282 ( -2.283 2.989 -1.371) 4.003 20.807 ( 0.214 -2.400 5.355) 5.872 21.044 ( 1.945 -3.797 -3.795) 5.710 ======================= Grid point 548 (270/294) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.089 ( -0.465 3.475 -0.735) 3.582 4.945 ( 2.490 -6.834 -2.727) 7.768 5.310 ( -4.370 -2.226 -14.423) 15.234 6.087 ( -1.619 23.461 -0.135) 23.517 6.633 ( 4.699 -16.591 -2.828) 17.474 6.873 ( -0.859 5.066 -1.353) 5.313 7.627 ( -0.203 1.777 8.108) 8.303 8.443 ( 10.480 -7.334 9.002) 15.642 8.836 ( -5.445 2.056 -1.236) 5.950 9.445 ( 1.838 -14.104 8.685) 16.665 9.761 ( -8.514 -18.291 0.971) 20.199 10.058 ( -5.598 -1.984 10.200) 11.803 10.778 ( 7.141 -1.436 -0.052) 7.284 11.351 ( -2.372 13.617 -8.333) 16.140 11.737 ( -2.161 4.163 -7.081) 8.494 12.092 ( 2.761 5.851 2.825) 7.060 12.505 ( 9.459 -6.490 -0.787) 11.498 13.048 ( -5.278 7.998 -8.743) 12.971 13.549 ( -6.838 -1.811 10.177) 12.394 14.417 ( 8.272 -1.367 -2.479) 8.743 14.977 ( -1.241 -0.907 -5.462) 5.674 16.162 ( -0.632 5.364 -0.423) 5.418 17.000 ( 6.837 -5.022 11.305) 14.134 17.415 ( -8.529 0.264 -5.310) 10.051 17.542 ( -4.144 -3.204 -21.969) 22.585 18.898 ( 10.040 3.060 -9.366) 14.068 19.559 ( -8.267 2.324 17.997) 19.941 20.299 ( 1.084 2.303 2.034) 3.258 20.816 ( -0.440 -2.819 5.922) 6.573 21.039 ( 1.874 0.021 -2.023) 2.757 ======================= Grid point 549 (271/294) ======================= q-point: (-0.25 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.174 ( 9.020 -1.279 -0.342) 9.117 4.860 ( 3.486 -13.296 -8.560) 16.193 5.164 ( -3.157 3.314 -11.860) 12.713 6.237 ( -5.316 18.058 0.219) 18.826 6.392 ( -6.558 -25.527 -2.890) 26.514 6.835 ( -5.733 7.978 -6.063) 11.545 7.865 ( 9.213 12.708 15.950) 22.378 8.520 ( -12.624 2.921 18.161) 22.310 8.777 ( 3.482 -1.580 -3.056) 4.895 9.318 ( -10.532 -4.099 -1.629) 11.418 9.620 ( 18.873 -25.392 -2.387) 31.727 10.031 ( -0.046 -5.251 9.694) 11.025 10.847 ( 5.148 -6.989 0.991) 8.737 11.414 ( -3.917 18.492 -4.584) 19.451 11.726 ( -0.647 6.173 -7.821) 9.984 12.152 ( -3.083 0.953 4.598) 5.617 12.604 ( 9.638 -2.837 -9.239) 13.649 12.960 ( -7.447 7.877 0.696) 10.862 13.555 ( 1.623 -1.821 9.482) 9.791 14.490 ( 3.431 -4.790 -0.701) 5.933 14.912 ( 0.098 0.430 -7.266) 7.280 16.185 ( 0.581 -1.633 3.956) 4.319 16.986 ( -14.530 -15.654 -9.754) 23.480 17.148 ( 4.470 -1.058 -4.202) 6.226 17.513 ( 2.266 9.480 -9.457) 13.581 19.007 ( 6.964 -1.367 -9.318) 11.712 19.555 ( -7.746 6.508 15.992) 18.924 20.379 ( 3.525 1.614 4.130) 5.665 20.806 ( -1.113 -3.604 5.372) 6.564 21.079 ( 0.760 4.796 -0.828) 4.926 ======================= Grid point 641 (272/294) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( -0.000 0.000 31.583) 31.583 2.827 ( -0.000 0.000 31.583) 31.583 4.898 ( -0.000 0.000 46.259) 46.259 5.871 ( -0.000 0.000 1.091) 1.091 6.673 ( 0.000 -0.000 -24.746) 24.746 6.673 ( 0.000 -0.000 -24.746) 24.746 8.041 ( 0.000 -0.000 -12.000) 12.000 9.734 ( -0.000 0.000 7.373) 7.373 9.734 ( -0.000 0.000 7.373) 7.373 10.320 ( -0.000 0.000 3.074) 3.074 10.320 ( -0.000 0.000 3.074) 3.074 10.711 ( -0.000 0.000 12.761) 12.761 10.711 ( -0.000 0.000 12.761) 12.761 11.366 ( 0.000 0.000 -0.777) 0.777 11.366 ( 0.000 0.000 -0.777) 0.777 11.456 ( 0.000 -0.000 -14.849) 14.849 12.178 ( 0.000 -0.000 -1.254) 1.254 13.218 ( 0.000 -0.000 -1.207) 1.207 13.669 ( -0.000 0.000 2.879) 2.879 13.669 ( -0.000 0.000 2.879) 2.879 14.403 ( 0.000 -0.000 -11.452) 11.452 14.403 ( 0.000 -0.000 -11.452) 11.452 17.381 ( 0.000 -0.000 -1.567) 1.567 17.614 ( -0.000 0.000 12.720) 12.720 17.614 ( -0.000 0.000 12.720) 12.720 18.750 ( -0.000 0.000 1.095) 1.095 20.192 ( 0.000 -0.000 -6.956) 6.956 20.192 ( 0.000 -0.000 -6.956) 6.956 20.851 ( -0.000 0.000 7.421) 7.421 21.499 ( 0.000 -0.000 -5.078) 5.078 ======================= Grid point 642 (273/294) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( -1.750 7.762 29.012) 30.084 3.345 ( 22.952 7.444 24.189) 34.166 5.120 ( -2.823 -1.511 31.329) 31.492 5.851 ( -2.840 -0.826 1.662) 3.393 6.494 ( 5.420 -0.092 -14.213) 15.212 6.699 ( 7.533 4.217 -23.493) 25.029 7.996 ( 2.488 1.015 -8.095) 8.529 9.524 ( -15.981 -10.070 7.642) 20.376 9.779 ( -7.905 -3.215 2.610) 8.924 10.276 ( -8.693 -3.094 15.798) 18.295 10.333 ( -8.520 -6.497 1.205) 10.782 10.440 ( 0.096 4.143 -0.152) 4.147 10.928 ( -11.136 -14.031 -0.195) 17.914 11.231 ( 7.635 12.921 9.332) 17.673 11.392 ( 6.502 4.052 -10.823) 13.260 11.696 ( 13.189 4.107 -3.028) 14.142 12.153 ( -1.803 -3.478 -1.799) 4.311 13.131 ( -5.568 -2.576 -0.554) 6.160 13.676 ( 4.939 -1.289 1.996) 5.481 13.902 ( 10.981 4.576 3.240) 12.329 14.242 ( -3.535 11.308 -8.774) 14.743 14.613 ( 18.871 3.250 -10.862) 22.015 17.244 ( -7.650 -5.479 0.252) 9.413 17.618 ( -7.312 2.611 12.350) 14.588 17.856 ( 12.770 1.712 9.572) 16.051 18.692 ( -5.968 -3.397 0.009) 6.867 20.086 ( -6.931 2.149 -6.091) 9.474 20.173 ( 3.101 -3.020 -6.723) 7.996 20.882 ( -1.165 -0.558 6.956) 7.075 21.458 ( -0.701 -1.319 -5.484) 5.684 ======================= Grid point 643 (274/294) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( 4.484 13.294 22.288) 26.336 3.964 ( 24.175 10.040 18.769) 32.211 5.157 ( -3.148 -1.672 8.776) 9.472 5.781 ( -6.031 -0.877 3.117) 6.846 6.648 ( 14.412 0.794 -2.246) 14.607 6.727 ( 7.801 2.119 -19.871) 21.452 8.093 ( 9.883 5.200 -1.107) 11.222 9.066 ( -27.950 -17.022 7.626) 33.603 9.505 ( -15.471 -9.629 -0.148) 18.224 10.053 ( -8.006 -7.164 5.997) 12.304 10.217 ( -14.801 0.020 0.052) 14.801 10.472 ( -4.916 10.669 3.174) 12.168 10.813 ( 8.314 -6.304 -0.014) 10.434 11.255 ( -4.972 0.788 -5.482) 7.443 11.579 ( 4.119 -3.904 -7.901) 9.727 11.883 ( 8.969 5.741 5.065) 11.792 12.161 ( 7.513 -0.012 2.925) 8.063 13.002 ( -6.956 -1.861 -1.605) 7.377 13.753 ( 1.535 1.721 -2.130) 3.139 14.033 ( 11.974 -7.861 -1.454) 14.397 14.480 ( 4.319 28.370 2.945) 28.848 14.956 ( 25.140 1.630 -6.442) 26.003 17.080 ( -5.525 -3.931 0.022) 6.781 17.572 ( -8.826 1.481 10.907) 14.108 18.146 ( 11.945 2.167 7.918) 14.494 18.482 ( -11.371 -7.485 -0.856) 13.640 19.939 ( -8.646 3.314 -6.577) 11.357 20.173 ( 4.532 -2.270 -5.655) 7.594 20.887 ( -1.868 -0.706 5.680) 6.021 21.376 ( -2.430 -3.493 -5.485) 6.942 ======================= Grid point 644 (275/294) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.586 ( 8.578 12.647 14.373) 20.979 4.554 ( 18.426 11.298 20.996) 30.133 5.153 ( 4.295 0.553 -8.592) 9.622 5.684 ( -7.749 -0.183 7.524) 10.802 6.759 ( 3.982 4.576 -12.062) 13.502 6.851 ( 14.713 -7.493 -6.580) 17.774 8.381 ( -1.549 2.664 8.849) 9.370 8.433 ( -15.076 -12.118 1.273) 19.384 9.116 ( -16.018 -12.390 -3.209) 20.503 9.904 ( -8.238 -6.825 4.459) 11.591 10.008 ( -11.148 8.711 -2.682) 14.399 10.495 ( -5.620 10.365 4.274) 12.542 10.848 ( 0.746 -10.889 -12.319) 16.459 11.121 ( 1.830 -7.302 0.700) 7.560 11.509 ( -3.517 6.474 -4.201) 8.481 12.052 ( 10.646 -12.677 1.481) 16.620 12.417 ( 6.525 13.444 11.814) 19.050 12.848 ( -5.478 -3.229 -3.498) 7.257 13.724 ( -3.604 4.896 -8.850) 10.737 14.205 ( 15.211 -9.451 4.736) 18.524 14.805 ( 2.260 19.830 3.252) 20.222 15.399 ( 24.561 6.323 0.675) 25.371 17.015 ( 0.734 0.199 -0.349) 0.837 17.481 ( -8.615 -1.659 7.569) 11.587 18.086 ( -19.275 -3.748 -1.016) 19.662 18.478 ( 13.778 -3.311 9.163) 16.874 19.790 ( -7.709 4.223 -9.251) 12.761 20.208 ( 4.814 -0.827 -4.345) 6.538 20.879 ( -1.662 -0.412 3.434) 3.838 21.247 ( -4.230 -4.867 -4.405) 7.809 ======================= Grid point 645 (276/294) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.908 ( 8.625 8.606 7.146) 14.125 4.948 ( 2.745 1.584 17.509) 17.793 5.237 ( 6.386 5.543 -5.814) 10.262 5.696 ( 5.928 6.603 5.800) 10.601 6.800 ( 1.175 4.709 -4.313) 6.492 6.880 ( 5.355 -14.703 -7.227) 17.236 7.838 ( -20.478 -9.740 0.922) 22.695 8.692 ( 2.681 1.207 2.625) 3.941 8.736 ( -6.091 -6.536 -5.913) 10.713 9.696 ( -11.407 -3.509 0.435) 11.943 9.948 ( -7.697 9.327 -1.165) 12.149 10.370 ( -14.465 -6.069 -15.152) 21.810 10.723 ( 7.443 -2.810 -0.176) 7.958 11.148 ( 4.277 -4.075 5.799) 8.278 11.589 ( 1.243 11.842 3.217) 12.334 12.060 ( 5.605 -10.429 -1.458) 11.929 12.604 ( -2.391 -4.232 8.727) 9.989 12.828 ( 5.639 7.836 1.835) 9.827 13.644 ( -5.079 6.046 -10.459) 13.105 14.366 ( 10.482 -9.397 4.937) 14.918 14.954 ( -1.713 7.043 3.172) 7.912 15.868 ( 18.552 9.475 3.975) 21.207 17.094 ( 5.217 2.943 -4.461) 7.468 17.347 ( -4.723 -6.096 4.275) 8.817 17.725 ( -21.385 0.042 8.053) 22.851 18.725 ( 12.331 -4.705 9.773) 16.423 19.655 ( -5.679 5.796 -13.609) 15.844 20.258 ( 4.009 0.064 -3.238) 5.154 20.866 ( -0.849 0.021 -0.745) 1.130 21.104 ( -4.330 -4.646 -1.467) 6.518 ======================= Grid point 654 (277/294) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.196 ( 11.310 9.796 26.015) 30.011 3.405 ( -9.411 15.925 19.301) 26.734 5.310 ( 0.900 -4.839 24.794) 25.278 5.868 ( 0.732 -1.507 2.040) 2.640 6.287 ( -3.229 -4.015 -14.778) 15.651 6.658 ( -0.006 16.455 -18.142) 24.493 7.953 ( -0.272 3.291 -5.366) 6.301 9.605 ( -0.873 -14.017 6.860) 15.630 9.785 ( 1.368 -11.155 0.879) 11.273 10.313 ( 0.138 -3.031 2.532) 3.952 10.341 ( -0.283 -11.952 9.944) 15.550 10.483 ( 2.950 -5.785 4.812) 8.082 10.970 ( -2.024 -12.195 -8.897) 15.231 11.178 ( -4.931 1.420 9.488) 10.787 11.339 ( 8.780 3.021 -7.259) 11.786 11.594 ( -2.880 13.485 0.663) 13.805 12.272 ( -2.208 10.572 -3.820) 11.455 13.119 ( 0.484 -7.447 -0.180) 7.465 13.641 ( -3.761 -2.658 3.331) 5.684 13.971 ( -1.039 16.560 6.607) 17.859 14.188 ( 10.873 3.724 -12.040) 16.645 14.556 ( -6.150 20.447 -10.416) 23.757 17.225 ( -0.580 -11.429 0.953) 11.483 17.717 ( 6.792 -3.735 9.480) 12.245 17.889 ( -6.175 10.984 8.959) 15.461 18.706 ( -0.006 -5.274 -0.141) 5.276 20.029 ( 3.708 -7.099 -4.767) 9.320 20.146 ( -2.731 1.898 -6.175) 7.013 20.920 ( 0.097 -1.831 6.618) 6.868 21.427 ( -0.616 -1.151 -5.397) 5.553 ======================= Grid point 655 (278/294) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.524 ( -5.240 17.464 14.645) 23.386 3.769 ( 22.626 15.067 15.117) 31.104 5.304 ( -7.490 -4.633 9.426) 12.900 5.864 ( -1.911 -0.206 2.743) 3.349 6.264 ( 11.111 -3.370 -7.306) 13.718 6.727 ( 1.406 12.630 -10.081) 16.220 8.024 ( 5.261 8.352 -0.246) 9.874 9.330 ( -17.907 -18.341 7.002) 26.572 9.561 ( -7.904 -21.108 -2.129) 22.640 10.099 ( -6.317 -15.939 4.182) 17.648 10.369 ( -8.349 -3.371 -2.267) 9.285 10.510 ( 9.667 -1.240 8.960) 13.239 10.774 ( -7.751 5.633 -7.778) 12.341 11.273 ( 13.765 -9.289 2.218) 16.753 11.401 ( 0.466 -2.593 -3.374) 4.281 11.781 ( -0.201 14.182 1.397) 14.252 12.258 ( -2.173 8.920 -0.116) 9.182 13.032 ( -2.660 -5.780 -1.415) 6.518 13.671 ( 8.858 -5.248 5.184) 11.527 14.028 ( -10.003 16.218 -4.205) 19.513 14.541 ( 23.552 7.305 -5.316) 25.226 14.699 ( 2.178 26.819 -2.652) 27.037 17.089 ( -2.964 -9.195 1.174) 9.732 17.747 ( -4.221 -3.154 5.135) 7.357 18.050 ( 7.062 6.993 9.013) 13.417 18.578 ( -7.548 -6.863 -1.056) 10.257 19.979 ( 0.400 -6.699 -7.228) 9.863 20.090 ( -0.940 2.463 -2.547) 3.666 20.930 ( -0.875 -2.367 5.383) 5.946 21.352 ( -2.131 -3.203 -4.362) 5.816 ======================= Grid point 656 (279/294) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.715 ( 2.142 14.197 7.012) 15.979 4.410 ( 23.600 19.499 9.965) 32.194 5.158 ( -7.011 -2.835 -0.690) 7.594 5.837 ( -4.293 0.640 4.470) 6.230 6.396 ( 12.600 -4.431 -7.207) 15.177 6.821 ( 2.006 7.142 -1.445) 7.558 8.293 ( 11.963 12.403 3.015) 17.494 8.772 ( -27.998 -20.828 6.881) 35.567 9.144 ( -11.219 -26.031 -2.813) 28.485 9.905 ( -3.403 -11.312 0.815) 11.841 10.218 ( -6.720 3.032 -1.596) 7.543 10.581 ( 4.886 -10.589 -10.852) 15.930 10.763 ( -6.024 12.470 4.418) 14.536 11.231 ( -12.155 1.993 -4.472) 13.104 11.428 ( 12.586 -10.378 5.934) 17.358 11.859 ( 0.940 6.263 -2.970) 6.994 12.459 ( 9.486 7.918 8.915) 15.237 12.881 ( -6.501 -6.464 -3.388) 9.773 13.848 ( 8.184 -1.181 5.836) 10.121 13.983 ( -5.571 13.012 -6.231) 15.465 14.835 ( 11.664 5.477 -7.024) 14.676 15.173 ( 17.302 23.439 6.996) 29.961 17.002 ( -0.242 -2.298 0.300) 2.330 17.613 ( -8.649 -5.325 -0.029) 10.157 18.257 ( 3.944 -11.815 4.292) 13.175 18.381 ( -6.213 8.475 5.206) 11.727 19.835 ( -3.710 -4.108 -10.424) 11.802 20.129 ( 2.842 2.095 -0.041) 3.531 20.912 ( -1.485 -2.324 2.940) 4.031 21.245 ( -3.484 -4.659 -2.200) 6.220 ======================= Grid point 657 (280/294) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.944 ( 5.063 12.789 2.958) 14.069 5.023 ( 9.270 7.291 -17.551) 21.146 5.042 ( 9.437 8.129 20.417) 23.916 5.792 ( -4.230 1.510 3.816) 5.894 6.501 ( 11.126 -6.899 -6.312) 14.533 6.896 ( -1.176 4.594 3.996) 6.201 8.120 ( -25.384 -17.169 3.526) 30.847 8.630 ( 3.441 -10.070 -1.041) 10.692 8.717 ( -3.468 -5.719 1.547) 6.865 9.747 ( -4.284 -8.845 -2.788) 10.216 10.162 ( -6.429 8.020 -1.086) 10.336 10.392 ( -4.636 -10.475 -22.392) 25.152 10.730 ( -7.511 8.375 3.428) 11.761 11.159 ( -2.088 4.919 8.157) 9.751 11.605 ( 12.078 -2.566 6.287) 13.856 11.897 ( 0.436 0.692 -1.388) 1.611 12.656 ( -7.412 -5.168 -0.563) 9.054 12.764 ( 11.363 0.595 6.850) 13.282 13.840 ( -11.555 14.562 -7.639) 20.098 14.133 ( 12.438 -3.832 6.126) 14.385 14.978 ( 4.570 1.504 -3.059) 5.701 15.706 ( 17.536 14.982 7.277) 24.185 17.052 ( 2.622 6.959 -4.857) 8.882 17.374 ( -7.327 -9.568 -1.263) 12.117 18.034 ( -11.431 -9.630 6.330) 16.232 18.590 ( 7.482 5.872 8.970) 13.073 19.669 ( -3.357 -2.110 -13.973) 14.525 20.206 ( 2.840 2.956 0.823) 4.181 20.872 ( -1.555 -1.915 -1.059) 2.685 21.129 ( -4.150 -4.797 1.087) 6.435 ======================= Grid point 667 (281/294) ======================= q-point: ( 0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( 2.128 9.387 22.086) 24.092 3.912 ( -16.643 18.307 12.625) 27.776 5.267 ( 6.822 -5.307 7.710) 11.583 5.827 ( 3.714 -2.325 3.564) 5.648 6.378 ( -13.961 -1.391 -7.799) 16.053 6.760 ( -3.068 18.798 -13.381) 23.277 8.033 ( -5.383 9.048 -0.776) 10.557 9.341 ( 17.353 -19.761 7.013) 27.218 9.555 ( 6.642 -18.590 -2.159) 19.859 10.194 ( 15.600 -11.920 -1.751) 19.711 10.265 ( 1.284 -11.191 6.434) 12.972 10.324 ( 1.292 -6.987 8.627) 11.177 10.848 ( -2.743 0.952 -3.153) 4.286 11.285 ( -0.444 7.545 -5.386) 9.281 11.525 ( -16.605 -10.587 2.315) 19.828 11.656 ( 1.539 11.860 -0.285) 11.963 12.369 ( 3.459 16.808 -3.828) 17.582 12.999 ( 3.553 -8.800 0.386) 9.498 13.796 ( -5.657 5.069 2.031) 7.863 14.010 ( -4.597 -3.577 -7.171) 9.239 14.244 ( -1.728 19.044 6.378) 20.158 14.897 ( -13.399 25.131 -8.825) 29.816 17.099 ( 2.821 -9.243 0.773) 9.695 17.624 ( 4.798 -7.160 9.771) 13.029 18.164 ( -6.748 11.755 5.067) 14.470 18.577 ( 6.693 -7.703 -0.822) 10.237 19.861 ( 3.623 -9.962 -2.196) 10.826 20.164 ( -1.395 3.034 -5.686) 6.595 20.924 ( 1.083 -2.748 5.480) 6.225 21.377 ( 1.214 -1.657 -5.655) 6.017 ======================= Grid point 668 (282/294) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.633 ( 7.998 10.117 5.942) 14.200 3.973 ( -5.447 25.137 14.370) 29.463 5.319 ( 2.109 -7.183 0.443) 7.499 5.873 ( 0.156 -1.775 1.439) 2.290 6.217 ( -2.548 5.724 2.290) 6.671 6.785 ( -2.203 11.341 -10.240) 15.438 8.091 ( -0.611 13.419 1.481) 13.514 9.302 ( 3.940 -32.183 -1.840) 32.475 9.373 ( -3.958 -19.401 3.186) 20.055 10.094 ( -6.587 -9.318 0.528) 11.423 10.283 ( 7.062 -16.166 1.620) 17.715 10.482 ( 7.850 2.989 6.677) 10.730 10.732 ( -2.065 -10.232 -1.228) 10.510 11.166 ( -3.955 0.557 -0.631) 4.043 11.375 ( -4.157 5.015 -0.996) 6.590 11.925 ( 10.421 11.651 2.977) 15.913 12.421 ( -10.049 13.055 -7.791) 18.224 12.966 ( 2.112 -8.218 0.423) 8.495 13.597 ( -5.495 -5.138 3.637) 8.356 14.222 ( 16.912 10.471 -9.208) 21.919 14.417 ( -7.553 19.689 6.750) 22.142 14.945 ( -3.832 28.904 -6.603) 29.896 17.030 ( -0.244 -9.612 2.574) 9.954 17.688 ( 5.012 -7.968 4.868) 10.598 18.197 ( -6.551 10.169 4.383) 12.866 18.552 ( 1.883 -7.411 -2.399) 8.014 19.824 ( 3.388 -9.779 -1.045) 10.401 20.129 ( -1.886 2.728 -3.752) 5.008 20.936 ( 0.270 -3.503 4.448) 5.668 21.323 ( -0.925 -3.383 -4.105) 5.399 ======================= Grid point 669 (283/294) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.779 ( 3.880 9.215 -6.215) 11.773 4.413 ( 10.816 28.421 12.456) 32.861 5.212 ( -4.096 -5.152 -5.577) 8.627 5.838 ( 0.758 -3.702 -2.677) 4.631 6.339 ( -0.614 8.355 9.162) 12.415 6.833 ( 3.391 6.489 -1.445) 7.463 8.292 ( 5.714 15.469 2.562) 16.688 8.908 ( -6.362 -34.890 -6.478) 36.052 9.038 ( -15.805 -22.945 8.057) 29.003 9.888 ( -7.214 -8.206 -0.372) 10.933 10.205 ( 3.011 -12.228 -1.962) 12.745 10.456 ( -5.645 0.238 -8.156) 9.922 10.860 ( 16.538 -3.148 8.224) 18.736 11.190 ( -4.543 0.320 5.889) 7.445 11.332 ( 1.330 0.190 -4.463) 4.661 12.115 ( -9.694 16.779 -0.281) 19.380 12.369 ( 5.511 2.763 -0.054) 6.165 12.893 ( -2.950 -5.455 -2.895) 6.845 13.629 ( 10.172 -5.311 6.211) 13.048 14.392 ( -15.530 22.387 -3.953) 27.532 14.570 ( 16.179 5.424 -5.859) 18.041 15.258 ( 7.933 26.227 2.662) 27.529 16.977 ( 0.795 -3.464 2.855) 4.559 17.650 ( -2.893 -7.257 -2.498) 8.202 18.134 ( -2.792 -10.417 0.928) 10.824 18.563 ( -0.274 8.837 3.060) 9.356 19.737 ( -0.427 -9.549 -5.484) 11.020 20.138 ( 0.704 3.483 0.795) 3.641 20.918 ( -0.765 -3.452 2.183) 4.155 21.241 ( -2.182 -4.644 -0.885) 5.207 ======================= Grid point 670 (284/294) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.948 ( 8.502 11.998 -6.209) 15.963 4.888 ( 8.472 20.839 -10.626) 24.879 5.108 ( 1.392 0.035 9.052) 9.158 5.792 ( 1.425 -4.482 -5.718) 7.403 6.416 ( -2.188 4.848 6.253) 8.209 6.983 ( 2.211 6.020 8.970) 11.027 8.367 ( -18.539 -24.310 -1.842) 30.628 8.426 ( -5.248 -19.583 1.318) 20.316 8.729 ( 2.291 2.163 5.187) 6.069 9.701 ( -4.318 -9.349 -2.118) 10.513 10.119 ( 3.082 -10.908 -10.784) 15.646 10.359 ( -4.250 6.898 -6.732) 10.534 10.990 ( -11.480 6.311 1.137) 13.149 11.220 ( 16.222 -6.290 7.887) 19.103 11.375 ( 1.713 0.108 4.316) 4.645 12.066 ( -11.056 15.314 -2.348) 19.033 12.551 ( 11.997 -7.521 3.439) 14.571 12.744 ( -6.268 -1.256 -1.621) 6.595 13.841 ( 14.088 -5.882 8.127) 17.295 14.281 ( -16.627 20.558 -7.530) 27.492 14.818 ( 11.708 1.511 -4.605) 12.671 15.667 ( 11.135 17.142 5.937) 21.286 17.054 ( 4.265 7.741 -0.465) 8.850 17.409 ( -10.601 -9.222 -7.048) 15.719 17.975 ( 0.546 -18.734 2.194) 18.870 18.717 ( -0.052 14.797 7.296) 16.498 19.576 ( -1.978 -8.372 -10.505) 13.578 20.216 ( 2.197 4.126 3.309) 5.727 20.870 ( -1.734 -2.748 -1.079) 3.424 21.156 ( -2.997 -4.979 2.881) 6.486 ======================= Grid point 680 (285/294) ======================= q-point: ( 0.42 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.560 ( -5.896 10.271 16.928) 20.659 4.448 ( -19.116 16.016 10.233) 26.957 5.160 ( 3.844 -0.493 -1.635) 4.206 5.752 ( 5.083 -3.284 6.133) 8.616 6.524 ( -11.089 -1.542 -9.712) 14.821 6.922 ( -3.732 15.085 -10.977) 19.026 8.296 ( -10.711 13.076 2.088) 17.031 8.783 ( 27.893 -22.441 7.074) 36.492 9.175 ( 10.774 -22.308 -6.662) 25.653 9.885 ( 4.725 -12.221 -0.771) 13.126 10.089 ( 12.506 -7.580 10.456) 17.978 10.343 ( -6.006 -5.426 4.200) 9.119 10.971 ( -2.302 8.311 -2.966) 9.120 11.299 ( 7.497 9.323 -3.240) 12.395 11.347 ( 2.857 -9.478 -8.967) 13.357 12.042 ( -23.070 -0.039 7.117) 24.143 12.400 ( 8.033 13.064 -2.860) 15.600 12.859 ( 3.102 -7.514 0.623) 8.153 13.755 ( 9.332 7.857 -7.404) 14.270 14.304 ( -25.052 -3.222 4.860) 25.722 14.467 ( -1.652 14.159 5.583) 15.309 15.329 ( -13.785 22.734 -4.723) 27.003 17.007 ( 0.483 -2.407 -0.098) 2.457 17.532 ( 3.566 -9.275 9.327) 13.628 18.175 ( 13.035 -7.434 -3.157) 15.335 18.554 ( -7.040 9.037 4.525) 12.317 19.693 ( 3.621 -10.305 -1.122) 10.980 20.193 ( -1.855 3.839 -4.843) 6.453 20.902 ( 1.414 -2.915 3.533) 4.794 21.282 ( 3.582 -2.738 -5.014) 6.742 ======================= Grid point 681 (286/294) ======================= q-point: ( 0.50 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( -0.684 11.941 7.030) 13.873 4.416 ( -10.915 23.287 8.516) 27.091 5.193 ( 3.244 -3.699 -4.126) 6.421 5.846 ( 2.904 -1.849 3.722) 5.070 6.341 ( -4.027 4.734 -1.683) 6.439 6.891 ( -5.355 8.029 -9.056) 13.234 8.313 ( -5.873 16.716 1.103) 17.752 8.860 ( 7.866 -33.192 -1.486) 34.144 9.105 ( 13.108 -22.883 0.116) 26.372 9.910 ( 10.625 -11.229 -0.282) 15.461 10.196 ( -6.151 -3.109 1.118) 6.982 10.325 ( 11.643 -8.661 16.525) 21.992 10.829 ( -12.534 -2.246 -2.514) 12.980 11.227 ( -6.204 -2.270 -3.627) 7.536 11.521 ( 3.954 7.179 -3.942) 9.095 11.828 ( 0.166 5.137 0.365) 5.153 12.606 ( 1.760 14.411 -6.971) 16.105 12.832 ( 3.230 -9.923 2.061) 10.637 13.832 ( -23.470 -4.808 5.515) 24.584 14.014 ( 13.882 11.151 -7.579) 19.352 14.696 ( 0.937 16.423 7.703) 18.164 15.314 ( -11.055 26.939 -8.105) 30.226 16.979 ( -0.848 -3.902 2.990) 4.989 17.547 ( 4.451 -10.492 5.830) 12.802 18.332 ( 12.953 -6.328 -3.962) 14.950 18.457 ( -11.968 7.247 -1.335) 14.054 19.685 ( 3.809 -9.198 5.342) 11.298 20.165 ( -1.980 3.285 -3.850) 5.435 20.911 ( 1.053 -3.702 3.054) 4.914 21.260 ( 1.287 -4.282 -3.854) 5.903 ======================= Grid point 682 (287/294) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.789 ( -1.224 9.822 -7.140) 12.204 4.674 ( 1.488 29.279 10.529) 31.150 5.137 ( 0.387 -4.154 -9.867) 10.712 5.798 ( -2.826 -4.044 -4.009) 6.357 6.505 ( 4.369 10.841 13.009) 17.489 6.836 ( -0.654 4.122 -3.789) 5.637 8.426 ( 0.419 13.988 0.818) 14.018 8.537 ( -1.380 -34.357 -6.116) 34.924 9.035 ( -0.552 -21.139 5.009) 21.731 9.956 ( 6.026 -8.802 -1.951) 10.844 9.996 ( -10.091 -8.951 -0.228) 13.491 10.510 ( 0.096 -17.879 14.124) 22.785 10.614 ( 3.236 5.483 0.218) 6.371 11.191 ( 5.542 3.750 -6.405) 9.263 11.474 ( -11.799 5.391 0.480) 12.981 12.055 ( 15.018 1.406 0.465) 15.091 12.620 ( -11.712 16.231 -8.584) 21.778 12.805 ( 3.559 -8.647 0.225) 9.353 13.577 ( -6.107 -3.023 6.891) 9.691 14.312 ( 15.237 8.199 -6.639) 18.533 14.815 ( -9.231 13.422 2.321) 16.454 15.443 ( -0.093 27.570 -4.249) 27.895 16.964 ( 0.027 -1.038 4.989) 5.096 17.543 ( 3.770 -9.535 0.183) 10.255 18.138 ( -10.307 -13.492 -6.088) 18.037 18.589 ( 7.959 11.616 -2.047) 14.229 19.656 ( -1.507 -8.830 4.882) 10.201 20.167 ( 0.190 3.507 -0.001) 3.512 20.900 ( 0.097 -3.469 1.608) 3.825 21.208 ( 0.030 -5.251 -0.742) 5.303 ======================= Grid point 684 (288/294) ======================= q-point: (-0.33 -0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.871 ( 6.016 12.254 -10.416) 17.171 4.966 ( -2.034 16.866 -18.602) 25.192 5.115 ( 5.309 4.393 12.500) 14.274 5.694 ( -0.339 -2.546 -7.404) 7.837 6.618 ( -6.783 6.753 7.756) 12.320 7.015 ( 8.960 5.058 11.315) 15.293 8.104 ( -3.670 -34.752 -5.617) 35.394 8.581 ( -3.784 6.358 2.492) 7.807 8.767 ( -7.416 -11.942 7.160) 15.776 9.714 ( -9.860 -10.774 -2.146) 14.761 9.922 ( 2.267 -6.098 -7.652) 10.043 10.413 ( 0.419 -1.277 1.859) 2.294 10.867 ( 16.205 -4.485 7.366) 18.356 11.232 ( -6.761 -4.834 1.456) 8.438 11.382 ( 0.129 10.946 -2.535) 11.236 12.274 ( 11.454 -4.441 3.216) 12.699 12.477 ( -16.191 14.428 -8.183) 23.179 12.779 ( 0.225 -2.476 -0.627) 2.564 13.623 ( 8.717 -4.299 8.290) 12.775 14.580 ( 11.019 3.709 -4.793) 12.575 14.719 ( -12.843 13.243 -4.797) 19.061 15.726 ( 5.441 19.587 1.100) 20.359 17.053 ( 4.643 6.586 3.377) 8.737 17.437 ( -6.258 -7.544 -8.086) 12.706 17.802 ( -4.246 -19.640 -2.299) 20.224 18.827 ( 7.279 13.479 -2.535) 15.527 19.522 ( -6.472 -8.424 2.178) 10.844 20.239 ( 2.399 3.793 3.850) 5.913 20.866 ( -1.298 -2.330 -0.352) 2.691 21.156 ( -0.728 -5.503 2.898) 6.262 ======================= Grid point 805 (289/294) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( -0.000 0.000 20.084) 20.084 3.308 ( -0.000 0.000 20.084) 20.084 5.547 ( -0.000 0.000 24.566) 24.566 5.892 ( -0.000 0.000 0.895) 0.895 6.288 ( 0.000 -0.000 -16.514) 16.514 6.288 ( 0.000 -0.000 -16.514) 16.514 7.893 ( 0.000 -0.000 -4.235) 4.235 9.851 ( -0.000 0.000 5.042) 5.042 9.851 ( -0.000 0.000 5.042) 5.042 10.343 ( 0.000 0.000 0.285) 0.285 10.343 ( 0.000 0.000 0.285) 0.285 10.950 ( -0.000 0.000 12.575) 12.575 10.950 ( -0.000 0.000 12.575) 12.575 11.180 ( 0.000 -0.000 -13.194) 13.194 11.309 ( 0.000 -0.000 -5.406) 5.406 11.309 ( 0.000 -0.000 -5.406) 5.406 12.190 ( -0.000 0.000 1.376) 1.376 13.194 ( 0.000 -0.000 -1.154) 1.154 13.757 ( -0.000 0.000 6.699) 6.699 13.757 ( -0.000 0.000 6.699) 6.699 14.185 ( 0.000 -0.000 -11.894) 11.894 14.185 ( 0.000 -0.000 -11.894) 11.894 17.357 ( 0.000 -0.000 -0.957) 0.957 17.809 ( -0.000 0.000 8.082) 8.082 17.809 ( -0.000 0.000 8.082) 8.082 18.767 ( -0.000 0.000 0.747) 0.747 20.082 ( 0.000 -0.000 -4.661) 4.661 20.082 ( 0.000 -0.000 -4.661) 4.661 20.977 ( -0.000 0.000 6.064) 6.064 21.407 ( 0.000 -0.000 -4.756) 4.756 ======================= Grid point 806 (290/294) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( -1.329 5.300 18.098) 18.904 3.651 ( 19.049 5.862 8.126) 21.524 5.480 ( -13.222 -5.890 9.686) 17.416 5.877 ( -1.781 -0.344 1.368) 2.272 6.307 ( 12.817 -5.413 -13.536) 19.412 6.381 ( 8.532 14.480 -3.780) 17.226 7.917 ( 4.425 2.431 -1.275) 5.208 9.658 ( -15.207 -9.592 6.767) 19.211 9.786 ( -10.507 -5.381 -1.845) 11.948 10.339 ( -4.850 -2.360 0.825) 5.456 10.422 ( 0.982 2.523 -1.205) 2.963 10.565 ( -15.030 -6.874 13.665) 21.445 10.854 ( -10.496 -12.719 -7.227) 18.005 11.159 ( 0.747 7.098 -7.009) 10.003 11.424 ( 12.737 3.551 5.110) 14.175 11.638 ( 13.527 9.064 -3.340) 16.622 12.155 ( -1.205 -2.122 1.662) 2.952 13.120 ( -5.316 -2.814 -0.534) 6.039 13.744 ( -0.391 0.154 4.617) 4.636 13.906 ( 6.616 -5.549 -3.303) 9.245 14.174 ( 4.732 21.232 2.283) 21.873 14.413 ( 22.347 3.304 -10.196) 24.784 17.240 ( -7.716 -4.784 -0.441) 9.089 17.797 ( -5.683 0.613 6.615) 8.742 17.989 ( 11.216 2.953 4.353) 12.388 18.695 ( -6.700 -3.993 0.311) 7.806 20.000 ( -6.295 0.204 -3.112) 7.025 20.075 ( 2.690 -1.648 -3.467) 4.687 20.992 ( -1.614 -0.845 4.498) 4.853 21.367 ( -1.103 -1.001 -3.874) 4.150 ======================= Grid point 807 (291/294) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( 4.126 6.721 12.574) 14.842 4.134 ( 25.179 11.613 -0.929) 27.743 5.260 ( -9.982 -5.129 4.705) 12.169 5.846 ( -3.757 0.362 3.441) 5.108 6.389 ( 11.067 0.410 -15.203) 18.809 6.666 ( 9.610 6.559 3.152) 12.054 8.103 ( 12.385 7.251 0.706) 14.369 9.203 ( -28.157 -17.652 7.112) 33.985 9.460 ( -16.572 -8.987 -4.399) 19.358 10.093 ( -11.409 -2.084 0.325) 11.603 10.263 ( -11.624 -11.288 2.881) 16.457 10.527 ( -4.294 9.179 1.913) 10.313 10.768 ( 6.238 -6.537 -3.940) 9.857 11.168 ( -3.124 -0.804 -2.620) 4.155 11.439 ( -2.422 3.270 -6.547) 7.709 11.947 ( 16.331 -5.177 0.966) 17.160 12.271 ( 5.996 12.674 8.179) 16.233 12.977 ( -7.091 -3.939 -0.955) 8.168 13.680 ( -5.707 2.242 -5.105) 7.979 14.077 ( 17.447 -7.851 5.857) 20.008 14.508 ( 7.049 23.483 -1.542) 24.567 14.878 ( 27.884 8.522 -0.518) 29.162 17.065 ( -6.325 -3.758 -1.429) 7.494 17.708 ( -7.050 -3.174 3.335) 8.420 18.227 ( 6.513 5.965 1.018) 8.890 18.504 ( -6.856 -7.364 2.719) 10.422 19.846 ( -8.242 -1.920 -3.387) 9.116 20.105 ( 3.298 0.326 -1.371) 3.587 20.963 ( -2.681 -1.401 1.839) 3.540 21.300 ( -2.901 -2.234 -1.982) 4.163 ======================= Grid point 819 (292/294) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.525 ( 6.230 4.768 5.766) 9.737 3.633 ( -5.858 15.463 7.532) 18.170 5.544 ( 1.279 -13.910 2.625) 14.213 5.894 ( -0.116 -0.143 0.212) 0.281 6.148 ( -2.138 2.439 0.765) 3.333 6.428 ( 0.645 18.571 -7.141) 19.908 7.912 ( -0.064 5.392 -0.282) 5.400 9.718 ( -0.763 -13.789 5.316) 14.798 9.757 ( 0.911 -15.418 -3.749) 15.893 10.340 ( -0.903 -7.829 0.823) 7.924 10.406 ( 0.468 3.264 0.612) 3.354 10.670 ( 4.334 -17.625 11.180) 21.317 10.789 ( -3.362 -11.800 -9.976) 15.814 11.142 ( -1.031 4.832 -4.919) 6.971 11.403 ( -0.607 0.516 6.976) 7.021 11.610 ( 2.383 20.782 0.185) 20.919 12.204 ( -1.481 3.635 -3.470) 5.239 13.115 ( 0.130 -6.345 -0.059) 6.347 13.729 ( -3.347 -5.746 5.600) 8.694 13.950 ( 3.900 8.393 -8.577) 12.618 14.151 ( 2.437 12.453 7.323) 14.651 14.377 ( -2.949 23.998 -7.827) 25.414 17.233 ( -0.146 -9.674 0.258) 9.678 17.835 ( 2.254 -4.391 2.617) 5.587 18.001 ( -2.150 10.739 3.002) 11.356 18.702 ( 0.007 -7.008 -0.352) 7.017 19.978 ( 1.484 -6.157 -0.753) 6.378 20.064 ( -1.210 1.832 -2.352) 3.218 21.013 ( 0.047 -2.072 2.621) 3.341 21.349 ( -0.162 -1.373 -2.275) 2.662 ======================= Grid point 820 (293/294) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.591 ( 3.588 5.073 -7.467) 9.714 3.971 ( 11.965 21.853 5.724) 25.563 5.348 ( -6.388 -10.461 -2.205) 12.454 5.882 ( 0.696 -1.948 -1.538) 2.578 6.243 ( 1.079 6.257 5.128) 8.161 6.638 ( 8.289 12.764 0.425) 15.225 8.036 ( 6.191 10.448 0.260) 12.147 9.426 ( -14.810 -21.586 0.751) 26.188 9.511 ( -9.067 -18.788 -0.590) 20.870 10.152 ( -5.027 -19.171 2.243) 19.945 10.324 ( -9.178 -1.770 -2.554) 9.689 10.523 ( -0.438 -11.497 -9.080) 14.656 10.749 ( -0.039 9.419 6.337) 11.352 11.236 ( 5.959 5.709 -1.134) 8.330 11.468 ( 1.487 -11.099 5.784) 12.604 11.740 ( -4.328 15.966 -5.318) 17.376 12.297 ( 9.703 7.085 3.723) 12.578 13.010 ( -4.321 -6.971 -0.923) 8.253 13.779 ( 12.169 -6.572 5.518) 14.891 13.948 ( -14.727 17.946 -2.767) 23.380 14.400 ( 16.353 7.842 -9.307) 20.385 14.749 ( 12.944 27.676 6.744) 31.289 17.101 ( -4.328 -7.598 0.304) 8.750 17.757 ( -4.485 -5.880 -3.972) 8.394 18.174 ( 7.104 8.467 3.798) 11.687 18.570 ( -5.987 -8.030 0.053) 10.016 19.874 ( -3.972 -7.323 -3.639) 9.091 20.088 ( 1.328 2.496 2.309) 3.650 20.984 ( -1.545 -2.646 -0.236) 3.073 21.312 ( -1.460 -2.535 0.748) 3.019 ======================= Grid point 976 (294/294) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 5.87e-04 5.87e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.501 ( -0.000 0.000 0.000) 0.000 3.501 ( -0.000 0.000 0.000) 0.000 5.778 ( -0.000 0.000 0.000) 0.000 5.893 ( -0.000 0.000 0.000) 0.000 6.127 ( -0.000 0.000 0.000) 0.000 6.127 ( -0.000 0.000 0.000) 0.000 7.863 ( -0.000 0.000 0.000) 0.000 9.900 ( -0.000 0.000 0.000) 0.000 9.900 ( -0.000 0.000 0.000) 0.000 10.344 ( -0.000 0.000 0.000) 0.000 10.344 ( -0.000 0.000 0.000) 0.000 11.049 ( -0.000 0.000 0.000) 0.000 11.122 ( -0.000 0.000 0.000) 0.000 11.122 ( -0.000 0.000 0.000) 0.000 11.203 ( 0.000 0.000 -0.000) 0.000 11.203 ( 0.000 -0.000 -0.000) 0.000 12.205 ( -0.000 0.000 0.000) 0.000 13.183 ( -0.000 0.000 0.000) 0.000 13.862 ( -0.000 0.000 0.000) 0.000 13.862 ( -0.000 0.000 0.000) 0.000 14.032 ( 0.000 0.000 -0.000) 0.000 14.032 ( 0.000 -0.000 -0.000) 0.000 17.348 ( -0.000 0.000 0.000) 0.000 17.885 ( -0.000 0.000 0.000) 0.000 17.885 ( -0.000 0.000 0.000) 0.000 18.774 ( -0.000 0.000 0.000) 0.000 20.038 ( -0.000 0.000 0.000) 0.000 20.038 ( -0.000 0.000 0.000) 0.000 21.042 ( -0.000 0.000 0.000) 0.000 21.355 ( -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 3/51840 10.0 1041.531 1041.531 2369.698 0.000 -0.000 -0.000 3/51840 20.0 1939.318 1939.318 2355.137 0.000 -0.000 -0.000 3/51840 30.0 1388.029 1388.029 1402.869 0.000 -0.000 -0.000 3/51840 40.0 865.639 865.639 844.610 0.000 -0.000 -0.000 3/51840 50.0 536.618 536.618 508.115 0.000 -0.000 -0.000 3/51840 60.0 346.268 346.268 316.864 0.000 -0.000 -0.000 3/51840 70.0 235.727 235.727 209.161 0.000 -0.000 -0.000 3/51840 80.0 169.203 169.203 146.471 0.000 -0.000 -0.000 3/51840 90.0 127.276 127.276 108.113 0.000 -0.000 -0.000 3/51840 100.0 99.592 99.592 83.395 0.000 -0.000 -0.000 3/51840 110.0 80.512 80.512 66.690 0.000 -0.000 -0.000 3/51840 120.0 66.857 66.857 54.919 0.000 -0.000 -0.000 3/51840 130.0 56.758 56.758 46.323 0.000 -0.000 -0.000 3/51840 140.0 49.077 49.077 39.849 0.000 -0.000 -0.000 3/51840 150.0 43.089 43.089 34.846 0.000 -0.000 -0.000 3/51840 160.0 38.324 38.324 30.891 0.000 -0.000 -0.000 3/51840 170.0 34.460 34.460 27.703 0.000 -0.000 -0.000 3/51840 180.0 31.277 31.277 25.089 0.000 -0.000 -0.000 3/51840 190.0 28.618 28.618 22.915 0.000 -0.000 -0.000 3/51840 200.0 26.368 26.368 21.082 0.000 -0.000 -0.000 3/51840 210.0 24.443 24.443 19.519 0.000 -0.000 -0.000 3/51840 220.0 22.781 22.781 18.173 0.000 -0.000 -0.000 3/51840 230.0 21.331 21.331 17.002 0.000 -0.000 -0.000 3/51840 240.0 20.057 20.057 15.976 0.000 -0.000 -0.000 3/51840 250.0 18.930 18.930 15.069 0.000 -0.000 -0.000 3/51840 260.0 17.925 17.925 14.262 0.000 -0.000 -0.000 3/51840 270.0 17.025 17.025 13.540 0.000 -0.000 -0.000 3/51840 280.0 16.214 16.214 12.890 0.000 -0.000 -0.000 3/51840 290.0 15.478 15.478 12.302 0.000 -0.000 -0.000 3/51840 300.0 14.810 14.810 11.767 0.000 -0.000 -0.000 3/51840 310.0 14.198 14.198 11.279 0.000 -0.000 -0.000 3/51840 320.0 13.637 13.637 10.832 0.000 -0.000 -0.000 3/51840 330.0 13.121 13.121 10.420 0.000 -0.000 -0.000 3/51840 340.0 12.644 12.644 10.040 0.000 -0.000 -0.000 3/51840 350.0 12.202 12.202 9.688 0.000 -0.000 -0.000 3/51840 360.0 11.791 11.791 9.361 0.000 -0.000 -0.000 3/51840 370.0 11.408 11.408 9.057 0.000 -0.000 -0.000 3/51840 380.0 11.051 11.051 8.772 0.000 -0.000 -0.000 3/51840 390.0 10.716 10.716 8.506 0.000 -0.000 -0.000 3/51840 400.0 10.401 10.401 8.256 0.000 -0.000 -0.000 3/51840 410.0 10.106 10.106 8.021 0.000 -0.000 -0.000 3/51840 420.0 9.827 9.827 7.800 0.000 -0.000 -0.000 3/51840 430.0 9.564 9.564 7.591 0.000 -0.000 -0.000 3/51840 440.0 9.316 9.316 7.394 0.000 -0.000 -0.000 3/51840 450.0 9.080 9.080 7.207 0.000 -0.000 -0.000 3/51840 460.0 8.857 8.857 7.029 0.000 -0.000 -0.000 3/51840 470.0 8.645 8.645 6.861 0.000 -0.000 -0.000 3/51840 480.0 8.443 8.443 6.701 0.000 -0.000 -0.000 3/51840 490.0 8.250 8.250 6.548 0.000 -0.000 -0.000 3/51840 500.0 8.067 8.067 6.403 0.000 -0.000 -0.000 3/51840 510.0 7.892 7.892 6.264 0.000 -0.000 -0.000 3/51840 520.0 7.725 7.725 6.131 0.000 -0.000 -0.000 3/51840 530.0 7.564 7.564 6.004 0.000 -0.000 -0.000 3/51840 540.0 7.411 7.411 5.882 0.000 -0.000 -0.000 3/51840 550.0 7.264 7.264 5.765 0.000 -0.000 -0.000 3/51840 560.0 7.123 7.123 5.653 0.000 -0.000 -0.000 3/51840 570.0 6.987 6.987 5.546 0.000 -0.000 -0.000 3/51840 580.0 6.857 6.857 5.442 0.000 -0.000 -0.000 3/51840 590.0 6.731 6.731 5.343 0.000 -0.000 -0.000 3/51840 600.0 6.611 6.611 5.247 0.000 -0.000 -0.000 3/51840 610.0 6.494 6.494 5.155 0.000 -0.000 -0.000 3/51840 620.0 6.382 6.382 5.066 0.000 -0.000 -0.000 3/51840 630.0 6.274 6.274 4.980 0.000 -0.000 -0.000 3/51840 640.0 6.169 6.169 4.897 0.000 -0.000 -0.000 3/51840 650.0 6.068 6.068 4.817 0.000 -0.000 -0.000 3/51840 660.0 5.971 5.971 4.739 0.000 -0.000 -0.000 3/51840 670.0 5.876 5.876 4.664 0.000 -0.000 -0.000 3/51840 680.0 5.785 5.785 4.592 0.000 -0.000 -0.000 3/51840 690.0 5.696 5.696 4.521 0.000 -0.000 -0.000 3/51840 700.0 5.610 5.610 4.453 0.000 -0.000 -0.000 3/51840 710.0 5.527 5.527 4.387 0.000 -0.000 -0.000 3/51840 720.0 5.446 5.446 4.323 0.000 -0.000 -0.000 3/51840 730.0 5.368 5.368 4.261 0.000 -0.000 -0.000 3/51840 740.0 5.292 5.292 4.201 0.000 -0.000 -0.000 3/51840 750.0 5.218 5.218 4.142 0.000 -0.000 -0.000 3/51840 760.0 5.146 5.146 4.085 0.000 -0.000 -0.000 3/51840 770.0 5.076 5.076 4.029 0.000 -0.000 -0.000 3/51840 780.0 5.008 5.008 3.976 0.000 -0.000 -0.000 3/51840 790.0 4.942 4.942 3.923 0.000 -0.000 -0.000 3/51840 800.0 4.878 4.878 3.872 0.000 -0.000 -0.000 3/51840 810.0 4.815 4.815 3.822 0.000 -0.000 -0.000 3/51840 820.0 4.754 4.754 3.774 0.000 -0.000 -0.000 3/51840 830.0 4.695 4.695 3.727 0.000 -0.000 -0.000 3/51840 840.0 4.637 4.637 3.681 0.000 -0.000 -0.000 3/51840 850.0 4.580 4.580 3.636 0.000 -0.000 -0.000 3/51840 860.0 4.525 4.525 3.592 0.000 -0.000 -0.000 3/51840 870.0 4.471 4.471 3.550 0.000 -0.000 -0.000 3/51840 880.0 4.419 4.419 3.508 0.000 -0.000 -0.000 3/51840 890.0 4.368 4.368 3.467 0.000 -0.000 -0.000 3/51840 900.0 4.318 4.318 3.427 0.000 -0.000 -0.000 3/51840 910.0 4.269 4.269 3.389 0.000 -0.000 -0.000 3/51840 920.0 4.221 4.221 3.351 0.000 -0.000 -0.000 3/51840 930.0 4.174 4.174 3.314 0.000 -0.000 -0.000 3/51840 940.0 4.129 4.129 3.277 0.000 -0.000 -0.000 3/51840 950.0 4.084 4.084 3.242 0.000 -0.000 -0.000 3/51840 960.0 4.040 4.040 3.207 0.000 -0.000 -0.000 3/51840 970.0 3.997 3.997 3.173 0.000 -0.000 -0.000 3/51840 980.0 3.956 3.956 3.140 0.000 -0.000 -0.000 3/51840 990.0 3.915 3.915 3.108 0.000 -0.000 -0.000 3/51840 1000.0 3.874 3.874 3.076 0.000 -0.000 -0.000 3/51840 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:47:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|