----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:17:34]------------------------- 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 2.810183680158731 1.622460304211933 5.344825203333328 b -2.810183680158725 1.622460304211933 5.344825203333328 c 0.000000000000003 -3.244920608423871 5.344825203333328 Atomic positions (fractional): *1 O 0.70503697997792 0.46304408308875 0.05772891228406 15.999 2 O 0.46304408308875 0.05772891228406 0.70503697997793 15.999 3 O 0.05772891228406 0.70503697997792 0.46304408308875 15.999 4 O 0.29496302002208 0.53695591691125 0.94227108771594 15.999 5 O 0.94227108771594 0.29496302002208 0.53695591691124 15.999 6 O 0.53695591691124 0.94227108771594 0.29496302002207 15.999 *7 Na 0.13784839559791 0.13784839559791 0.13784839559791 22.990 8 Na 0.86215160440209 0.86215160440209 0.86215160440209 22.990 *9 Bi 0.34287127842944 0.34287127842944 0.34287127842944 208.980 10 Bi 0.65712872157056 0.65712872157056 0.65712872157056 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.620367360317456 0.000000000000000 0.000000000000000 b -2.810183680158728 4.867380912635804 0.000000000000000 c 0.000000000000000 0.000000000000000 16.034475610000001 Atomic positions (fractional): *1 O 0.62976698819434 0.01754107949952 0.07526999178358 15.999 > 1 2 O 0.38777409130517 0.37023301180566 0.07526999178358 15.999 > 2 3 O 0.98245892050048 0.61222590869483 0.07526999178358 15.999 > 3 4 O 0.03689967847232 0.31579225383382 0.25806334154975 15.999 > 4 5 O 0.68420774616618 0.72110742463851 0.25806334154975 15.999 > 5 6 O 0.27889257536149 0.96310032152768 0.25806334154975 15.999 > 6 7 O 0.29643365486101 0.35087441283285 0.40860332511691 15.999 > 1 8 O 0.05444075797184 0.70356634513899 0.40860332511691 15.999 > 2 9 O 0.64912558716715 0.94555924202816 0.40860332511691 15.999 > 3 10 O 0.70356634513899 0.64912558716715 0.59139667488309 15.999 > 4 11 O 0.35087441283285 0.05444075797184 0.59139667488309 15.999 > 5 12 O 0.94555924202816 0.29643365486101 0.59139667488309 15.999 > 6 13 O 0.96310032152768 0.68420774616618 0.74193665845025 15.999 > 1 14 O 0.72110742463851 0.03689967847232 0.74193665845025 15.999 > 2 15 O 0.31579225383382 0.27889257536149 0.74193665845025 15.999 > 3 16 O 0.37023301180566 0.98245892050048 0.92473000821642 15.999 > 4 17 O 0.01754107949952 0.38777409130517 0.92473000821642 15.999 > 5 18 O 0.61222590869482 0.62976698819434 0.92473000821642 15.999 > 6 *19 Na 0.00000000000000 0.00000000000000 0.13784839559791 22.990 > 7 20 Na 0.66666666666667 0.33333333333333 0.19548493773542 22.990 > 8 21 Na 0.66666666666667 0.33333333333333 0.47118172893124 22.990 > 7 22 Na 0.33333333333333 0.66666666666667 0.52881827106876 22.990 > 8 23 Na 0.33333333333333 0.66666666666667 0.80451506226458 22.990 > 7 24 Na 0.00000000000000 0.00000000000000 0.86215160440209 22.990 > 8 *25 Bi 0.33333333333333 0.66666666666667 0.00953794509611 208.980 > 9 26 Bi 0.33333333333333 0.66666666666667 0.32379538823723 208.980 > 10 27 Bi 0.00000000000000 0.00000000000000 0.34287127842944 208.980 > 9 28 Bi 0.00000000000000 0.00000000000000 0.65712872157056 208.980 > 10 29 Bi 0.66666666666667 0.33333333333333 0.67620461176277 208.980 > 9 30 Bi 0.66666666666667 0.33333333333333 0.99046205490389 208.980 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.240734720634912 0.000000000000000 0.000000000000000 b -5.620367360317456 9.734761825271608 0.000000000000000 c 0.000000000000000 0.000000000000000 16.034475610000001 Atomic positions (fractional): *1 O 0.31488349409717 0.00877053974976 0.07526999178358 15.999 > 1 2 O 0.81488349409717 0.00877053974976 0.07526999178358 15.999 > 1 3 O 0.31488349409717 0.50877053974976 0.07526999178358 15.999 > 1 4 O 0.81488349409717 0.50877053974976 0.07526999178358 15.999 > 1 5 O 0.19388704565259 0.18511650590283 0.07526999178358 15.999 > 2 6 O 0.69388704565259 0.18511650590283 0.07526999178358 15.999 > 2 7 O 0.19388704565259 0.68511650590283 0.07526999178358 15.999 > 2 8 O 0.69388704565259 0.68511650590283 0.07526999178358 15.999 > 2 9 O 0.49122946025024 0.30611295434741 0.07526999178358 15.999 > 3 10 O 0.99122946025024 0.30611295434741 0.07526999178358 15.999 > 3 11 O 0.49122946025024 0.80611295434741 0.07526999178358 15.999 > 3 12 O 0.99122946025024 0.80611295434741 0.07526999178358 15.999 > 3 13 O 0.01844983923616 0.15789612691691 0.25806334154975 15.999 > 4 14 O 0.51844983923616 0.15789612691691 0.25806334154975 15.999 > 4 15 O 0.01844983923616 0.65789612691691 0.25806334154975 15.999 > 4 16 O 0.51844983923616 0.65789612691691 0.25806334154975 15.999 > 4 17 O 0.34210387308309 0.36055371231925 0.25806334154975 15.999 > 5 18 O 0.84210387308309 0.36055371231925 0.25806334154975 15.999 > 5 19 O 0.34210387308309 0.86055371231925 0.25806334154975 15.999 > 5 20 O 0.84210387308309 0.86055371231925 0.25806334154975 15.999 > 5 21 O 0.13944628768075 0.48155016076384 0.25806334154975 15.999 > 6 22 O 0.63944628768075 0.48155016076384 0.25806334154975 15.999 > 6 23 O 0.13944628768075 0.98155016076384 0.25806334154975 15.999 > 6 24 O 0.63944628768075 0.98155016076384 0.25806334154975 15.999 > 6 25 O 0.14821682743050 0.17543720641642 0.40860332511691 15.999 > 1 26 O 0.64821682743051 0.17543720641642 0.40860332511691 15.999 > 1 27 O 0.14821682743050 0.67543720641643 0.40860332511691 15.999 > 1 28 O 0.64821682743051 0.67543720641643 0.40860332511691 15.999 > 1 29 O 0.02722037898592 0.35178317256949 0.40860332511691 15.999 > 2 30 O 0.52722037898592 0.35178317256949 0.40860332511691 15.999 > 2 31 O 0.02722037898592 0.85178317256949 0.40860332511691 15.999 > 2 32 O 0.52722037898592 0.85178317256949 0.40860332511691 15.999 > 2 33 O 0.32456279358357 0.47277962101408 0.40860332511691 15.999 > 3 34 O 0.82456279358357 0.47277962101408 0.40860332511691 15.999 > 3 35 O 0.32456279358357 0.97277962101408 0.40860332511691 15.999 > 3 36 O 0.82456279358357 0.97277962101408 0.40860332511691 15.999 > 3 37 O 0.35178317256949 0.32456279358357 0.59139667488309 15.999 > 4 38 O 0.85178317256949 0.32456279358357 0.59139667488309 15.999 > 4 39 O 0.35178317256949 0.82456279358357 0.59139667488309 15.999 > 4 40 O 0.85178317256949 0.82456279358357 0.59139667488309 15.999 > 4 41 O 0.17543720641642 0.02722037898592 0.59139667488309 15.999 > 5 42 O 0.67543720641643 0.02722037898592 0.59139667488309 15.999 > 5 43 O 0.17543720641642 0.52722037898592 0.59139667488309 15.999 > 5 44 O 0.67543720641643 0.52722037898592 0.59139667488309 15.999 > 5 45 O 0.47277962101408 0.14821682743050 0.59139667488309 15.999 > 6 46 O 0.97277962101408 0.14821682743050 0.59139667488309 15.999 > 6 47 O 0.47277962101408 0.64821682743051 0.59139667488309 15.999 > 6 48 O 0.97277962101408 0.64821682743051 0.59139667488309 15.999 > 6 49 O 0.48155016076384 0.34210387308309 0.74193665845025 15.999 > 1 50 O 0.98155016076384 0.34210387308309 0.74193665845025 15.999 > 1 51 O 0.48155016076384 0.84210387308309 0.74193665845025 15.999 > 1 52 O 0.98155016076384 0.84210387308309 0.74193665845025 15.999 > 1 53 O 0.36055371231925 0.01844983923616 0.74193665845025 15.999 > 2 54 O 0.86055371231925 0.01844983923616 0.74193665845025 15.999 > 2 55 O 0.36055371231925 0.51844983923616 0.74193665845025 15.999 > 2 56 O 0.86055371231925 0.51844983923616 0.74193665845025 15.999 > 2 57 O 0.15789612691691 0.13944628768075 0.74193665845025 15.999 > 3 58 O 0.65789612691691 0.13944628768075 0.74193665845025 15.999 > 3 59 O 0.15789612691691 0.63944628768075 0.74193665845025 15.999 > 3 60 O 0.65789612691691 0.63944628768075 0.74193665845025 15.999 > 3 61 O 0.18511650590283 0.49122946025024 0.92473000821642 15.999 > 4 62 O 0.68511650590283 0.49122946025024 0.92473000821642 15.999 > 4 63 O 0.18511650590283 0.99122946025024 0.92473000821642 15.999 > 4 64 O 0.68511650590283 0.99122946025024 0.92473000821642 15.999 > 4 65 O 0.00877053974976 0.19388704565259 0.92473000821642 15.999 > 5 66 O 0.50877053974976 0.19388704565259 0.92473000821642 15.999 > 5 67 O 0.00877053974976 0.69388704565259 0.92473000821642 15.999 > 5 68 O 0.50877053974976 0.69388704565259 0.92473000821642 15.999 > 5 69 O 0.30611295434741 0.31488349409717 0.92473000821642 15.999 > 6 70 O 0.80611295434741 0.31488349409717 0.92473000821642 15.999 > 6 71 O 0.30611295434741 0.81488349409717 0.92473000821642 15.999 > 6 72 O 0.80611295434741 0.81488349409717 0.92473000821642 15.999 > 6 *73 Na 0.00000000000000 0.00000000000000 0.13784839559791 22.990 > 7 74 Na 0.50000000000000 0.00000000000000 0.13784839559791 22.990 > 7 75 Na 0.00000000000000 0.50000000000000 0.13784839559791 22.990 > 7 76 Na 0.50000000000000 0.50000000000000 0.13784839559791 22.990 > 7 77 Na 0.33333333333333 0.16666666666667 0.19548493773542 22.990 > 8 78 Na 0.83333333333333 0.16666666666667 0.19548493773542 22.990 > 8 79 Na 0.33333333333333 0.66666666666667 0.19548493773542 22.990 > 8 80 Na 0.83333333333333 0.66666666666667 0.19548493773542 22.990 > 8 81 Na 0.33333333333333 0.16666666666667 0.47118172893124 22.990 > 7 82 Na 0.83333333333333 0.16666666666667 0.47118172893124 22.990 > 7 83 Na 0.33333333333333 0.66666666666667 0.47118172893124 22.990 > 7 84 Na 0.83333333333333 0.66666666666667 0.47118172893124 22.990 > 7 85 Na 0.16666666666667 0.33333333333333 0.52881827106876 22.990 > 8 86 Na 0.66666666666667 0.33333333333333 0.52881827106876 22.990 > 8 87 Na 0.16666666666667 0.83333333333333 0.52881827106876 22.990 > 8 88 Na 0.66666666666667 0.83333333333333 0.52881827106876 22.990 > 8 89 Na 0.16666666666667 0.33333333333333 0.80451506226458 22.990 > 7 90 Na 0.66666666666667 0.33333333333333 0.80451506226458 22.990 > 7 91 Na 0.16666666666667 0.83333333333333 0.80451506226458 22.990 > 7 92 Na 0.66666666666667 0.83333333333333 0.80451506226458 22.990 > 7 93 Na 0.00000000000000 0.00000000000000 0.86215160440209 22.990 > 8 94 Na 0.50000000000000 0.00000000000000 0.86215160440209 22.990 > 8 95 Na 0.00000000000000 0.50000000000000 0.86215160440209 22.990 > 8 96 Na 0.50000000000000 0.50000000000000 0.86215160440209 22.990 > 8 *97 Bi 0.16666666666667 0.33333333333333 0.00953794509611 208.980 > 9 98 Bi 0.66666666666667 0.33333333333333 0.00953794509611 208.980 > 9 99 Bi 0.16666666666667 0.83333333333333 0.00953794509611 208.980 > 9 100 Bi 0.66666666666667 0.83333333333333 0.00953794509611 208.980 > 9 101 Bi 0.16666666666667 0.33333333333333 0.32379538823723 208.980 > 10 102 Bi 0.66666666666667 0.33333333333333 0.32379538823723 208.980 > 10 103 Bi 0.16666666666667 0.83333333333333 0.32379538823723 208.980 > 10 104 Bi 0.66666666666667 0.83333333333333 0.32379538823723 208.980 > 10 105 Bi 0.00000000000000 0.00000000000000 0.34287127842944 208.980 > 9 106 Bi 0.50000000000000 0.00000000000000 0.34287127842944 208.980 > 9 107 Bi 0.00000000000000 0.50000000000000 0.34287127842944 208.980 > 9 108 Bi 0.50000000000000 0.50000000000000 0.34287127842944 208.980 > 9 109 Bi 0.00000000000000 0.00000000000000 0.65712872157056 208.980 > 10 110 Bi 0.50000000000000 0.00000000000000 0.65712872157056 208.980 > 10 111 Bi 0.00000000000000 0.50000000000000 0.65712872157056 208.980 > 10 112 Bi 0.50000000000000 0.50000000000000 0.65712872157056 208.980 > 10 113 Bi 0.33333333333333 0.16666666666667 0.67620461176277 208.980 > 9 114 Bi 0.83333333333333 0.16666666666667 0.67620461176277 208.980 > 9 115 Bi 0.33333333333333 0.66666666666667 0.67620461176277 208.980 > 9 116 Bi 0.83333333333333 0.66666666666667 0.67620461176277 208.980 > 9 117 Bi 0.33333333333333 0.16666666666667 0.99046205490389 208.980 > 10 118 Bi 0.83333333333333 0.16666666666667 0.99046205490389 208.980 > 10 119 Bi 0.33333333333333 0.66666666666667 0.99046205490389 208.980 > 10 120 Bi 0.83333333333333 0.66666666666667 0.99046205490389 208.980 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0513918 -0.0000013 0.0000000 0.0000013 5.0513918 0.0000000 0.0000000 0.0000000 3.3526378 -------------------------- Born effective charges -------------------------- 1 O -1.4268673 0.0346918 -0.0180951 0.0843893 -2.7377746 0.0496162 -0.2178562 -0.0455540 -1.2327557 2 O -2.4616114 0.5130204 0.0520165 0.5627180 -1.7030305 -0.0091373 0.0694772 0.2114460 -1.2327557 3 O -2.3584841 -0.6222585 -0.0339214 -0.5725610 -1.8061578 -0.0404789 0.1483790 -0.1658920 -1.2327557 4 O -1.4268673 0.0346918 -0.0180951 0.0843893 -2.7377746 0.0496162 -0.2178562 -0.0455540 -1.2327557 5 O -2.3584841 -0.6222585 -0.0339214 -0.5725610 -1.8061578 -0.0404789 0.1483790 -0.1658920 -1.2327557 6 O -2.4616114 0.5130204 0.0520165 0.5627180 -1.7030305 -0.0091373 0.0694772 0.2114460 -1.2327557 7 Na 1.0859192 0.0466894 0.0000000 -0.0466894 1.0859192 -0.0000000 0.0000000 0.0000000 1.4322672 8 Na 1.0859192 0.0466894 0.0000000 -0.0466894 1.0859192 -0.0000000 0.0000000 0.0000000 1.4322672 9 Bi 5.1610437 0.0278569 0.0000000 -0.0278569 5.1610437 -0.0000000 0.0000000 0.0000000 2.2660001 10 Bi 5.1610437 0.0278569 0.0000000 -0.0278569 5.1610437 -0.0000000 0.0000000 0.0000000 2.2660001 ---------------------------------------------------------------------------- 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: 464 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): 0.014 Solver_block: 100 / 240 - Time: 1.042 Solver_block: 200 / 240 - Time: 1.057 Solver_block: 240 / 240 - Time: 0.476 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.604 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 464 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 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:17:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:17:48]------------------------- 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 2.810183680158731 1.622460304211933 5.344825203333328 b -2.810183680158725 1.622460304211933 5.344825203333328 c 0.000000000000003 -3.244920608423871 5.344825203333328 Atomic positions (fractional): 1 O 0.70503697997792 0.46304408308875 0.05772891228406 15.999 2 O 0.46304408308875 0.05772891228406 0.70503697997793 15.999 3 O 0.05772891228406 0.70503697997792 0.46304408308875 15.999 4 O 0.29496302002208 0.53695591691125 0.94227108771594 15.999 5 O 0.94227108771594 0.29496302002208 0.53695591691124 15.999 6 O 0.53695591691124 0.94227108771594 0.29496302002207 15.999 7 Na 0.13784839559791 0.13784839559791 0.13784839559791 22.990 8 Na 0.86215160440209 0.86215160440209 0.86215160440209 22.990 9 Bi 0.34287127842944 0.34287127842944 0.34287127842944 208.980 10 Bi 0.65712872157056 0.65712872157056 0.65712872157056 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.240734720634912 0.000000000000000 0.000000000000000 b -5.620367360317456 9.734761825271608 0.000000000000000 c 0.000000000000000 0.000000000000000 16.034475610000001 Atomic positions (fractional): 1 O 0.31488349409717 0.00877053974976 0.07526999178358 15.999 > 1 2 O 0.81488349409717 0.00877053974976 0.07526999178358 15.999 > 1 3 O 0.31488349409717 0.50877053974976 0.07526999178358 15.999 > 1 4 O 0.81488349409717 0.50877053974976 0.07526999178358 15.999 > 1 5 O 0.19388704565259 0.18511650590283 0.07526999178358 15.999 > 5 6 O 0.69388704565259 0.18511650590283 0.07526999178358 15.999 > 5 7 O 0.19388704565259 0.68511650590283 0.07526999178358 15.999 > 5 8 O 0.69388704565259 0.68511650590283 0.07526999178358 15.999 > 5 9 O 0.49122946025024 0.30611295434741 0.07526999178358 15.999 > 9 10 O 0.99122946025024 0.30611295434741 0.07526999178358 15.999 > 9 11 O 0.49122946025024 0.80611295434741 0.07526999178358 15.999 > 9 12 O 0.99122946025024 0.80611295434741 0.07526999178358 15.999 > 9 13 O 0.01844983923616 0.15789612691691 0.25806334154975 15.999 > 13 14 O 0.51844983923616 0.15789612691691 0.25806334154975 15.999 > 13 15 O 0.01844983923616 0.65789612691691 0.25806334154975 15.999 > 13 16 O 0.51844983923616 0.65789612691691 0.25806334154975 15.999 > 13 17 O 0.34210387308309 0.36055371231925 0.25806334154975 15.999 > 17 18 O 0.84210387308309 0.36055371231925 0.25806334154975 15.999 > 17 19 O 0.34210387308309 0.86055371231925 0.25806334154975 15.999 > 17 20 O 0.84210387308309 0.86055371231925 0.25806334154975 15.999 > 17 21 O 0.13944628768075 0.48155016076384 0.25806334154975 15.999 > 21 22 O 0.63944628768075 0.48155016076384 0.25806334154975 15.999 > 21 23 O 0.13944628768075 0.98155016076384 0.25806334154975 15.999 > 21 24 O 0.63944628768075 0.98155016076384 0.25806334154975 15.999 > 21 25 O 0.14821682743050 0.17543720641642 0.40860332511691 15.999 > 1 26 O 0.64821682743051 0.17543720641642 0.40860332511691 15.999 > 1 27 O 0.14821682743050 0.67543720641643 0.40860332511691 15.999 > 1 28 O 0.64821682743051 0.67543720641643 0.40860332511691 15.999 > 1 29 O 0.02722037898592 0.35178317256949 0.40860332511691 15.999 > 5 30 O 0.52722037898592 0.35178317256949 0.40860332511691 15.999 > 5 31 O 0.02722037898592 0.85178317256949 0.40860332511691 15.999 > 5 32 O 0.52722037898592 0.85178317256949 0.40860332511691 15.999 > 5 33 O 0.32456279358357 0.47277962101408 0.40860332511691 15.999 > 9 34 O 0.82456279358357 0.47277962101408 0.40860332511691 15.999 > 9 35 O 0.32456279358357 0.97277962101408 0.40860332511691 15.999 > 9 36 O 0.82456279358357 0.97277962101408 0.40860332511691 15.999 > 9 37 O 0.35178317256949 0.32456279358357 0.59139667488309 15.999 > 13 38 O 0.85178317256949 0.32456279358357 0.59139667488309 15.999 > 13 39 O 0.35178317256949 0.82456279358357 0.59139667488309 15.999 > 13 40 O 0.85178317256949 0.82456279358357 0.59139667488309 15.999 > 13 41 O 0.17543720641642 0.02722037898592 0.59139667488309 15.999 > 17 42 O 0.67543720641643 0.02722037898592 0.59139667488309 15.999 > 17 43 O 0.17543720641642 0.52722037898592 0.59139667488309 15.999 > 17 44 O 0.67543720641643 0.52722037898592 0.59139667488309 15.999 > 17 45 O 0.47277962101408 0.14821682743050 0.59139667488309 15.999 > 21 46 O 0.97277962101408 0.14821682743050 0.59139667488309 15.999 > 21 47 O 0.47277962101408 0.64821682743051 0.59139667488309 15.999 > 21 48 O 0.97277962101408 0.64821682743051 0.59139667488309 15.999 > 21 49 O 0.48155016076384 0.34210387308309 0.74193665845025 15.999 > 1 50 O 0.98155016076384 0.34210387308309 0.74193665845025 15.999 > 1 51 O 0.48155016076384 0.84210387308309 0.74193665845025 15.999 > 1 52 O 0.98155016076384 0.84210387308309 0.74193665845025 15.999 > 1 53 O 0.36055371231925 0.01844983923616 0.74193665845025 15.999 > 5 54 O 0.86055371231925 0.01844983923616 0.74193665845025 15.999 > 5 55 O 0.36055371231925 0.51844983923616 0.74193665845025 15.999 > 5 56 O 0.86055371231925 0.51844983923616 0.74193665845025 15.999 > 5 57 O 0.15789612691691 0.13944628768075 0.74193665845025 15.999 > 9 58 O 0.65789612691691 0.13944628768075 0.74193665845025 15.999 > 9 59 O 0.15789612691691 0.63944628768075 0.74193665845025 15.999 > 9 60 O 0.65789612691691 0.63944628768075 0.74193665845025 15.999 > 9 61 O 0.18511650590283 0.49122946025024 0.92473000821642 15.999 > 13 62 O 0.68511650590283 0.49122946025024 0.92473000821642 15.999 > 13 63 O 0.18511650590283 0.99122946025024 0.92473000821642 15.999 > 13 64 O 0.68511650590283 0.99122946025024 0.92473000821642 15.999 > 13 65 O 0.00877053974976 0.19388704565259 0.92473000821642 15.999 > 17 66 O 0.50877053974976 0.19388704565259 0.92473000821642 15.999 > 17 67 O 0.00877053974976 0.69388704565259 0.92473000821642 15.999 > 17 68 O 0.50877053974976 0.69388704565259 0.92473000821642 15.999 > 17 69 O 0.30611295434741 0.31488349409717 0.92473000821642 15.999 > 21 70 O 0.80611295434741 0.31488349409717 0.92473000821642 15.999 > 21 71 O 0.30611295434741 0.81488349409717 0.92473000821642 15.999 > 21 72 O 0.80611295434741 0.81488349409717 0.92473000821642 15.999 > 21 73 Na 0.00000000000000 0.00000000000000 0.13784839559791 22.990 > 73 74 Na 0.50000000000000 0.00000000000000 0.13784839559791 22.990 > 73 75 Na 0.00000000000000 0.50000000000000 0.13784839559791 22.990 > 73 76 Na 0.50000000000000 0.50000000000000 0.13784839559791 22.990 > 73 77 Na 0.33333333333333 0.16666666666667 0.19548493773542 22.990 > 77 78 Na 0.83333333333333 0.16666666666667 0.19548493773542 22.990 > 77 79 Na 0.33333333333333 0.66666666666667 0.19548493773542 22.990 > 77 80 Na 0.83333333333333 0.66666666666667 0.19548493773542 22.990 > 77 81 Na 0.33333333333333 0.16666666666667 0.47118172893124 22.990 > 73 82 Na 0.83333333333333 0.16666666666667 0.47118172893124 22.990 > 73 83 Na 0.33333333333333 0.66666666666667 0.47118172893124 22.990 > 73 84 Na 0.83333333333333 0.66666666666667 0.47118172893124 22.990 > 73 85 Na 0.16666666666667 0.33333333333333 0.52881827106876 22.990 > 77 86 Na 0.66666666666667 0.33333333333333 0.52881827106876 22.990 > 77 87 Na 0.16666666666667 0.83333333333333 0.52881827106876 22.990 > 77 88 Na 0.66666666666667 0.83333333333333 0.52881827106876 22.990 > 77 89 Na 0.16666666666667 0.33333333333333 0.80451506226458 22.990 > 73 90 Na 0.66666666666667 0.33333333333333 0.80451506226458 22.990 > 73 91 Na 0.16666666666667 0.83333333333333 0.80451506226458 22.990 > 73 92 Na 0.66666666666667 0.83333333333333 0.80451506226458 22.990 > 73 93 Na 0.00000000000000 0.00000000000000 0.86215160440209 22.990 > 77 94 Na 0.50000000000000 0.00000000000000 0.86215160440209 22.990 > 77 95 Na 0.00000000000000 0.50000000000000 0.86215160440209 22.990 > 77 96 Na 0.50000000000000 0.50000000000000 0.86215160440209 22.990 > 77 97 Bi 0.16666666666667 0.33333333333333 0.00953794509611 208.980 > 97 98 Bi 0.66666666666667 0.33333333333333 0.00953794509611 208.980 > 97 99 Bi 0.16666666666667 0.83333333333333 0.00953794509611 208.980 > 97 100 Bi 0.66666666666667 0.83333333333333 0.00953794509611 208.980 > 97 101 Bi 0.16666666666667 0.33333333333333 0.32379538823723 208.980 > 101 102 Bi 0.66666666666667 0.33333333333333 0.32379538823723 208.980 > 101 103 Bi 0.16666666666667 0.83333333333333 0.32379538823723 208.980 > 101 104 Bi 0.66666666666667 0.83333333333333 0.32379538823723 208.980 > 101 105 Bi 0.00000000000000 0.00000000000000 0.34287127842944 208.980 > 97 106 Bi 0.50000000000000 0.00000000000000 0.34287127842944 208.980 > 97 107 Bi 0.00000000000000 0.50000000000000 0.34287127842944 208.980 > 97 108 Bi 0.50000000000000 0.50000000000000 0.34287127842944 208.980 > 97 109 Bi 0.00000000000000 0.00000000000000 0.65712872157056 208.980 > 101 110 Bi 0.50000000000000 0.00000000000000 0.65712872157056 208.980 > 101 111 Bi 0.00000000000000 0.50000000000000 0.65712872157056 208.980 > 101 112 Bi 0.50000000000000 0.50000000000000 0.65712872157056 208.980 > 101 113 Bi 0.33333333333333 0.16666666666667 0.67620461176277 208.980 > 97 114 Bi 0.83333333333333 0.16666666666667 0.67620461176277 208.980 > 97 115 Bi 0.33333333333333 0.66666666666667 0.67620461176277 208.980 > 97 116 Bi 0.83333333333333 0.66666666666667 0.67620461176277 208.980 > 97 117 Bi 0.33333333333333 0.16666666666667 0.99046205490389 208.980 > 101 118 Bi 0.83333333333333 0.16666666666667 0.99046205490389 208.980 > 101 119 Bi 0.33333333333333 0.66666666666667 0.99046205490389 208.980 > 101 120 Bi 0.83333333333333 0.66666666666667 0.99046205490389 208.980 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0513918 -0.0000013 0.0000000 0.0000013 5.0513918 0.0000000 0.0000000 0.0000000 3.3526378 -------------------------- Born effective charges -------------------------- 1 O -1.4268673 0.0346918 -0.0180951 0.0843893 -2.7377746 0.0496162 -0.2178562 -0.0455540 -1.2327557 2 O -2.4616114 0.5130204 0.0520165 0.5627180 -1.7030305 -0.0091373 0.0694772 0.2114460 -1.2327557 3 O -2.3584841 -0.6222585 -0.0339214 -0.5725610 -1.8061578 -0.0404789 0.1483790 -0.1658920 -1.2327557 4 O -1.4268673 0.0346918 -0.0180951 0.0843893 -2.7377746 0.0496162 -0.2178562 -0.0455540 -1.2327557 5 O -2.3584841 -0.6222585 -0.0339214 -0.5725610 -1.8061578 -0.0404789 0.1483790 -0.1658920 -1.2327557 6 O -2.4616114 0.5130204 0.0520165 0.5627180 -1.7030305 -0.0091373 0.0694772 0.2114460 -1.2327557 7 Na 1.0859192 0.0466894 0.0000000 -0.0466894 1.0859192 -0.0000000 0.0000000 0.0000000 1.4322672 8 Na 1.0859192 0.0466894 0.0000000 -0.0466894 1.0859192 -0.0000000 0.0000000 0.0000000 1.4322672 9 Bi 5.1610437 0.0278569 0.0000000 -0.0278569 5.1610437 -0.0000000 0.0000000 0.0000000 2.2660001 10 Bi 5.1610437 0.0278569 0.0000000 -0.0278569 5.1610437 -0.0000000 0.0000000 0.0000000 2.2660001 ---------------------------------------------------------------------------- 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: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:17:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:17:59]------------------------- 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 2.810183680158731 1.622460304211933 5.344825203333328 b -2.810183680158725 1.622460304211933 5.344825203333328 c 0.000000000000003 -3.244920608423871 5.344825203333328 Atomic positions (fractional): 1 O 0.70503697997792 0.46304408308875 0.05772891228406 15.999 2 O 0.46304408308875 0.05772891228406 0.70503697997793 15.999 3 O 0.05772891228406 0.70503697997792 0.46304408308875 15.999 4 O 0.29496302002208 0.53695591691125 0.94227108771594 15.999 5 O 0.94227108771594 0.29496302002208 0.53695591691124 15.999 6 O 0.53695591691124 0.94227108771594 0.29496302002207 15.999 7 Na 0.13784839559791 0.13784839559791 0.13784839559791 22.990 8 Na 0.86215160440209 0.86215160440209 0.86215160440209 22.990 9 Bi 0.34287127842944 0.34287127842944 0.34287127842944 208.980 10 Bi 0.65712872157056 0.65712872157056 0.65712872157056 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.240734720634912 0.000000000000000 0.000000000000000 b -5.620367360317456 9.734761825271608 0.000000000000000 c 0.000000000000000 0.000000000000000 16.034475610000001 Atomic positions (fractional): 1 O 0.31488349409717 0.00877053974976 0.07526999178358 15.999 > 1 2 O 0.81488349409717 0.00877053974976 0.07526999178358 15.999 > 1 3 O 0.31488349409717 0.50877053974976 0.07526999178358 15.999 > 1 4 O 0.81488349409717 0.50877053974976 0.07526999178358 15.999 > 1 5 O 0.19388704565259 0.18511650590283 0.07526999178358 15.999 > 5 6 O 0.69388704565259 0.18511650590283 0.07526999178358 15.999 > 5 7 O 0.19388704565259 0.68511650590283 0.07526999178358 15.999 > 5 8 O 0.69388704565259 0.68511650590283 0.07526999178358 15.999 > 5 9 O 0.49122946025024 0.30611295434741 0.07526999178358 15.999 > 9 10 O 0.99122946025024 0.30611295434741 0.07526999178358 15.999 > 9 11 O 0.49122946025024 0.80611295434741 0.07526999178358 15.999 > 9 12 O 0.99122946025024 0.80611295434741 0.07526999178358 15.999 > 9 13 O 0.01844983923616 0.15789612691691 0.25806334154975 15.999 > 13 14 O 0.51844983923616 0.15789612691691 0.25806334154975 15.999 > 13 15 O 0.01844983923616 0.65789612691691 0.25806334154975 15.999 > 13 16 O 0.51844983923616 0.65789612691691 0.25806334154975 15.999 > 13 17 O 0.34210387308309 0.36055371231925 0.25806334154975 15.999 > 17 18 O 0.84210387308309 0.36055371231925 0.25806334154975 15.999 > 17 19 O 0.34210387308309 0.86055371231925 0.25806334154975 15.999 > 17 20 O 0.84210387308309 0.86055371231925 0.25806334154975 15.999 > 17 21 O 0.13944628768075 0.48155016076384 0.25806334154975 15.999 > 21 22 O 0.63944628768075 0.48155016076384 0.25806334154975 15.999 > 21 23 O 0.13944628768075 0.98155016076384 0.25806334154975 15.999 > 21 24 O 0.63944628768075 0.98155016076384 0.25806334154975 15.999 > 21 25 O 0.14821682743050 0.17543720641642 0.40860332511691 15.999 > 1 26 O 0.64821682743051 0.17543720641642 0.40860332511691 15.999 > 1 27 O 0.14821682743050 0.67543720641643 0.40860332511691 15.999 > 1 28 O 0.64821682743051 0.67543720641643 0.40860332511691 15.999 > 1 29 O 0.02722037898592 0.35178317256949 0.40860332511691 15.999 > 5 30 O 0.52722037898592 0.35178317256949 0.40860332511691 15.999 > 5 31 O 0.02722037898592 0.85178317256949 0.40860332511691 15.999 > 5 32 O 0.52722037898592 0.85178317256949 0.40860332511691 15.999 > 5 33 O 0.32456279358357 0.47277962101408 0.40860332511691 15.999 > 9 34 O 0.82456279358357 0.47277962101408 0.40860332511691 15.999 > 9 35 O 0.32456279358357 0.97277962101408 0.40860332511691 15.999 > 9 36 O 0.82456279358357 0.97277962101408 0.40860332511691 15.999 > 9 37 O 0.35178317256949 0.32456279358357 0.59139667488309 15.999 > 13 38 O 0.85178317256949 0.32456279358357 0.59139667488309 15.999 > 13 39 O 0.35178317256949 0.82456279358357 0.59139667488309 15.999 > 13 40 O 0.85178317256949 0.82456279358357 0.59139667488309 15.999 > 13 41 O 0.17543720641642 0.02722037898592 0.59139667488309 15.999 > 17 42 O 0.67543720641643 0.02722037898592 0.59139667488309 15.999 > 17 43 O 0.17543720641642 0.52722037898592 0.59139667488309 15.999 > 17 44 O 0.67543720641643 0.52722037898592 0.59139667488309 15.999 > 17 45 O 0.47277962101408 0.14821682743050 0.59139667488309 15.999 > 21 46 O 0.97277962101408 0.14821682743050 0.59139667488309 15.999 > 21 47 O 0.47277962101408 0.64821682743051 0.59139667488309 15.999 > 21 48 O 0.97277962101408 0.64821682743051 0.59139667488309 15.999 > 21 49 O 0.48155016076384 0.34210387308309 0.74193665845025 15.999 > 1 50 O 0.98155016076384 0.34210387308309 0.74193665845025 15.999 > 1 51 O 0.48155016076384 0.84210387308309 0.74193665845025 15.999 > 1 52 O 0.98155016076384 0.84210387308309 0.74193665845025 15.999 > 1 53 O 0.36055371231925 0.01844983923616 0.74193665845025 15.999 > 5 54 O 0.86055371231925 0.01844983923616 0.74193665845025 15.999 > 5 55 O 0.36055371231925 0.51844983923616 0.74193665845025 15.999 > 5 56 O 0.86055371231925 0.51844983923616 0.74193665845025 15.999 > 5 57 O 0.15789612691691 0.13944628768075 0.74193665845025 15.999 > 9 58 O 0.65789612691691 0.13944628768075 0.74193665845025 15.999 > 9 59 O 0.15789612691691 0.63944628768075 0.74193665845025 15.999 > 9 60 O 0.65789612691691 0.63944628768075 0.74193665845025 15.999 > 9 61 O 0.18511650590283 0.49122946025024 0.92473000821642 15.999 > 13 62 O 0.68511650590283 0.49122946025024 0.92473000821642 15.999 > 13 63 O 0.18511650590283 0.99122946025024 0.92473000821642 15.999 > 13 64 O 0.68511650590283 0.99122946025024 0.92473000821642 15.999 > 13 65 O 0.00877053974976 0.19388704565259 0.92473000821642 15.999 > 17 66 O 0.50877053974976 0.19388704565259 0.92473000821642 15.999 > 17 67 O 0.00877053974976 0.69388704565259 0.92473000821642 15.999 > 17 68 O 0.50877053974976 0.69388704565259 0.92473000821642 15.999 > 17 69 O 0.30611295434741 0.31488349409717 0.92473000821642 15.999 > 21 70 O 0.80611295434741 0.31488349409717 0.92473000821642 15.999 > 21 71 O 0.30611295434741 0.81488349409717 0.92473000821642 15.999 > 21 72 O 0.80611295434741 0.81488349409717 0.92473000821642 15.999 > 21 73 Na 0.00000000000000 0.00000000000000 0.13784839559791 22.990 > 73 74 Na 0.50000000000000 0.00000000000000 0.13784839559791 22.990 > 73 75 Na 0.00000000000000 0.50000000000000 0.13784839559791 22.990 > 73 76 Na 0.50000000000000 0.50000000000000 0.13784839559791 22.990 > 73 77 Na 0.33333333333333 0.16666666666667 0.19548493773542 22.990 > 77 78 Na 0.83333333333333 0.16666666666667 0.19548493773542 22.990 > 77 79 Na 0.33333333333333 0.66666666666667 0.19548493773542 22.990 > 77 80 Na 0.83333333333333 0.66666666666667 0.19548493773542 22.990 > 77 81 Na 0.33333333333333 0.16666666666667 0.47118172893124 22.990 > 73 82 Na 0.83333333333333 0.16666666666667 0.47118172893124 22.990 > 73 83 Na 0.33333333333333 0.66666666666667 0.47118172893124 22.990 > 73 84 Na 0.83333333333333 0.66666666666667 0.47118172893124 22.990 > 73 85 Na 0.16666666666667 0.33333333333333 0.52881827106876 22.990 > 77 86 Na 0.66666666666667 0.33333333333333 0.52881827106876 22.990 > 77 87 Na 0.16666666666667 0.83333333333333 0.52881827106876 22.990 > 77 88 Na 0.66666666666667 0.83333333333333 0.52881827106876 22.990 > 77 89 Na 0.16666666666667 0.33333333333333 0.80451506226458 22.990 > 73 90 Na 0.66666666666667 0.33333333333333 0.80451506226458 22.990 > 73 91 Na 0.16666666666667 0.83333333333333 0.80451506226458 22.990 > 73 92 Na 0.66666666666667 0.83333333333333 0.80451506226458 22.990 > 73 93 Na 0.00000000000000 0.00000000000000 0.86215160440209 22.990 > 77 94 Na 0.50000000000000 0.00000000000000 0.86215160440209 22.990 > 77 95 Na 0.00000000000000 0.50000000000000 0.86215160440209 22.990 > 77 96 Na 0.50000000000000 0.50000000000000 0.86215160440209 22.990 > 77 97 Bi 0.16666666666667 0.33333333333333 0.00953794509611 208.980 > 97 98 Bi 0.66666666666667 0.33333333333333 0.00953794509611 208.980 > 97 99 Bi 0.16666666666667 0.83333333333333 0.00953794509611 208.980 > 97 100 Bi 0.66666666666667 0.83333333333333 0.00953794509611 208.980 > 97 101 Bi 0.16666666666667 0.33333333333333 0.32379538823723 208.980 > 101 102 Bi 0.66666666666667 0.33333333333333 0.32379538823723 208.980 > 101 103 Bi 0.16666666666667 0.83333333333333 0.32379538823723 208.980 > 101 104 Bi 0.66666666666667 0.83333333333333 0.32379538823723 208.980 > 101 105 Bi 0.00000000000000 0.00000000000000 0.34287127842944 208.980 > 97 106 Bi 0.50000000000000 0.00000000000000 0.34287127842944 208.980 > 97 107 Bi 0.00000000000000 0.50000000000000 0.34287127842944 208.980 > 97 108 Bi 0.50000000000000 0.50000000000000 0.34287127842944 208.980 > 97 109 Bi 0.00000000000000 0.00000000000000 0.65712872157056 208.980 > 101 110 Bi 0.50000000000000 0.00000000000000 0.65712872157056 208.980 > 101 111 Bi 0.00000000000000 0.50000000000000 0.65712872157056 208.980 > 101 112 Bi 0.50000000000000 0.50000000000000 0.65712872157056 208.980 > 101 113 Bi 0.33333333333333 0.16666666666667 0.67620461176277 208.980 > 97 114 Bi 0.83333333333333 0.16666666666667 0.67620461176277 208.980 > 97 115 Bi 0.33333333333333 0.66666666666667 0.67620461176277 208.980 > 97 116 Bi 0.83333333333333 0.66666666666667 0.67620461176277 208.980 > 97 117 Bi 0.33333333333333 0.16666666666667 0.99046205490389 208.980 > 101 118 Bi 0.83333333333333 0.16666666666667 0.99046205490389 208.980 > 101 119 Bi 0.33333333333333 0.66666666666667 0.99046205490389 208.980 > 101 120 Bi 0.83333333333333 0.66666666666667 0.99046205490389 208.980 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0513918 -0.0000013 0.0000000 0.0000013 5.0513918 0.0000000 0.0000000 0.0000000 3.3526378 -------------------------- Born effective charges -------------------------- 1 O -1.4268673 0.0346918 -0.0180951 0.0843893 -2.7377746 0.0496162 -0.2178562 -0.0455540 -1.2327557 2 O -2.4616114 0.5130204 0.0520165 0.5627180 -1.7030305 -0.0091373 0.0694772 0.2114460 -1.2327557 3 O -2.3584841 -0.6222585 -0.0339214 -0.5725610 -1.8061578 -0.0404789 0.1483790 -0.1658920 -1.2327557 4 O -1.4268673 0.0346918 -0.0180951 0.0843893 -2.7377746 0.0496162 -0.2178562 -0.0455540 -1.2327557 5 O -2.3584841 -0.6222585 -0.0339214 -0.5725610 -1.8061578 -0.0404789 0.1483790 -0.1658920 -1.2327557 6 O -2.4616114 0.5130204 0.0520165 0.5627180 -1.7030305 -0.0091373 0.0694772 0.2114460 -1.2327557 7 Na 1.0859192 0.0466894 0.0000000 -0.0466894 1.0859192 -0.0000000 0.0000000 0.0000000 1.4322672 8 Na 1.0859192 0.0466894 0.0000000 -0.0466894 1.0859192 -0.0000000 0.0000000 0.0000000 1.4322672 9 Bi 5.1610437 0.0278569 0.0000000 -0.0278569 5.1610437 -0.0000000 0.0000000 0.0000000 2.2660001 10 Bi 5.1610437 0.0278569 0.0000000 -0.0278569 5.1610437 -0.0000000 0.0000000 0.0000000 2.2660001 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 11 ] 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: 0.79, Number of G-points: 297, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/226) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 4.749 ( 0.000 0.000 0.000) 0.000 4.749 ( 0.000 0.000 0.000) 0.000 5.052 ( 0.000 0.000 0.000) 0.000 5.135 ( 0.000 0.000 0.000) 0.000 5.135 ( 0.000 0.000 0.000) 0.000 5.323 ( 0.000 0.000 0.000) 0.000 5.495 ( 0.000 0.000 0.000) 0.000 5.495 ( 0.000 0.000 0.000) 0.000 6.437 ( 0.000 0.000 0.000) 0.000 6.437 ( 0.000 0.000 0.000) 0.000 7.095 ( 0.000 0.000 0.000) 0.000 7.429 ( 0.000 0.000 0.000) 0.000 7.536 ( 0.000 0.000 0.000) 0.000 7.536 ( 0.000 0.000 0.000) 0.000 12.554 ( 0.000 0.000 0.000) 0.000 12.554 ( 0.000 0.000 0.000) 0.000 12.854 ( 0.000 0.000 0.000) 0.000 12.854 ( 0.000 0.000 0.000) 0.000 14.434 ( 0.000 0.000 0.000) 0.000 14.527 ( 0.000 0.000 0.000) 0.000 14.527 ( 0.000 0.000 0.000) 0.000 14.784 ( 0.000 0.000 0.000) 0.000 16.335 ( 0.000 0.000 0.000) 0.000 16.335 ( 0.000 0.000 0.000) 0.000 16.454 ( 0.000 0.000 0.000) 0.000 16.616 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/226) ======================= q-point: ( 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( 8.047 12.626 7.627) 16.803 0.420 ( 17.676 9.678 7.156) 21.385 0.928 ( 42.007 22.195 3.824) 47.663 2.885 ( -2.408 -1.353 -0.684) 2.846 4.614 ( -9.364 -5.255 -8.728) 13.837 4.692 ( -4.669 -4.609 1.732) 6.786 5.007 ( -6.203 -4.997 5.390) 9.618 5.131 ( -1.565 0.473 -1.603) 2.289 5.188 ( -1.828 -0.137 7.111) 7.343 5.369 ( 1.219 2.248 4.274) 4.980 5.497 ( 0.218 -0.928 2.973) 3.122 5.538 ( 3.372 3.013 2.898) 5.371 6.417 ( -3.203 0.277 2.006) 3.789 6.439 ( 1.932 -1.387 -1.841) 3.007 7.105 ( 0.808 0.485 -0.481) 1.058 7.393 ( -2.966 -1.783 -0.737) 3.538 7.554 ( 2.172 0.754 -1.166) 2.578 8.922 ( 5.666 2.910 -11.241) 12.920 12.547 ( 0.440 -1.572 -1.138) 1.990 12.619 ( 4.952 4.288 1.064) 6.636 12.848 ( -1.024 0.237 0.247) 1.080 14.065 ( 6.169 3.578 -25.100) 26.094 14.430 ( -2.729 -2.337 4.030) 5.399 14.547 ( 1.359 0.542 2.075) 2.539 14.786 ( -0.474 -0.299 2.866) 2.920 16.300 ( -2.888 1.772 -5.728) 6.655 16.340 ( 0.317 0.514 -0.111) 0.614 16.441 ( -0.528 -0.595 -0.517) 0.948 16.598 ( 7.202 1.949 -12.816) 14.830 16.812 ( 0.838 0.106 3.243) 3.352 ======================= Grid point 2 (3/226) ======================= q-point: ( 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 11.223 12.641 6.173) 17.996 0.827 ( 16.577 9.341 6.579) 20.133 1.791 ( 37.106 19.771 2.427) 42.115 2.811 ( -3.689 -1.784 -1.121) 4.248 4.348 ( -9.323 -6.960 -7.555) 13.873 4.549 ( -7.797 -6.131 2.609) 10.256 4.873 ( -6.670 -5.517 -0.633) 8.679 5.040 ( -4.261 -3.802 -6.993) 9.029 5.162 ( -3.404 -0.153 3.953) 5.219 5.407 ( -4.420 5.005 5.030) 8.360 5.527 ( 1.573 -1.842 6.641) 7.069 5.677 ( 5.626 4.111 4.371) 8.226 6.365 ( -5.310 0.220 3.496) 6.361 6.456 ( 3.923 -2.088 -3.311) 5.542 7.115 ( 0.154 0.391 -1.198) 1.270 7.301 ( -4.615 -2.981 -1.217) 5.627 7.606 ( 4.184 1.124 -1.883) 4.723 8.999 ( 5.725 3.047 -4.646) 7.978 12.530 ( 1.414 -3.101 -1.993) 3.948 12.771 ( 2.459 4.396 2.024) 5.428 12.850 ( 3.562 3.503 0.287) 5.003 14.051 ( 2.643 1.626 -13.569) 13.919 14.370 ( -3.290 -3.050 1.365) 4.690 14.598 ( 2.040 1.191 2.512) 3.448 14.801 ( -0.234 -0.516 5.939) 5.966 16.226 ( -3.408 1.971 -7.566) 8.529 16.353 ( 0.471 0.985 -0.222) 1.115 16.428 ( -0.455 -0.652 0.926) 1.221 16.667 ( 5.954 0.497 -5.692) 8.252 16.848 ( 1.197 0.700 1.510) 2.049 ======================= Grid point 3 (4/226) ======================= q-point: ( 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 13.967 12.490 4.378) 19.241 1.192 ( 13.863 7.836 5.672) 16.904 2.415 ( 14.498 6.639 0.533) 15.955 2.801 ( 8.581 6.675 -1.674) 11.000 4.134 ( -3.282 -7.925 -4.762) 9.811 4.377 ( -8.762 -3.029 2.540) 9.612 4.648 ( -10.450 -9.408 -4.209) 14.677 4.916 ( -3.027 -1.684 -3.675) 5.050 5.131 ( -1.418 -0.873 0.516) 1.744 5.377 ( -8.850 5.194 5.491) 11.638 5.576 ( 1.480 -2.285 7.940) 8.394 5.808 ( 3.109 3.098 2.414) 5.009 6.303 ( -4.533 -0.027 4.641) 6.488 6.483 ( 3.995 -1.866 -4.384) 6.218 7.093 ( -1.356 -1.358 -1.732) 2.585 7.191 ( -4.455 -2.233 -1.429) 5.184 7.683 ( 5.024 1.129 -1.874) 5.480 9.102 ( 5.393 3.194 -2.070) 6.600 12.516 ( 3.010 -4.619 -2.475) 6.043 12.745 ( -5.468 1.558 0.939) 5.762 13.073 ( 11.281 8.345 2.017) 14.176 14.026 ( 0.704 0.901 -9.214) 9.284 14.287 ( -3.721 -3.580 0.763) 5.220 14.655 ( 1.673 2.132 1.309) 3.010 14.839 ( 0.757 -0.896 8.342) 8.424 16.149 ( -2.803 1.458 -7.212) 7.874 16.370 ( 0.394 1.545 -0.321) 1.627 16.426 ( -0.001 -0.680 1.607) 1.745 16.726 ( 4.851 -0.670 -4.701) 6.788 16.876 ( 0.376 1.200 0.907) 1.550 ======================= Grid point 4 (5/226) ======================= q-point: ( 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 14.027 11.766 2.300) 18.453 1.474 ( 9.997 4.877 4.681) 12.068 2.390 ( -7.935 -5.372 -0.752) 9.611 3.149 ( 14.800 10.530 -1.921) 18.265 4.026 ( -0.193 -8.244 -2.608) 8.649 4.281 ( -5.339 -1.531 -1.768) 5.829 4.394 ( -3.345 -2.572 -0.788) 4.293 4.859 ( -1.601 -0.610 -0.955) 1.962 5.107 ( 0.848 -2.390 -1.865) 3.148 5.277 ( -12.756 3.482 6.778) 14.859 5.621 ( 1.374 -2.638 7.971) 8.508 5.842 ( -1.926 2.104 -2.405) 3.731 6.297 ( 0.274 -0.205 6.448) 6.457 6.491 ( 1.756 -0.658 -5.417) 5.733 7.035 ( -1.125 -3.997 -0.502) 4.183 7.106 ( -3.846 0.408 -2.315) 4.507 7.759 ( 3.973 0.849 -1.291) 4.263 9.198 ( 3.879 2.478 -0.779) 4.668 12.516 ( 4.927 -5.921 -2.558) 8.116 12.668 ( -7.209 3.252 1.140) 7.990 13.346 ( 11.063 7.421 2.126) 13.490 13.982 ( -1.847 0.301 -5.838) 6.130 14.200 ( -3.076 -3.488 0.512) 4.679 14.703 ( 0.997 2.254 0.230) 2.475 14.895 ( 1.268 -0.940 7.604) 7.767 16.085 ( -1.873 0.778 -5.404) 5.772 16.391 ( 0.281 2.238 -0.517) 2.314 16.430 ( 0.335 -1.284 1.877) 2.299 16.754 ( 2.939 -1.300 -4.078) 5.192 16.895 ( -0.091 1.281 0.678) 1.452 ======================= Grid point 5 (6/226) ======================= q-point: ( 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 4.286 4.387 0.344) 6.142 1.703 ( 10.163 5.070 2.999) 11.746 2.170 ( -9.368 -5.722 -1.282) 11.052 3.376 ( 5.764 3.899 -0.003) 6.958 3.933 ( -2.432 -1.604 -2.666) 3.949 4.089 ( -5.075 -5.916 -0.424) 7.806 4.554 ( 10.145 5.696 -1.128) 11.689 4.826 ( -2.084 -0.941 1.019) 2.503 5.091 ( 4.391 -6.858 -5.308) 9.720 5.129 ( -13.026 5.439 7.825) 16.140 5.661 ( 1.248 -1.935 5.208) 5.694 5.793 ( -2.425 1.470 -3.829) 4.765 6.359 ( 2.238 -0.419 5.688) 6.127 6.464 ( -0.815 0.352 -5.093) 5.169 6.999 ( 0.596 -2.898 0.832) 3.073 7.047 ( -2.523 1.262 -1.945) 3.426 7.805 ( 1.489 0.320 -0.451) 1.588 9.256 ( 1.411 0.933 -0.181) 1.701 12.537 ( 6.001 -5.796 -2.062) 8.594 12.596 ( -6.924 4.754 1.495) 8.531 13.564 ( 6.574 3.800 1.322) 7.707 13.906 ( -3.352 -0.754 -2.351) 4.163 14.143 ( -0.960 -1.491 0.109) 1.777 14.730 ( 0.341 0.946 -0.032) 1.007 14.937 ( 0.610 -0.375 3.090) 3.172 16.046 ( -0.679 0.224 -2.069) 2.189 16.413 ( 0.151 2.591 -1.026) 2.791 16.429 ( 0.155 -2.183 1.665) 2.750 16.758 ( 0.925 -0.605 -1.736) 2.058 16.904 ( -0.076 0.513 0.267) 0.583 ======================= Grid point 12 (7/226) ======================= q-point: ( 0.09 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 2.368 13.414 11.608) 17.897 0.480 ( 5.944 15.285 15.688) 22.696 0.941 ( -3.810 45.991 5.517) 46.477 2.879 ( 0.066 -2.760 -1.216) 3.017 4.567 ( 0.446 -8.628 -10.630) 13.698 4.666 ( -2.828 -7.007 -3.166) 8.193 5.051 ( -3.548 -8.612 2.736) 9.708 5.163 ( 4.608 -8.281 6.888) 11.716 5.242 ( -0.182 0.963 9.383) 9.434 5.367 ( 1.518 -2.568 4.551) 5.442 5.502 ( -0.127 0.889 1.118) 1.434 5.572 ( 1.286 1.285 10.139) 10.300 6.376 ( 0.075 -4.586 -2.300) 5.131 6.485 ( -0.760 3.396 2.951) 4.563 7.103 ( -0.048 1.054 -0.728) 1.282 7.388 ( -0.185 -3.311 -1.293) 3.559 7.567 ( -0.611 2.954 0.366) 3.039 8.827 ( -0.622 14.662 -19.877) 24.708 12.549 ( -3.433 0.015 -1.035) 3.585 12.614 ( 2.757 5.867 0.668) 6.517 12.841 ( 1.504 -1.022 -0.633) 1.925 13.899 ( -0.555 20.893 -34.166) 40.052 14.470 ( -0.922 -4.064 5.297) 6.740 14.528 ( 0.096 0.312 -0.094) 0.339 14.804 ( -0.226 -0.000 3.532) 3.539 16.277 ( 7.199 1.772 -11.045) 13.303 16.323 ( -0.571 -0.805 -0.818) 1.282 16.430 ( -1.475 0.681 -1.858) 2.468 16.522 ( -3.425 9.818 -9.055) 13.789 16.839 ( -0.447 1.464 2.453) 2.892 ======================= Grid point 13 (8/226) ======================= q-point: ( 0.18 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 6.916 10.145 15.623) 19.870 0.802 ( 7.208 17.494 8.785) 20.861 1.557 ( 22.034 36.929 2.996) 43.107 2.827 ( -1.845 -3.221 -1.374) 3.958 4.362 ( -6.995 -9.062 -10.057) 15.238 4.524 ( -1.978 -9.947 -2.893) 10.546 4.929 ( -4.923 -4.263 -0.669) 6.547 5.046 ( -6.758 -8.256 -1.665) 10.799 5.255 ( -4.290 -0.240 4.587) 6.286 5.440 ( 6.377 -6.398 9.324) 12.983 5.560 ( 0.517 4.944 2.313) 5.482 5.680 ( 2.962 2.487 9.937) 10.663 6.330 ( 2.469 -5.920 -2.405) 6.851 6.498 ( -4.398 4.483 2.967) 6.946 7.116 ( 0.528 1.639 -0.913) 1.949 7.315 ( -2.760 -4.679 -2.105) 5.826 7.582 ( -0.577 3.892 -1.484) 4.205 8.904 ( 5.778 7.700 -9.937) 13.835 12.483 ( -1.826 -1.896 -3.572) 4.437 12.771 ( 6.491 8.822 2.688) 11.278 12.854 ( 0.392 -0.471 0.939) 1.122 13.932 ( 3.817 8.916 -20.265) 22.467 14.407 ( -3.781 -3.335 2.682) 5.711 14.579 ( 3.431 0.420 2.565) 4.304 14.823 ( -0.020 -0.493 5.077) 5.101 16.269 ( -3.050 1.630 -7.335) 8.109 16.349 ( 3.295 0.085 -2.361) 4.054 16.414 ( 0.343 -0.802 0.422) 0.969 16.548 ( 2.858 4.753 -6.601) 8.621 16.864 ( -0.027 2.193 1.895) 2.898 ======================= Grid point 14 (9/226) ======================= q-point: ( 0.27 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 7.291 13.345 10.233) 18.330 1.147 ( 9.890 15.611 6.479) 19.583 2.229 ( 20.885 21.822 1.813) 30.260 2.772 ( 0.140 0.403 -1.427) 1.489 4.108 ( -6.779 -9.136 -7.235) 13.482 4.387 ( -1.483 -9.393 -2.737) 9.896 4.731 ( -11.664 -7.705 -1.233) 14.034 4.908 ( -1.273 -2.434 -4.144) 4.972 5.173 ( -5.102 -3.559 0.978) 6.297 5.523 ( 3.629 -5.910 10.258) 12.382 5.605 ( -3.255 5.621 4.140) 7.703 5.803 ( 3.066 1.971 6.415) 7.378 6.324 ( 4.075 -5.458 -0.450) 6.826 6.463 ( -5.965 4.235 1.376) 7.444 7.119 ( -2.280 0.947 -0.565) 2.533 7.210 ( -2.481 -3.694 -2.684) 5.197 7.615 ( 2.425 2.623 -2.694) 4.474 9.024 ( 6.430 5.264 -4.902) 9.648 12.418 ( 0.265 -4.087 -4.440) 6.040 12.849 ( -2.632 2.040 1.646) 3.715 13.006 ( 9.177 9.451 3.281) 13.576 13.948 ( 2.751 3.952 -13.162) 14.015 14.324 ( -4.135 -3.620 2.056) 5.868 14.657 ( 2.604 1.938 2.895) 4.349 14.855 ( 0.856 -1.459 7.137) 7.334 16.183 ( -3.903 2.026 -7.697) 8.865 16.378 ( 1.001 1.511 -0.980) 2.060 16.418 ( 0.641 -1.675 1.520) 2.351 16.608 ( 4.733 1.801 -5.941) 7.806 16.894 ( 0.065 1.835 1.242) 2.217 ======================= Grid point 15 (10/226) ======================= q-point: ( 0.36 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 10.154 13.664 6.514) 18.227 1.455 ( 6.542 14.362 3.746) 16.220 2.446 ( -3.735 -2.412 0.845) 4.526 2.984 ( 15.944 12.319 -1.725) 20.222 3.918 ( -1.448 -9.316 -3.759) 10.150 4.265 ( -2.113 -9.499 -4.133) 10.572 4.492 ( -8.436 -0.695 -0.642) 8.489 4.869 ( -0.651 0.402 -2.324) 2.447 5.053 ( -2.255 -7.389 -2.524) 8.127 5.547 ( -4.480 1.406 6.997) 8.427 5.622 ( -1.762 -1.151 9.931) 10.152 5.862 ( -0.410 0.246 0.845) 0.971 6.333 ( 0.139 -1.877 2.448) 3.088 6.433 ( -0.261 1.495 -1.247) 1.964 7.043 ( -3.769 -3.508 0.184) 5.152 7.155 ( -2.591 2.097 -2.804) 4.356 7.676 ( 4.802 0.798 -2.571) 5.505 9.144 ( 5.328 3.814 -2.539) 7.027 12.371 ( 2.677 -5.471 -4.282) 7.445 12.826 ( -5.177 4.624 1.735) 7.155 13.264 ( 9.787 8.299 2.909) 13.157 13.951 ( 1.620 2.182 -8.526) 8.949 14.229 ( -4.374 -4.195 1.921) 6.358 14.721 ( 0.703 2.875 1.667) 3.397 14.903 ( 1.512 -2.128 8.106) 8.516 16.103 ( -2.928 1.775 -6.463) 7.314 16.401 ( 0.958 1.223 -1.456) 2.129 16.421 ( 0.191 -1.138 2.097) 2.393 16.663 ( 4.193 1.090 -4.722) 6.408 16.910 ( -0.237 0.826 0.575) 1.034 ======================= Grid point 16 (11/226) ======================= q-point: ( 0.45 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 11.165 11.715 4.048) 16.682 1.650 ( -0.091 12.712 0.992) 12.751 2.274 ( -10.475 -6.083 -0.001) 12.113 3.282 ( 10.543 4.806 -0.451) 11.595 3.856 ( 5.075 -7.067 -1.081) 8.768 4.052 ( -6.529 -12.852 -2.384) 14.611 4.520 ( 4.438 11.518 -3.661) 12.875 4.858 ( -1.103 1.349 -0.018) 1.743 4.942 ( 1.286 -10.412 -4.916) 11.586 5.479 ( -14.266 7.080 7.867) 17.763 5.640 ( 1.033 -6.326 10.527) 12.325 5.807 ( -2.619 -1.405 -5.149) 5.945 6.348 ( 1.525 0.113 1.889) 2.430 6.449 ( 0.845 0.593 -0.950) 1.403 6.975 ( -0.726 -3.801 2.275) 4.489 7.115 ( -3.946 4.410 -2.924) 6.601 7.744 ( 4.636 -0.603 -1.725) 4.983 9.229 ( 3.039 2.103 -1.455) 3.971 12.360 ( 5.214 -5.591 -3.493) 8.405 12.791 ( -7.004 6.903 1.673) 9.975 13.493 ( 8.262 5.543 1.478) 10.058 13.935 ( -1.554 0.368 -3.291) 3.658 14.141 ( -2.148 -3.414 0.581) 4.075 14.750 ( -0.783 1.801 1.218) 2.311 14.943 ( 0.549 -1.630 5.193) 5.470 16.054 ( -1.301 1.448 -3.513) 4.016 16.405 ( 0.883 -2.245 -0.594) 2.484 16.433 ( -0.173 1.975 0.416) 2.026 16.715 ( 3.166 1.642 -2.278) 4.232 16.908 ( -0.336 -0.458 -0.070) 0.573 ======================= Grid point 17 (12/226) ======================= q-point: (-0.45 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -6.956 8.727 -0.716) 11.183 1.794 ( -4.956 2.176 -0.565) 5.442 2.114 ( 1.680 0.914 1.816) 2.638 3.394 ( 0.419 -1.944 -0.196) 1.998 3.880 ( 2.181 -10.574 0.953) 10.839 3.948 ( 10.248 0.215 1.753) 10.399 4.669 ( 0.027 6.122 -5.853) 8.470 4.821 ( -1.806 -1.598 -1.902) 3.071 4.893 ( 6.118 -2.547 -3.515) 7.501 5.324 ( -14.787 5.045 5.802) 16.666 5.648 ( 0.839 -3.394 1.633) 3.859 5.754 ( 1.081 -3.082 1.197) 3.479 6.364 ( -1.016 1.434 -4.993) 5.293 6.468 ( 1.464 -0.625 4.394) 4.673 6.981 ( 2.707 -2.568 3.811) 5.333 7.087 ( -3.369 6.010 -2.308) 7.266 7.787 ( 2.494 -1.435 -0.780) 2.981 9.260 ( 0.202 0.301 -0.937) 1.004 12.396 ( 7.210 -4.724 -2.801) 9.063 12.752 ( -7.492 8.120 1.899) 11.210 13.603 ( -0.756 0.297 -1.512) 1.716 13.891 ( -0.246 -1.373 3.203) 3.494 14.124 ( 1.807 0.228 -1.219) 2.192 14.745 ( -1.664 -0.184 1.431) 2.203 14.940 ( -1.269 -0.770 -0.492) 1.564 16.051 ( 0.309 1.149 0.561) 1.315 16.389 ( 0.548 -2.837 -0.397) 2.916 16.447 ( -0.562 1.995 -0.611) 2.161 16.770 ( 1.827 2.401 0.575) 3.072 16.892 ( -0.109 -1.505 -0.662) 1.648 ======================= Grid point 18 (13/226) ======================= q-point: (-0.36 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -19.366 -2.353 -1.113) 19.540 1.607 ( -10.895 1.742 -3.381) 11.539 2.304 ( 9.586 5.568 2.068) 11.277 3.263 ( -9.179 -8.430 1.505) 12.553 3.948 ( 11.844 -3.335 -0.455) 12.313 4.194 ( 12.938 5.146 5.661) 15.031 4.484 ( -13.273 -2.745 -3.815) 14.081 4.843 ( 1.816 1.948 -0.919) 2.817 5.008 ( 9.077 2.553 -6.703) 11.569 5.214 ( -4.523 0.766 2.018) 5.011 5.623 ( -1.280 0.680 -3.253) 3.561 5.783 ( 3.420 -5.070 5.786) 8.419 6.297 ( -3.447 1.239 -6.455) 7.422 6.522 ( 1.800 -0.463 4.660) 5.017 7.040 ( 3.948 -1.528 3.219) 5.318 7.098 ( -1.435 6.713 -1.096) 6.952 7.787 ( -0.391 -1.721 -0.000) 1.765 9.233 ( -2.452 -1.045 -0.502) 2.712 12.463 ( 7.420 -3.524 -2.956) 8.730 12.729 ( -6.092 8.037 2.690) 10.438 13.455 ( -10.764 -5.316 -1.656) 12.119 13.958 ( 4.277 0.018 4.853) 6.469 14.173 ( 3.296 2.260 -0.917) 4.100 14.713 ( -2.098 -1.672 1.591) 3.119 14.887 ( -2.308 -0.208 -5.558) 6.022 16.088 ( 1.304 0.865 4.067) 4.358 16.370 ( 0.522 -2.488 -0.274) 2.557 16.443 ( -1.072 1.075 -0.834) 1.732 16.814 ( -0.417 2.216 1.296) 2.600 16.875 ( 0.398 -1.497 -0.261) 1.571 ======================= Grid point 19 (14/226) ======================= q-point: (-0.27 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -20.518 -3.099 -2.008) 20.847 1.376 ( -16.462 -0.503 -2.545) 16.665 2.470 ( 3.657 1.494 0.887) 4.049 2.969 ( -17.461 -9.605 2.297) 20.060 4.137 ( 12.793 0.910 -3.027) 13.177 4.265 ( -5.303 2.423 0.225) 5.835 4.533 ( 15.386 4.196 3.262) 16.278 4.895 ( 2.809 2.089 0.593) 3.550 5.104 ( 3.540 0.947 -2.259) 4.305 5.213 ( 4.206 -1.037 -2.052) 4.793 5.591 ( -2.313 2.163 -2.554) 4.068 5.793 ( 0.187 -5.981 2.791) 6.603 6.241 ( -0.114 0.917 -4.124) 4.226 6.554 ( -0.560 0.424 2.387) 2.488 7.102 ( 2.475 -0.875 2.871) 3.890 7.152 ( 1.953 5.324 -1.149) 5.786 7.744 ( -2.925 -1.592 0.396) 3.353 9.164 ( -4.273 -1.455 0.086) 4.515 12.520 ( 4.687 -1.791 -3.622) 6.189 12.742 ( -2.486 6.018 3.290) 7.295 13.194 ( -12.957 -6.350 -0.488) 14.438 14.047 ( 2.735 0.063 5.679) 6.304 14.252 ( 3.925 2.601 -1.016) 4.817 14.669 ( -2.356 -1.831 1.327) 3.266 14.811 ( -1.671 -0.247 -7.477) 7.666 16.150 ( 1.716 0.794 6.154) 6.438 16.357 ( 0.540 -2.063 0.291) 2.152 16.427 ( -0.901 0.254 -0.961) 1.342 16.798 ( -2.208 -0.271 -1.120) 2.490 16.881 ( -0.398 0.729 1.662) 1.858 ======================= Grid point 20 (15/226) ======================= q-point: (-0.18 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -19.912 0.387 -1.715) 19.990 1.048 ( -20.123 -3.558 -0.262) 20.437 2.235 ( -30.992 -7.811 -0.982) 31.976 2.774 ( 1.120 -0.007 1.162) 1.614 4.295 ( 7.234 3.122 2.819) 8.369 4.364 ( 12.837 1.236 -5.610) 14.063 4.795 ( 10.314 1.689 1.417) 10.547 4.992 ( 6.196 2.955 -0.242) 6.869 5.138 ( 1.010 -1.465 3.758) 4.158 5.280 ( 5.316 1.066 -3.026) 6.209 5.561 ( -3.133 3.209 -1.118) 4.622 5.704 ( -4.440 -6.420 0.233) 7.809 6.269 ( 4.079 0.525 -1.243) 4.296 6.537 ( -2.756 0.534 -0.054) 2.808 7.129 ( -0.064 0.043 1.507) 1.509 7.242 ( 5.026 2.309 -0.613) 5.565 7.674 ( -4.122 -1.138 0.172) 4.279 9.078 ( -4.866 -0.907 0.591) 4.985 12.541 ( 1.924 -0.313 -3.629) 4.120 12.786 ( -0.213 3.421 2.565) 4.282 12.936 ( -11.884 -5.026 1.033) 12.944 14.111 ( 0.977 0.161 6.000) 6.081 14.328 ( 3.842 1.830 -2.260) 4.818 14.614 ( -2.941 -1.293 -0.349) 3.231 14.762 ( 0.393 -0.260 -4.391) 4.417 16.225 ( 1.866 1.312 6.715) 7.092 16.348 ( 0.182 -2.222 1.164) 2.515 16.416 ( 0.274 0.150 -1.280) 1.318 16.741 ( -3.026 -0.629 -1.814) 3.583 16.876 ( -2.081 0.795 0.778) 2.360 ======================= Grid point 21 (16/226) ======================= q-point: (-0.09 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -17.508 5.463 -0.061) 18.341 0.679 ( -21.563 -3.974 4.607) 22.405 1.547 ( -44.214 -0.118 -1.703) 44.247 2.839 ( 4.106 0.012 0.187) 4.111 4.491 ( 12.410 -0.962 0.480) 12.457 4.539 ( 10.767 1.245 -3.680) 11.446 4.924 ( 5.812 -0.504 -0.629) 5.868 5.106 ( 5.360 1.136 -3.570) 6.539 5.157 ( 0.608 -2.444 5.532) 6.078 5.356 ( 1.499 2.976 1.050) 3.494 5.533 ( -3.399 0.356 0.016) 3.417 5.574 ( -4.850 -1.921 2.011) 5.591 6.348 ( 4.641 0.520 0.838) 4.744 6.484 ( -2.803 -0.375 -1.824) 3.365 7.123 ( -1.144 0.011 0.218) 1.165 7.336 ( 5.071 0.132 -0.401) 5.089 7.601 ( -3.578 -0.253 -0.730) 3.660 9.002 ( -4.130 0.134 -0.501) 4.162 12.542 ( 0.977 -0.060 -3.267) 3.410 12.730 ( -10.121 0.196 2.222) 10.364 12.833 ( 1.080 -0.201 1.589) 1.932 14.146 ( 0.163 0.086 0.684) 0.708 14.380 ( 3.152 0.149 -2.126) 3.804 14.559 ( -2.225 -0.152 -0.102) 2.232 14.764 ( 1.080 -0.020 0.145) 1.090 16.304 ( 1.567 2.164 3.808) 4.651 16.335 ( 0.066 -2.668 1.732) 3.181 16.424 ( 1.292 0.065 -0.801) 1.522 16.676 ( -2.988 0.355 -3.119) 4.334 16.839 ( -2.892 0.052 -0.314) 2.910 ======================= Grid point 23 (17/226) ======================= q-point: ( 0.09 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -2.336 19.807 2.858) 20.148 0.752 ( -10.937 10.644 15.230) 21.561 1.608 ( -21.533 35.880 5.114) 42.157 2.821 ( 2.160 -3.725 -1.755) 4.650 4.379 ( 5.152 -6.879 -9.106) 12.521 4.595 ( 1.848 -8.759 -0.887) 8.996 4.967 ( 6.280 -6.206 2.035) 9.061 5.054 ( 3.182 -3.100 -1.554) 4.706 5.193 ( 4.864 -4.892 3.808) 7.880 5.371 ( 0.064 -2.992 2.114) 3.664 5.586 ( -6.967 -0.542 3.601) 7.862 5.609 ( 1.290 1.357 8.353) 8.560 6.323 ( -0.643 -5.254 -1.293) 5.449 6.539 ( 1.803 5.504 3.887) 6.975 7.108 ( -0.005 0.769 -1.450) 1.641 7.330 ( 2.458 -3.338 -1.013) 4.267 7.605 ( -0.433 4.255 -0.329) 4.290 8.918 ( -5.589 7.944 -9.534) 13.610 12.591 ( 1.279 1.821 2.419) 3.287 12.696 ( -6.806 6.974 -1.702) 9.892 12.800 ( 0.429 -2.475 -2.229) 3.358 13.949 ( -3.628 8.942 -17.653) 20.119 14.425 ( 3.607 -2.333 1.529) 4.560 14.574 ( -3.386 -0.190 1.317) 3.638 14.839 ( -0.416 -0.219 7.291) 7.306 16.149 ( 1.890 -0.023 -11.785) 11.936 16.324 ( -1.154 -0.994 -0.823) 1.731 16.432 ( 0.058 -0.613 0.194) 0.645 16.630 ( -3.984 6.501 -4.959) 9.096 16.872 ( 0.254 2.187 1.977) 2.959 ======================= Grid point 24 (18/226) ======================= q-point: ( 0.18 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 1.737 14.607 9.225) 17.363 0.913 ( 3.626 13.178 13.393) 19.136 1.819 ( -1.818 41.466 3.779) 41.678 2.794 ( 0.496 -4.067 -1.861) 4.500 4.283 ( -1.481 -8.100 -9.833) 12.825 4.465 ( -3.564 -10.196 -2.900) 11.184 4.940 ( -1.842 -3.504 -1.272) 4.158 5.029 ( -1.656 -10.228 0.637) 10.381 5.281 ( 8.697 -8.422 5.887) 13.462 5.323 ( -2.965 -3.603 0.758) 4.727 5.570 ( 2.457 1.570 5.660) 6.367 5.701 ( 2.982 0.931 7.138) 7.792 6.251 ( -0.684 -4.957 -1.924) 5.361 6.626 ( -1.710 6.398 5.257) 8.455 7.112 ( 0.858 0.767 -1.258) 1.705 7.290 ( -1.705 -4.761 -1.804) 5.370 7.647 ( -0.875 4.944 0.292) 5.030 8.887 ( -0.816 9.500 -9.827) 13.693 12.530 ( -6.945 -0.310 -1.964) 7.224 12.755 ( 4.734 3.155 1.195) 5.813 12.828 ( 3.512 5.200 -0.869) 6.335 13.912 ( -1.487 11.306 -16.139) 19.761 14.443 ( -1.042 -4.207 3.282) 5.437 14.541 ( 1.139 1.290 -0.211) 1.734 14.867 ( -1.135 -0.027 7.824) 7.906 16.177 ( 7.330 1.221 -11.136) 13.387 16.288 ( -1.015 -1.500 -1.467) 2.330 16.427 ( -0.289 -0.379 0.768) 0.904 16.603 ( -3.661 6.439 -3.709) 8.284 16.902 ( -0.406 2.424 1.550) 2.906 ======================= Grid point 25 (19/226) ======================= q-point: ( 0.27 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 6.439 11.628 12.819) 18.466 1.181 ( 7.727 13.559 6.334) 16.842 2.265 ( 7.806 32.270 2.525) 33.297 2.757 ( 0.429 -0.797 -1.836) 2.047 4.085 ( -6.123 -8.441 -8.324) 13.343 4.305 ( -2.284 -9.127 -3.376) 9.995 4.822 ( -9.211 -10.369 -0.904) 13.899 4.882 ( -1.078 -1.231 -2.587) 3.060 5.201 ( -4.152 -8.483 -1.261) 9.529 5.396 ( 8.534 -9.565 10.404) 16.509 5.673 ( 2.428 2.816 3.206) 4.909 5.800 ( 3.780 0.561 5.172) 6.430 6.214 ( 2.591 -3.366 -0.556) 4.284 6.648 ( -6.973 6.384 5.039) 10.713 7.143 ( 2.109 1.593 -0.534) 2.697 7.182 ( -3.284 -5.811 -2.766) 7.225 7.654 ( -3.462 5.087 -1.164) 6.262 8.954 ( 4.625 7.168 -6.668) 10.827 12.402 ( -4.957 -2.012 -3.891) 6.615 12.840 ( 4.826 -1.341 0.455) 5.030 13.002 ( 5.821 11.304 3.051) 13.075 13.908 ( -0.530 8.355 -12.557) 15.092 14.371 ( -4.000 -3.809 2.267) 5.970 14.621 ( 5.218 1.342 1.732) 5.659 14.893 ( -1.284 -0.050 8.340) 8.439 16.196 ( -0.488 1.183 -9.690) 9.774 16.285 ( 5.231 -2.278 -2.866) 6.385 16.427 ( -0.259 0.078 1.476) 1.501 16.596 ( -1.559 5.417 -2.899) 6.339 16.922 ( -0.564 1.775 1.238) 2.236 ======================= Grid point 26 (20/226) ======================= q-point: ( 0.36 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 6.292 11.646 9.588) 16.345 1.494 ( 10.249 14.625 3.205) 18.144 2.503 ( -2.527 2.634 2.153) 4.238 2.890 ( 9.378 15.656 -2.083) 18.369 3.868 ( -5.395 -8.166 -4.990) 10.985 4.180 ( -1.414 -7.770 -4.537) 9.109 4.595 ( -7.234 -5.033 -0.589) 8.833 4.863 ( 0.215 0.893 -1.479) 1.741 5.011 ( -5.215 -11.507 -4.437) 13.390 5.488 ( 6.355 -10.770 12.386) 17.600 5.724 ( -0.072 2.222 1.268) 2.560 5.874 ( 1.581 0.868 1.497) 2.344 6.267 ( 5.092 -0.489 1.593) 5.358 6.575 ( -10.715 4.167 3.934) 12.151 7.061 ( -3.274 -5.052 -2.137) 6.388 7.193 ( 0.863 3.174 0.326) 3.305 7.637 ( -1.224 2.829 -2.778) 4.150 9.072 ( 6.027 4.932 -3.942) 8.728 12.297 ( -1.887 -3.299 -3.973) 5.499 12.901 ( 1.883 1.611 1.106) 2.714 13.225 ( 6.972 9.434 3.096) 12.132 13.911 ( 0.430 5.614 -8.829) 10.472 14.276 ( -4.548 -4.420 2.069) 6.671 14.726 ( 3.794 2.549 1.175) 4.719 14.921 ( -0.617 -1.201 9.270) 9.368 16.128 ( -2.593 1.548 -7.429) 8.019 16.328 ( 4.532 -2.707 -3.521) 6.345 16.438 ( 0.010 0.850 1.389) 1.628 16.623 ( 0.946 4.478 -2.552) 5.240 16.927 ( -0.815 0.298 0.713) 1.123 ======================= Grid point 27 (21/226) ======================= q-point: ( 0.45 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 7.979 10.259 5.965) 14.300 1.782 ( 5.232 16.278 0.986) 17.127 2.395 ( -9.330 -3.655 1.061) 10.076 3.156 ( 9.303 7.192 -0.801) 11.786 3.731 ( -0.021 -6.761 -1.309) 6.886 4.028 ( -4.899 -9.670 -2.514) 11.128 4.542 ( 1.161 6.845 -4.259) 8.145 4.794 ( -1.422 -14.214 -5.950) 15.475 4.886 ( 0.137 2.670 0.028) 2.673 5.543 ( 4.243 -9.795 11.851) 15.950 5.738 ( -0.283 0.402 0.614) 0.787 5.857 ( -6.869 1.883 -0.162) 7.124 6.349 ( 1.574 2.512 1.101) 3.162 6.469 ( -5.215 0.480 2.638) 5.864 6.967 ( -1.884 -4.036 -0.406) 4.473 7.219 ( -3.165 5.683 0.633) 6.535 7.650 ( 3.481 -0.415 -2.938) 4.574 9.180 ( 4.614 3.005 -2.330) 5.979 12.242 ( 1.521 -3.405 -3.217) 4.925 12.939 ( -2.024 5.026 1.391) 5.594 13.426 ( 7.144 6.189 1.344) 9.547 13.927 ( 0.774 3.272 -4.543) 5.652 14.166 ( -4.572 -4.916 1.676) 6.920 14.788 ( 0.176 3.001 -0.210) 3.014 14.952 ( 0.044 -2.395 8.348) 8.685 16.073 ( -1.673 2.059 -4.865) 5.541 16.341 ( 2.831 -3.253 -2.701) 5.088 16.457 ( 0.051 1.620 0.764) 1.792 16.680 ( 2.557 4.159 -1.610) 5.140 16.909 ( -0.978 -1.362 0.093) 1.679 ======================= Grid point 28 (22/226) ======================= q-point: ( 0.55 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 3.202 6.594 1.198) 7.428 1.981 ( -0.353 17.371 0.688) 17.388 2.176 ( -11.632 -4.658 0.886) 12.562 3.318 ( 6.925 0.130 -0.336) 6.934 3.700 ( 2.602 -10.143 0.179) 10.473 3.885 ( 0.515 -3.897 2.707) 4.773 4.613 ( 2.518 -3.358 -8.273) 9.277 4.693 ( 6.653 1.716 -6.397) 9.387 4.913 ( -0.927 2.841 1.548) 3.365 5.586 ( 3.499 -7.494 9.674) 12.728 5.649 ( -12.915 -2.064 -6.906) 14.790 5.751 ( -4.719 2.421 7.437) 9.135 6.371 ( -0.684 3.015 -1.659) 3.509 6.460 ( 0.669 -0.912 1.821) 2.144 6.932 ( 1.637 -3.139 1.351) 3.789 7.212 ( -4.971 7.046 0.325) 8.629 7.698 ( 5.069 -1.939 -1.890) 5.746 9.244 ( 1.969 1.277 -1.433) 2.750 12.248 ( 4.601 -2.578 -2.465) 5.821 12.942 ( -5.315 6.866 1.334) 8.784 13.575 ( 4.732 3.488 -1.410) 6.046 13.914 ( -2.433 -2.609 2.030) 4.104 14.094 ( 0.148 -0.998 -0.605) 1.176 14.790 ( -2.186 1.427 -0.043) 2.611 14.957 ( -1.440 -1.980 3.648) 4.394 16.063 ( 0.046 2.238 -1.046) 2.471 16.333 ( 1.919 -3.371 -2.024) 4.375 16.474 ( -0.460 1.716 0.320) 1.805 16.760 ( 2.946 4.047 -0.145) 5.008 16.875 ( -0.661 -2.530 -0.588) 2.680 ======================= Grid point 29 (23/226) ======================= q-point: (-0.36 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -11.475 -0.865 -2.747) 11.831 1.895 ( -17.129 8.608 -0.077) 19.171 2.222 ( 8.108 5.597 2.785) 10.238 3.316 ( -5.048 -5.469 0.305) 7.449 3.689 ( 11.054 -7.601 -0.355) 13.420 4.029 ( 12.997 0.505 3.431) 13.452 4.554 ( -0.226 -4.362 -2.181) 4.882 4.824 ( 4.577 6.829 -6.015) 10.187 4.931 ( 0.943 3.814 -1.692) 4.278 5.350 ( -13.707 -3.214 -5.858) 15.249 5.623 ( 1.984 -4.603 6.729) 8.391 5.754 ( -1.463 -0.940 7.309) 7.513 6.349 ( -3.939 3.103 -4.552) 6.772 6.486 ( 3.101 -1.764 2.196) 4.189 6.967 ( 4.202 -2.201 1.226) 4.899 7.205 ( -3.888 6.770 0.161) 7.809 7.743 ( 3.232 -1.732 -1.011) 3.804 9.252 ( -0.826 0.065 -0.825) 1.169 12.307 ( 6.449 -1.493 -2.472) 7.066 12.915 ( -6.440 6.343 1.518) 9.165 13.561 ( -7.146 -1.235 -2.537) 7.683 13.905 ( 3.967 -2.796 4.942) 6.926 14.130 ( 3.237 1.813 -1.059) 3.858 14.753 ( -2.897 -0.257 0.550) 2.960 14.909 ( -3.479 -1.079 -1.163) 3.823 16.100 ( 1.321 2.157 2.464) 3.531 16.321 ( 1.640 -3.132 -1.438) 3.817 16.473 ( -1.414 0.966 0.302) 1.739 16.826 ( 0.148 0.739 -1.888) 2.033 16.853 ( 1.844 0.212 1.289) 2.260 ======================= Grid point 30 (24/226) ======================= q-point: (-0.27 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -18.736 -1.510 -1.977) 18.900 1.687 ( -18.727 6.027 -0.194) 19.674 2.395 ( 7.006 1.052 1.725) 7.292 3.139 ( -10.348 -5.378 2.086) 11.848 3.861 ( 15.216 -2.410 -3.418) 15.780 4.261 ( 13.670 -3.531 -3.761) 14.611 4.490 ( -7.691 6.197 6.152) 11.636 4.873 ( 1.967 1.908 -0.692) 2.826 5.038 ( 6.177 7.033 -4.668) 10.459 5.150 ( -1.833 -5.237 -3.899) 6.782 5.637 ( 0.153 -2.950 4.586) 5.456 5.758 ( -1.002 -3.293 6.532) 7.383 6.277 ( -4.343 2.267 -2.810) 5.648 6.535 ( 3.022 -0.708 -0.277) 3.117 7.026 ( 4.790 -2.185 0.498) 5.288 7.212 ( -2.165 5.087 -0.412) 5.544 7.752 ( 0.077 -0.958 -0.882) 1.305 9.215 ( -3.038 -0.239 -0.317) 3.064 12.388 ( 6.421 -0.517 -3.452) 7.308 12.876 ( -5.267 3.629 2.031) 6.711 13.360 ( -12.604 -2.704 -0.077) 12.891 14.003 ( 5.755 -0.807 3.942) 7.023 14.199 ( 3.787 1.767 -1.787) 4.545 14.708 ( -2.582 -0.826 1.554) 3.125 14.822 ( -4.211 -0.526 -3.496) 5.498 16.167 ( 1.860 2.238 4.393) 5.269 16.313 ( 1.699 -2.998 -0.743) 3.525 16.451 ( -1.985 -0.068 0.381) 2.022 16.797 ( -0.546 -0.992 -3.144) 3.341 16.905 ( 0.701 1.918 1.508) 2.539 ======================= Grid point 31 (25/226) ======================= q-point: (-0.18 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -19.473 1.680 -0.757) 19.560 1.390 ( -21.901 0.676 1.965) 21.999 2.462 ( -1.189 -1.879 0.272) 2.240 2.901 ( -15.876 0.603 1.388) 15.948 4.062 ( 14.709 -1.920 -5.707) 15.894 4.302 ( 0.850 2.061 -1.796) 2.863 4.600 ( 11.181 -1.103 1.269) 11.307 4.941 ( 3.249 3.262 -2.227) 5.114 5.096 ( 2.857 -5.012 2.941) 6.476 5.213 ( 6.605 7.438 -0.601) 9.966 5.621 ( -0.723 -5.449 4.094) 6.854 5.726 ( -3.670 -1.008 4.192) 5.662 6.246 ( -0.353 1.547 0.356) 1.626 6.550 ( 0.136 -0.060 -3.140) 3.144 7.086 ( 4.722 -2.467 0.690) 5.372 7.222 ( -0.296 2.585 -1.501) 3.004 7.718 ( -2.681 -0.107 -1.470) 3.059 9.152 ( -4.413 0.317 -0.165) 4.427 12.456 ( 4.666 0.504 -4.680) 6.628 12.840 ( -2.496 -0.476 2.473) 3.546 13.136 ( -13.659 -0.020 2.085) 13.817 14.098 ( 3.704 -0.227 2.550) 4.503 14.257 ( 3.856 0.739 -3.907) 5.539 14.668 ( -3.533 -0.378 2.148) 4.152 14.749 ( -1.512 -0.053 -1.526) 2.149 16.246 ( 2.047 2.475 3.371) 4.656 16.311 ( 1.584 -3.328 1.304) 3.910 16.420 ( -1.409 -0.385 -0.038) 1.461 16.757 ( -1.506 0.351 -3.892) 4.188 16.918 ( -1.355 0.720 0.443) 1.597 ======================= Grid point 32 (26/226) ======================= q-point: (-0.09 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -18.514 2.958 1.813) 18.836 1.050 ( -21.345 0.666 4.778) 21.883 2.215 ( -30.253 7.301 -0.215) 31.122 2.784 ( 0.041 0.183 0.035) 0.190 4.227 ( 12.963 -3.036 -6.423) 14.782 4.397 ( 8.107 1.046 1.443) 8.300 4.760 ( 11.305 -3.691 -2.147) 12.085 4.996 ( 4.533 0.737 -5.856) 7.442 5.130 ( 2.601 -3.056 4.492) 6.024 5.382 ( 3.292 5.825 5.574) 8.708 5.544 ( -2.276 -8.743 2.953) 9.505 5.698 ( -4.659 4.119 4.868) 7.897 6.295 ( 3.599 0.268 3.136) 4.781 6.504 ( -2.404 0.039 -5.203) 5.732 7.124 ( 1.365 -1.453 0.173) 2.001 7.247 ( 3.789 -0.594 -1.731) 4.208 7.657 ( -3.823 1.223 -2.178) 4.566 9.079 ( -5.085 1.325 -1.197) 5.389 12.496 ( 2.539 1.575 -4.556) 5.449 12.814 ( -0.179 -3.760 2.489) 4.513 12.955 ( -12.346 3.822 2.775) 13.219 14.125 ( 0.283 -0.304 -5.025) 5.043 14.305 ( 4.454 -0.646 -1.403) 4.715 14.617 ( -3.581 0.994 1.766) 4.115 14.758 ( 0.940 0.162 3.420) 3.550 16.276 ( 1.469 -2.712 -3.362) 4.563 16.341 ( 0.675 0.760 5.271) 5.368 16.407 ( 0.414 0.009 -0.161) 0.444 16.712 ( -2.582 2.321 -4.699) 5.843 16.883 ( -2.725 -0.385 -0.303) 2.768 ======================= Grid point 34 (27/226) ======================= q-point: ( 0.09 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -8.378 17.283 4.984) 19.843 1.124 ( -12.371 11.986 8.937) 19.406 2.263 ( -20.173 21.590 2.159) 29.627 2.742 ( 0.782 -1.785 -2.410) 3.099 4.215 ( 4.416 -0.389 -5.735) 7.249 4.435 ( 6.483 -10.774 1.688) 12.687 4.773 ( 11.176 -7.188 -1.846) 13.415 4.945 ( 4.437 -1.314 -2.690) 5.353 5.122 ( 0.166 -3.752 0.271) 3.766 5.334 ( 0.786 -5.889 3.260) 6.777 5.632 ( -0.318 -1.343 6.073) 6.228 5.716 ( -6.159 -2.040 1.843) 6.745 6.295 ( -1.097 -3.474 2.372) 4.347 6.563 ( 4.156 5.571 2.509) 7.390 7.092 ( 0.746 -0.637 -2.827) 2.992 7.246 ( 4.550 -1.248 -0.167) 4.721 7.664 ( -2.290 4.133 -0.980) 4.826 9.031 ( -5.640 5.361 -4.658) 9.069 12.592 ( 2.376 2.363 2.280) 4.053 12.737 ( 2.280 -1.227 -3.112) 4.048 12.924 ( -12.704 6.219 -0.268) 14.147 13.970 ( -1.095 4.081 -9.627) 10.514 14.345 ( 4.008 -2.416 0.105) 4.681 14.627 ( -2.355 -0.037 1.105) 2.602 14.897 ( -0.582 0.103 10.091) 10.109 16.071 ( -0.376 -0.748 -10.462) 10.496 16.332 ( -1.697 -1.100 -1.161) 2.332 16.429 ( -0.241 -0.403 0.533) 0.711 16.713 ( -2.491 5.342 -4.178) 7.225 16.889 ( 0.874 1.240 1.794) 2.349 ======================= Grid point 35 (28/226) ======================= q-point: ( 0.18 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -4.059 20.113 2.099) 20.625 1.131 ( -6.555 11.272 14.315) 19.364 2.276 ( -8.236 28.073 2.687) 29.380 2.730 ( 1.257 -1.359 -2.683) 3.260 4.198 ( -0.859 -1.871 -6.867) 7.169 4.376 ( 0.397 -12.546 -1.477) 12.639 4.873 ( 7.884 -5.523 1.652) 9.767 4.949 ( 0.258 -6.900 -1.361) 7.037 5.105 ( 4.149 -6.307 0.314) 7.556 5.289 ( -0.675 -7.285 -1.263) 7.425 5.578 ( -0.258 -4.790 4.654) 6.684 5.716 ( 0.476 2.163 5.007) 5.475 6.241 ( -2.959 -2.727 1.202) 4.200 6.708 ( 3.290 6.131 5.399) 8.807 7.077 ( 1.180 -2.159 -2.510) 3.515 7.278 ( -0.566 -1.103 0.184) 1.253 7.689 ( 0.917 4.949 -0.550) 5.063 8.971 ( -4.806 6.999 -6.563) 10.731 12.634 ( -1.619 -1.176 3.389) 3.936 12.701 ( -2.813 -2.920 -4.162) 5.810 12.877 ( -0.342 13.153 -1.489) 13.241 13.959 ( -1.059 7.940 -9.057) 12.091 14.380 ( 3.895 -3.953 0.773) 5.603 14.582 ( -3.493 0.872 -0.452) 3.628 14.941 ( -1.186 -0.303 11.200) 11.267 16.037 ( 3.515 1.583 -10.672) 11.347 16.285 ( -1.480 -1.546 -1.583) 2.662 16.428 ( 0.055 -0.338 0.710) 0.788 16.695 ( -3.107 5.286 -3.573) 7.097 16.928 ( 0.735 1.616 1.265) 2.180 ======================= Grid point 36 (29/226) ======================= q-point: ( 0.27 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 1.455 15.170 5.225) 16.110 1.273 ( 0.362 10.646 11.001) 15.313 2.484 ( 1.341 16.382 2.693) 16.656 2.758 ( 0.894 11.874 -3.088) 12.301 4.079 ( -5.993 -2.730 -7.068) 9.661 4.239 ( -1.712 -10.091 -2.406) 10.514 4.807 ( -4.551 -10.845 -2.642) 12.055 4.908 ( -1.663 -0.056 -0.189) 1.675 5.104 ( 3.435 -15.186 3.931) 16.058 5.219 ( 5.675 -7.866 -0.646) 9.721 5.635 ( 5.492 -2.378 5.611) 8.204 5.776 ( 1.732 2.057 2.270) 3.518 6.184 ( -1.477 -1.439 1.328) 2.453 6.821 ( -1.529 6.897 5.895) 9.201 7.070 ( 2.777 -3.862 -2.346) 5.304 7.210 ( -4.614 -1.309 -0.698) 4.847 7.748 ( -0.947 5.336 0.053) 5.420 8.950 ( -0.646 6.845 -6.404) 9.396 12.494 ( -9.833 -0.824 -2.216) 10.113 12.715 ( 6.708 -3.373 -1.168) 7.599 13.047 ( 4.280 13.144 1.728) 13.930 13.965 ( -2.400 8.997 -7.923) 12.226 14.383 ( -0.171 -5.190 1.584) 5.429 14.569 ( 2.006 2.074 -0.582) 2.944 14.980 ( -1.924 0.275 11.176) 11.344 16.077 ( 6.082 1.451 -10.600) 12.307 16.239 ( -1.089 -1.794 -1.573) 2.623 16.432 ( 0.214 -0.147 0.987) 1.020 16.674 ( -2.994 5.109 -3.002) 6.639 16.951 ( -0.257 1.036 1.010) 1.469 ======================= Grid point 37 (30/226) ======================= q-point: ( 0.36 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 6.587 13.606 7.593) 16.916 1.454 ( 6.768 8.934 5.096) 12.312 2.544 ( -0.253 -4.082 1.636) 4.405 2.977 ( 2.472 24.428 -2.151) 24.647 3.894 ( -8.319 -3.205 -4.636) 10.048 4.123 ( -1.763 -5.073 -4.244) 6.845 4.611 ( -4.334 -9.423 -1.461) 10.474 4.882 ( -1.376 2.243 -0.789) 2.747 4.943 ( -4.516 -15.197 -2.677) 16.078 5.308 ( 10.629 -11.739 8.996) 18.213 5.706 ( 2.644 -2.168 1.109) 3.595 5.837 ( 3.184 1.351 -0.331) 3.475 6.209 ( 3.412 0.759 3.023) 4.621 6.829 ( -9.597 5.880 5.071) 12.345 7.025 ( -0.406 -5.799 -3.173) 6.623 7.185 ( 2.179 1.837 0.682) 2.931 7.734 ( -5.966 4.216 -0.517) 7.323 9.008 ( 4.295 5.299 -4.633) 8.245 12.329 ( -7.055 -1.517 -2.572) 7.661 12.807 ( 8.237 -1.909 -0.844) 8.498 13.249 ( 4.487 10.959 2.992) 12.214 13.959 ( -3.128 8.200 -6.013) 10.639 14.307 ( -3.434 -5.061 0.857) 6.176 14.662 ( 6.126 1.698 0.102) 6.357 15.007 ( -2.782 0.224 10.838) 11.191 16.106 ( 2.272 1.811 -10.525) 10.919 16.215 ( 2.280 -2.760 -1.067) 3.735 16.444 ( 0.508 0.296 0.985) 1.147 16.667 ( -1.659 5.022 -2.303) 5.769 16.949 ( -1.139 -0.298 0.874) 1.466 ======================= Grid point 38 (31/226) ======================= q-point: ( 0.45 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 3.932 10.621 6.308) 12.964 1.757 ( 13.452 10.663 1.913) 17.272 2.471 ( -3.449 -5.934 0.961) 6.930 3.170 ( 0.201 13.257 -1.026) 13.298 3.732 ( -6.073 -1.554 -0.840) 6.325 4.013 ( -4.208 -4.708 -3.830) 7.385 4.529 ( 2.269 -1.637 -2.677) 3.872 4.683 ( -6.184 -13.348 -6.379) 16.034 4.904 ( 0.816 2.685 0.533) 2.856 5.409 ( 8.230 -12.748 12.761) 19.827 5.703 ( 0.716 -2.453 -2.937) 3.893 5.894 ( 2.623 1.714 -2.272) 3.870 6.318 ( 5.334 2.047 3.096) 6.498 6.688 ( -13.898 2.732 2.891) 14.456 6.955 ( -1.762 -3.167 -1.357) 3.870 7.277 ( 3.764 3.824 2.347) 5.857 7.651 ( -5.800 1.461 -1.905) 6.277 9.113 ( 5.502 3.416 -2.781) 7.048 12.219 ( -3.265 -1.304 -1.861) 3.978 12.925 ( 7.175 0.302 -0.180) 7.184 13.416 ( 3.428 7.774 2.077) 8.747 13.955 ( -2.211 6.041 -3.493) 7.320 14.198 ( -4.231 -5.433 0.616) 6.914 14.768 ( 4.615 2.060 -1.697) 5.331 15.016 ( -3.105 -1.137 10.494) 11.003 16.083 ( -0.536 2.588 -7.025) 7.506 16.233 ( 3.960 -3.604 -2.203) 5.790 16.465 ( 0.782 0.863 0.634) 1.326 16.693 ( 0.473 5.015 -1.494) 5.254 16.919 ( -1.797 -1.851 0.680) 2.667 ======================= Grid point 39 (32/226) ======================= q-point: ( 0.55 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 4.517 8.799 3.230) 10.405 2.034 ( 7.212 8.421 0.777) 11.114 2.341 ( -7.299 -2.825 0.285) 7.832 3.247 ( 1.497 4.191 -0.228) 4.456 3.660 ( -3.729 -1.032 1.490) 4.146 3.865 ( -3.772 -7.718 0.408) 8.600 4.459 ( 1.259 -11.369 -5.591) 12.732 4.620 ( 4.917 8.888 -7.509) 12.632 4.945 ( 0.546 1.544 1.565) 2.265 5.482 ( 5.963 -11.656 12.751) 18.276 5.647 ( -1.710 -3.451 -6.203) 7.302 5.914 ( -1.668 2.147 -1.035) 2.910 6.424 ( 2.539 2.561 1.267) 3.823 6.516 ( -10.626 2.375 2.187) 11.106 6.894 ( -0.833 -3.333 -0.315) 3.450 7.365 ( -2.876 7.039 3.291) 8.285 7.591 ( 2.197 -2.282 -2.913) 4.304 9.203 ( 3.851 1.707 -1.463) 4.459 12.181 ( 0.539 -0.301 -1.092) 1.254 13.023 ( 2.628 2.380 0.370) 3.565 13.535 ( 3.568 5.163 -0.079) 6.276 13.942 ( -2.848 -0.644 -0.141) 2.923 14.099 ( -2.308 -2.127 0.157) 3.142 14.815 ( 0.627 2.180 -3.831) 4.452 15.004 ( -3.028 -2.414 8.517) 9.356 16.075 ( 0.183 3.090 -3.235) 4.477 16.244 ( 3.237 -3.979 -1.936) 5.482 16.489 ( 0.541 1.149 0.204) 1.287 16.757 ( 2.295 4.637 -0.483) 5.196 16.868 ( -1.937 -2.853 0.255) 3.458 ======================= Grid point 40 (33/226) ======================= q-point: (-0.36 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -5.738 4.982 -0.949) 7.658 2.106 ( -0.632 -3.289 1.646) 3.732 2.261 ( -4.921 8.846 0.276) 10.126 3.324 ( 2.222 2.808 -0.924) 3.698 3.536 ( -3.220 -8.138 2.045) 8.988 3.843 ( 7.613 -5.055 -0.228) 9.141 4.458 ( 6.836 -0.421 0.685) 6.884 4.767 ( 6.750 10.634 -7.511) 14.665 4.956 ( -0.796 -0.460 1.146) 1.469 5.458 ( -8.399 -4.141 -9.467) 13.316 5.549 ( 3.095 -11.321 11.418) 16.374 5.877 ( -4.950 1.938 3.205) 6.207 6.435 ( -4.607 5.248 -1.001) 7.055 6.451 ( -0.505 -0.792 0.508) 1.068 6.882 ( 3.281 -3.340 0.139) 4.684 7.345 ( -6.273 4.724 0.905) 7.905 7.648 ( 6.062 -0.387 -1.257) 6.203 9.248 ( 1.240 0.467 -0.553) 1.435 12.212 ( 3.408 0.924 -1.068) 3.689 13.044 ( -2.896 1.913 0.648) 3.531 13.621 ( 0.266 4.677 -2.586) 5.351 13.852 ( -1.322 -7.154 3.262) 7.973 14.104 ( 1.618 1.851 0.062) 2.459 14.793 ( -2.110 1.165 -3.777) 4.481 14.965 ( -3.979 -1.837 4.573) 6.334 16.110 ( 1.518 3.041 -0.040) 3.399 16.245 ( 2.623 -3.956 -1.026) 4.856 16.501 ( -0.488 0.847 0.148) 0.988 16.812 ( -0.850 -3.472 -0.057) 3.575 16.840 ( 2.415 4.332 -0.308) 4.969 ======================= Grid point 41 (34/226) ======================= q-point: (-0.27 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -15.464 0.530 -1.197) 15.519 2.014 ( -13.379 3.273 -0.107) 13.774 2.300 ( 4.661 -2.091 1.483) 5.320 3.256 ( -7.500 0.474 0.321) 7.522 3.609 ( 12.008 -0.390 -0.404) 12.021 3.965 ( 13.921 -4.889 -3.368) 15.134 4.629 ( 5.269 7.184 6.191) 10.849 4.894 ( -2.718 1.312 0.956) 3.166 4.975 ( 6.711 8.443 -5.311) 12.022 5.167 ( -11.408 -5.205 -9.053) 15.465 5.562 ( 3.465 -12.671 10.754) 16.977 5.842 ( -3.846 1.205 4.127) 5.769 6.371 ( -5.577 1.022 -0.604) 5.702 6.476 ( 2.358 2.596 -2.327) 4.209 6.922 ( 4.947 -3.042 -0.307) 5.816 7.292 ( -3.843 1.617 -0.612) 4.213 7.723 ( 2.776 1.633 -1.263) 3.459 9.249 ( -1.144 0.073 0.103) 1.151 12.285 ( 4.746 1.962 -2.081) 5.541 12.982 ( -5.106 -1.575 1.103) 5.456 13.540 ( -10.362 1.878 -1.115) 10.589 13.892 ( 7.931 -3.268 3.001) 9.087 14.154 ( 2.455 1.565 -0.931) 3.056 14.743 ( -2.242 0.268 -2.324) 3.240 14.895 ( -5.451 -0.562 2.051) 5.852 16.172 ( 2.464 2.324 0.438) 3.415 16.248 ( 2.216 -3.312 1.088) 4.130 16.487 ( -1.933 -0.046 0.489) 1.995 16.773 ( -0.087 -1.778 -1.631) 2.414 16.908 ( 1.750 2.557 -0.063) 3.100 ======================= Grid point 42 (35/226) ======================= q-point: (-0.18 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -17.697 2.666 0.208) 17.898 1.739 ( -19.906 -2.497 1.093) 20.092 2.373 ( 6.914 -3.959 0.375) 7.976 3.158 ( -9.754 5.424 0.807) 11.190 3.806 ( 12.209 1.338 -2.940) 12.629 4.152 ( 15.000 -1.496 -4.566) 15.750 4.627 ( -12.985 0.361 1.402) 13.066 4.905 ( 4.161 3.208 -1.488) 5.461 5.003 ( 2.324 -4.271 -2.749) 5.586 5.194 ( 7.379 10.474 3.466) 13.273 5.538 ( 2.369 -14.297 8.729) 16.917 5.821 ( -3.021 1.782 3.481) 4.942 6.295 ( -3.633 -0.577 1.318) 3.907 6.519 ( 1.425 3.264 -5.035) 6.167 6.976 ( 5.380 -2.843 -0.296) 6.093 7.244 ( -1.890 -0.781 -1.556) 2.570 7.747 ( -0.926 2.316 -2.173) 3.308 9.219 ( -2.980 0.570 0.347) 3.053 12.370 ( 4.622 2.976 -3.640) 6.593 12.880 ( -4.072 -5.327 1.950) 6.983 13.374 ( -12.348 2.996 1.305) 12.773 14.013 ( 7.192 -1.624 1.656) 7.557 14.190 ( 2.153 0.721 -3.772) 4.403 14.712 ( -1.045 -0.013 0.564) 1.188 14.813 ( -5.487 0.698 1.954) 5.866 16.210 ( 2.554 -1.794 -3.314) 4.552 16.288 ( 2.140 0.681 5.425) 5.871 16.449 ( -2.412 -0.662 0.545) 2.560 16.754 ( -0.072 0.355 -2.790) 2.813 16.936 ( -0.151 0.790 -0.720) 1.079 ======================= Grid point 43 (36/226) ======================= q-point: (-0.09 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -18.703 4.369 2.332) 19.347 1.397 ( -18.743 -2.005 3.049) 19.095 2.441 ( 3.446 -0.972 -0.200) 3.586 3.002 ( -17.903 8.387 -0.338) 19.773 3.987 ( 10.999 1.410 -4.202) 11.859 4.317 ( 5.160 1.384 -1.771) 5.628 4.514 ( 7.305 -6.301 -2.016) 9.856 4.919 ( 1.413 -1.793 -3.352) 4.056 5.078 ( 4.468 1.417 0.428) 4.707 5.408 ( 3.755 2.412 8.205) 9.340 5.484 ( 1.952 -8.938 6.171) 11.035 5.819 ( -2.615 2.837 3.563) 5.252 6.272 ( 0.608 -1.914 3.617) 4.137 6.512 ( -1.459 2.785 -6.799) 7.491 7.043 ( 5.552 -1.851 -0.049) 5.852 7.199 ( -0.177 -2.399 -2.302) 3.330 7.721 ( -3.182 2.922 -2.571) 5.027 9.169 ( -4.474 1.545 -0.277) 4.741 12.446 ( 3.516 4.222 -4.416) 7.049 12.790 ( -1.209 -6.812 2.532) 7.367 13.218 ( -12.793 4.746 2.507) 13.873 14.075 ( 1.940 -1.173 -4.445) 4.989 14.217 ( 4.242 -0.540 -1.732) 4.614 14.693 ( -2.938 0.366 1.355) 3.256 14.786 ( -1.012 1.391 5.367) 5.636 16.197 ( 1.696 -3.362 -4.466) 5.842 16.365 ( 1.547 1.672 4.531) 5.071 16.411 ( -1.382 -0.583 0.119) 1.505 16.741 ( -1.012 2.554 -3.840) 4.721 16.913 ( -1.881 -0.624 -0.863) 2.161 ======================= Grid point 45 (37/226) ======================= q-point: ( 0.09 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -10.919 16.324 4.135) 20.070 1.452 ( -8.546 11.634 6.294) 15.748 2.460 ( 4.417 -3.473 -0.200) 5.622 2.923 ( -17.182 9.903 -2.969) 20.053 4.154 ( 7.089 0.500 -1.692) 7.305 4.251 ( 1.859 -5.867 -0.555) 6.180 4.494 ( 9.934 -6.658 -1.841) 12.099 4.880 ( 2.013 -0.211 -0.477) 2.080 5.104 ( -0.741 -0.600 -1.888) 2.116 5.272 ( 2.466 -6.935 4.510) 8.633 5.652 ( -1.795 -4.138 2.123) 4.986 5.755 ( -2.227 -4.219 0.447) 4.791 6.333 ( -1.946 0.713 6.645) 6.960 6.533 ( 5.176 3.013 -0.390) 6.002 7.040 ( 1.391 -2.336 -4.368) 5.145 7.169 ( 5.185 1.811 0.924) 5.569 7.735 ( -2.813 2.667 -0.628) 3.927 9.142 ( -4.982 3.713 -2.402) 6.661 12.573 ( 1.446 -4.038 2.574) 5.002 12.679 ( 3.654 5.372 -4.028) 7.644 13.206 ( -13.657 6.829 0.918) 15.296 13.952 ( 1.000 0.797 -5.284) 5.436 14.258 ( 3.807 -2.235 -0.151) 4.417 14.665 ( -1.975 -0.153 0.801) 2.137 14.961 ( 0.254 0.371 9.611) 9.621 16.027 ( -1.166 -0.211 -7.798) 7.888 16.343 ( -1.977 -1.280 -1.452) 2.767 16.441 ( -0.786 0.185 0.807) 1.141 16.757 ( -0.435 4.280 -4.985) 6.585 16.894 ( 0.357 -0.066 2.335) 2.363 ======================= Grid point 46 (38/226) ======================= q-point: ( 0.18 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -6.248 18.965 4.630) 20.498 1.459 ( -10.395 13.705 7.339) 18.701 2.472 ( 1.256 -2.432 0.769) 2.843 2.816 ( -7.072 14.559 -3.181) 16.496 4.202 ( 4.299 -14.537 -0.171) 15.160 4.220 ( -2.100 6.278 -4.446) 7.974 4.599 ( 14.197 -10.211 1.388) 17.543 4.886 ( 0.232 -3.089 -2.280) 3.847 5.064 ( -1.787 -0.634 -1.560) 2.455 5.230 ( -2.126 -8.265 -0.660) 8.559 5.542 ( -0.559 -7.791 1.284) 7.916 5.755 ( 0.257 0.498 4.853) 4.885 6.311 ( -4.933 0.185 4.587) 6.738 6.685 ( 7.754 3.113 3.399) 9.020 7.016 ( 1.441 -2.846 -3.363) 4.636 7.273 ( 2.917 2.789 1.384) 4.266 7.718 ( -0.898 2.720 -1.449) 3.210 9.081 ( -5.305 4.831 -3.790) 8.114 12.559 ( 3.012 -6.537 -0.139) 7.199 12.762 ( -1.265 5.004 -0.652) 5.202 13.075 ( -9.994 11.104 -1.281) 14.994 13.976 ( 1.874 4.233 -3.730) 5.945 14.281 ( 3.364 -3.986 -0.742) 5.268 14.639 ( -2.495 0.848 0.392) 2.664 15.016 ( -0.392 -0.600 10.951) 10.974 15.973 ( -0.187 1.986 -8.762) 8.986 16.288 ( -1.840 -1.695 -1.896) 3.139 16.434 ( -0.580 0.183 0.872) 1.063 16.756 ( -1.488 4.311 -4.416) 6.348 16.924 ( 1.518 0.228 1.691) 2.284 ======================= Grid point 47 (39/226) ======================= q-point: ( 0.27 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -7.203 15.473 1.877) 17.171 1.483 ( -6.063 11.841 9.518) 16.358 2.480 ( 3.084 -5.327 0.991) 6.235 2.927 ( 0.484 22.445 -2.493) 22.588 4.108 ( 0.751 -10.565 -3.476) 11.147 4.178 ( -5.558 3.420 -3.316) 7.320 4.765 ( 8.807 -7.986 -0.868) 11.920 4.782 ( 2.195 -10.349 1.440) 10.677 5.009 ( -4.563 -1.887 -1.666) 5.211 5.077 ( -0.295 -11.387 -2.089) 11.581 5.550 ( 4.410 -3.469 4.753) 7.353 5.795 ( 0.525 1.170 2.832) 3.109 6.248 ( -5.121 0.415 3.166) 6.035 6.849 ( 6.614 1.488 3.556) 7.656 6.999 ( 0.888 -1.480 -1.498) 2.285 7.283 ( -4.381 0.308 0.987) 4.501 7.768 ( 3.432 4.532 -1.418) 5.859 9.020 ( -4.562 4.857 -4.443) 8.009 12.561 ( 4.954 -5.156 -3.162) 7.818 12.663 ( -10.730 -0.119 0.781) 10.759 13.139 ( 0.901 14.835 0.190) 14.864 14.030 ( 0.258 6.649 -3.184) 7.377 14.296 ( 4.187 -5.638 0.574) 7.046 14.600 ( -3.173 1.992 -1.131) 3.914 15.068 ( -0.538 -0.377 11.509) 11.528 15.966 ( 2.653 2.667 -8.597) 9.384 16.234 ( -1.443 -1.800 -1.878) 2.974 16.436 ( -0.133 0.203 0.984) 1.014 16.741 ( -2.191 3.994 -3.741) 5.895 16.955 ( 1.028 -0.131 0.896) 1.370 ======================= Grid point 48 (40/226) ======================= q-point: ( 0.36 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 1.505 10.663 1.887) 10.933 1.575 ( -2.144 10.771 7.555) 13.329 2.469 ( 2.400 -7.836 0.826) 8.236 3.157 ( 1.961 20.876 -1.579) 21.028 3.991 ( -4.823 -3.599 -3.741) 7.086 4.106 ( -3.547 3.745 -4.195) 6.649 4.583 ( -5.666 -7.623 -4.572) 10.541 4.840 ( -0.777 -17.671 5.938) 18.659 4.935 ( -0.964 1.626 1.295) 2.291 5.032 ( 11.056 -10.387 -1.331) 15.228 5.626 ( 4.672 -2.631 2.493) 5.913 5.818 ( 0.525 0.409 0.353) 0.753 6.220 ( -1.181 1.945 3.201) 3.927 6.933 ( 3.539 -4.879 -1.379) 6.183 7.006 ( -2.439 4.428 3.145) 5.954 7.203 ( -3.579 0.134 0.156) 3.585 7.838 ( -0.906 4.058 -0.009) 4.158 8.994 ( -0.351 4.174 -4.046) 5.823 12.455 ( -10.170 -0.916 -1.467) 10.316 12.635 ( 7.751 -3.089 -1.630) 8.502 13.310 ( 2.933 11.877 2.026) 12.401 14.061 ( -2.359 7.068 -2.583) 7.887 14.291 ( 0.246 -5.591 0.616) 5.630 14.597 ( 2.268 1.754 -1.157) 3.091 15.113 ( -1.819 0.014 10.730) 10.883 15.999 ( 4.234 2.229 -8.793) 10.010 16.188 ( -0.906 -1.877 -1.096) 2.355 16.445 ( 0.268 0.317 0.909) 0.999 16.724 ( -1.831 3.843 -2.957) 5.184 16.961 ( -0.281 -0.940 0.719) 1.217 ======================= Grid point 49 (41/226) ======================= q-point: ( 0.45 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 10.507 4.906 2.118) 11.788 1.709 ( 2.418 12.142 4.679) 13.235 2.420 ( 0.552 -8.712 0.414) 8.739 3.309 ( -1.475 11.150 -0.338) 11.252 3.861 ( -6.984 0.464 0.128) 7.001 4.065 ( -6.395 7.494 -6.882) 12.018 4.437 ( -0.695 -7.545 -3.247) 8.243 4.652 ( -5.170 -11.311 0.563) 12.449 4.921 ( -0.399 1.091 0.249) 1.188 5.173 ( 13.635 -11.968 7.415) 19.599 5.652 ( 1.035 -2.275 -1.738) 3.044 5.841 ( 2.611 0.388 -1.910) 3.258 6.282 ( 3.423 2.508 3.190) 5.309 6.856 ( -4.878 -3.766 -3.191) 6.940 7.004 ( -5.135 2.838 3.607) 6.888 7.229 ( 4.866 1.922 0.842) 5.299 7.795 ( -7.905 2.169 0.683) 8.226 9.044 ( 4.325 2.922 -2.699) 5.876 12.298 ( -7.675 0.070 -0.174) 7.677 12.755 ( 10.739 -1.884 -1.809) 11.052 13.457 ( 2.335 7.352 2.356) 8.065 14.059 ( -4.044 6.340 -1.543) 7.677 14.210 ( -3.470 -4.946 -0.563) 6.068 14.679 ( 6.125 0.725 -1.402) 6.325 15.125 ( -3.516 -0.405 9.285) 9.937 16.034 ( 3.501 2.201 -8.727) 9.657 16.161 ( 0.399 -2.460 0.491) 2.540 16.461 ( 0.743 0.520 0.511) 1.041 16.726 ( -0.405 3.752 -1.815) 4.188 16.937 ( -1.666 -1.662 0.865) 2.507 ======================= Grid point 50 (42/226) ======================= q-point: ( 0.55 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 6.568 3.826 2.635) 8.045 1.960 ( 11.016 9.585 1.345) 14.664 2.330 ( -1.001 -9.072 -0.252) 9.130 3.333 ( -3.789 5.185 0.381) 6.433 3.791 ( -4.846 1.884 3.223) 6.117 3.914 ( -13.114 0.412 -3.985) 13.712 4.328 ( 0.235 -7.819 -2.972) 8.368 4.596 ( 2.754 5.696 -4.109) 7.544 4.943 ( 1.373 -0.715 1.554) 2.193 5.306 ( 10.399 -12.204 10.412) 19.117 5.610 ( -1.158 -1.981 -5.001) 5.503 5.879 ( 3.118 0.884 -4.179) 5.288 6.389 ( 4.679 2.059 1.900) 5.454 6.714 ( -7.985 0.259 -1.969) 8.228 6.932 ( -6.642 -0.492 2.082) 6.978 7.372 ( 8.080 3.306 1.409) 8.843 7.655 ( -10.375 0.141 0.735) 10.402 9.135 ( 5.215 1.429 -1.224) 5.544 12.214 ( -3.855 1.483 0.769) 4.202 12.911 ( 10.407 -0.726 -1.275) 10.510 13.546 ( 1.557 2.648 1.848) 3.585 14.016 ( -6.259 1.901 -1.421) 6.694 14.118 ( -2.119 -1.674 -0.130) 2.704 14.762 ( 4.549 0.505 -3.366) 5.681 15.099 ( -4.469 -1.228 7.545) 8.855 16.058 ( 2.531 2.347 -6.859) 7.678 16.159 ( 1.668 -3.068 1.664) 3.869 16.482 ( 1.065 0.569 -0.184) 1.221 16.761 ( 1.364 2.756 -0.187) 3.081 16.890 ( -2.674 -1.338 0.717) 3.074 ======================= Grid point 51 (43/226) ======================= q-point: (-0.36 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 6.185 3.018 1.106) 6.971 2.099 ( -4.620 0.466 -0.593) 4.681 2.289 ( 6.016 -3.983 -0.007) 7.215 3.336 ( 0.215 3.387 1.206) 3.602 3.636 ( -12.267 -6.361 -3.524) 14.260 3.759 ( -4.101 2.725 2.296) 5.433 4.365 ( 6.906 3.311 1.940) 7.900 4.728 ( 6.231 10.807 -4.712) 13.335 4.951 ( 0.473 -3.236 2.112) 3.893 5.392 ( 6.583 -11.604 9.581) 16.425 5.511 ( -4.623 -3.332 -6.207) 8.426 5.900 ( 1.624 0.497 -4.854) 5.143 6.465 ( 0.773 1.539 0.114) 1.726 6.599 ( -7.555 4.319 -0.383) 8.711 6.835 ( -2.996 -3.303 1.379) 4.668 7.489 ( -6.513 -3.358 -1.274) 7.438 7.548 ( 5.361 5.979 2.328) 8.361 9.211 ( 3.504 0.135 -0.103) 3.508 12.206 ( -0.457 3.024 0.880) 3.182 13.029 ( 4.895 -1.440 -0.691) 5.149 13.601 ( 4.095 -0.548 1.358) 4.349 13.885 ( -7.662 -1.760 -1.628) 8.028 14.111 ( 0.071 1.470 0.911) 1.731 14.787 ( 0.899 0.423 -5.040) 5.137 15.051 ( -4.476 -1.182 5.443) 7.145 16.086 ( 3.028 0.912 -4.695) 5.661 16.176 ( 1.832 -2.037 2.961) 4.034 16.501 ( 0.915 0.405 -0.724) 1.235 16.794 ( 0.167 -2.950 2.626) 3.954 16.858 ( -0.620 3.614 -1.383) 3.918 ======================= Grid point 52 (44/226) ======================= q-point: (-0.27 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -12.104 0.559 -0.566) 12.130 2.069 ( 6.384 -1.033 -0.498) 6.486 2.264 ( -4.325 -8.661 -0.323) 9.686 3.416 ( -4.695 -3.304 -1.198) 5.865 3.457 ( 4.766 9.423 0.312) 10.564 3.764 ( 2.824 0.097 0.078) 2.826 4.581 ( 10.155 7.935 2.298) 13.091 4.925 ( -0.568 -4.788 2.822) 5.586 4.938 ( 7.687 12.933 -0.579) 15.057 5.288 ( -12.643 -1.724 -9.982) 16.200 5.429 ( 4.453 -15.326 11.371) 19.596 5.888 ( -0.214 -0.105 -3.097) 3.106 6.436 ( -4.259 -0.295 0.017) 4.269 6.545 ( -4.581 6.094 -1.552) 7.780 6.818 ( 3.393 -3.266 0.972) 4.809 7.353 ( -5.108 -3.359 -1.075) 6.208 7.690 ( 4.236 4.810 -0.167) 6.411 9.249 ( 1.280 -0.475 0.641) 1.509 12.255 ( 1.716 4.297 -0.163) 4.630 13.013 ( -2.238 -5.502 0.228) 5.944 13.699 ( 2.313 4.156 -0.372) 4.771 13.743 ( -2.105 -5.519 0.589) 5.936 14.140 ( 0.992 1.390 0.499) 1.779 14.754 ( -1.179 0.058 -4.432) 4.586 14.994 ( -4.897 -0.025 3.219) 5.860 16.112 ( 3.450 -1.909 -3.419) 5.219 16.220 ( 1.955 0.578 4.192) 4.661 16.506 ( -0.244 -0.027 -0.640) 0.686 16.759 ( -1.097 -2.897 1.733) 3.549 16.902 ( 1.587 3.078 -1.291) 3.696 ======================= Grid point 53 (45/226) ======================= q-point: (-0.18 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -13.982 2.388 0.535) 14.194 1.975 ( -15.116 -8.524 -0.298) 17.356 2.186 ( 9.293 -6.859 -0.996) 11.593 3.338 ( -5.833 6.039 -0.591) 8.417 3.683 ( 9.001 8.855 0.520) 12.638 3.868 ( 11.957 -1.421 -1.879) 12.187 4.825 ( 9.511 7.732 -1.456) 12.344 4.863 ( -7.101 -3.621 2.575) 8.376 4.974 ( -12.000 -2.913 -8.952) 15.252 5.204 ( 7.960 12.108 6.494) 15.878 5.400 ( 2.810 -16.735 10.256) 19.827 5.868 ( -0.460 0.099 -1.327) 1.408 6.351 ( -4.497 -1.957 0.979) 5.001 6.540 ( -1.568 5.583 -4.280) 7.207 6.868 ( 4.724 -1.947 0.903) 5.189 7.248 ( -2.735 -4.024 -1.800) 5.188 7.766 ( 0.848 3.850 -1.742) 4.310 9.255 ( -0.609 -0.116 0.920) 1.109 12.332 ( 2.720 5.372 -1.936) 6.325 12.890 ( -4.166 -8.903 1.459) 9.937 13.592 ( -9.956 3.305 -0.101) 10.491 13.860 ( 9.987 -2.469 1.320) 10.372 14.161 ( 0.460 0.849 -1.819) 2.060 14.721 ( -0.439 -0.051 -1.258) 1.333 14.928 ( -5.564 1.105 1.993) 6.012 16.122 ( 2.890 -3.038 -2.906) 5.102 16.292 ( 2.389 1.806 4.364) 5.292 16.483 ( -1.941 -0.636 -0.108) 2.045 16.741 ( 0.269 -0.708 0.159) 0.774 16.933 ( 0.612 1.120 -1.659) 2.093 ======================= Grid point 54 (46/226) ======================= q-point: (-0.09 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -16.144 6.058 2.337) 17.400 1.634 ( -14.548 -7.536 0.843) 16.406 2.284 ( 9.881 -4.937 -1.022) 11.093 3.291 ( -8.435 6.628 -0.466) 10.737 3.877 ( 5.882 8.066 -1.304) 10.068 4.096 ( 16.991 -0.331 -2.832) 17.229 4.570 ( -16.408 -3.315 -2.025) 16.862 4.871 ( 0.374 -2.803 -1.474) 3.189 5.017 ( 6.490 6.037 -3.109) 9.394 5.332 ( 2.100 -16.916 9.022) 19.287 5.463 ( 5.773 7.978 9.066) 13.385 5.862 ( 0.067 0.183 -0.891) 0.912 6.288 ( -2.295 -1.356 3.426) 4.341 6.527 ( -1.401 2.969 -6.602) 7.374 6.944 ( 5.176 -0.087 1.177) 5.309 7.164 ( -1.186 -4.423 -2.690) 5.310 7.778 ( -1.689 3.148 -2.120) 4.155 9.238 ( -2.416 0.848 0.460) 2.601 12.420 ( 3.065 6.678 -3.375) 8.085 12.756 ( -2.442 -9.682 2.323) 10.252 13.467 ( -10.586 4.550 1.485) 11.618 13.977 ( 6.183 -2.388 -1.277) 6.750 14.157 ( 1.115 0.103 -2.586) 2.819 14.723 ( -0.114 -0.042 1.255) 1.261 14.873 ( -3.887 1.780 3.383) 5.452 16.115 ( 1.827 -2.850 -3.554) 4.909 16.372 ( 2.300 1.810 3.557) 4.606 16.438 ( -2.412 -0.896 -0.027) 2.574 16.748 ( 0.377 1.487 -1.621) 2.232 16.923 ( -0.907 -0.420 -1.511) 1.812 ======================= Grid point 56 (47/226) ======================= q-point: ( 0.09 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -8.482 16.123 2.083) 18.336 1.678 ( -4.311 8.537 4.696) 10.654 2.276 ( 10.187 -6.315 -1.009) 12.028 3.240 ( -14.143 4.687 -1.084) 14.939 3.944 ( 7.379 -9.141 -1.045) 11.794 4.109 ( 5.926 -10.456 -4.099) 12.698 4.528 ( -6.999 12.289 0.733) 14.161 4.861 ( 0.854 -0.103 1.800) 1.995 5.099 ( 1.810 -1.237 0.486) 2.245 5.177 ( 4.245 -2.206 1.604) 5.045 5.607 ( -2.191 -9.233 -6.448) 11.473 5.769 ( -1.112 -0.530 5.045) 5.193 6.422 ( 0.542 2.994 6.882) 7.525 6.462 ( 2.552 0.148 -1.482) 2.955 6.962 ( 0.856 -3.602 -5.225) 6.404 7.129 ( 4.195 4.151 1.971) 6.223 7.788 ( -1.933 0.410 0.246) 1.991 9.226 ( -3.151 2.073 -1.361) 4.010 12.503 ( 0.407 -8.654 1.526) 8.797 12.681 ( 3.676 10.759 -2.645) 11.673 13.481 ( -10.964 6.354 1.384) 12.747 13.890 ( 2.405 -2.760 -2.989) 4.726 14.187 ( 2.893 -1.111 0.393) 3.124 14.698 ( -1.829 -0.194 0.194) 1.850 14.991 ( 2.052 -0.081 6.014) 6.355 16.018 ( -1.534 0.829 -3.726) 4.114 16.355 ( -2.293 -1.493 -1.882) 3.321 16.460 ( -0.106 0.734 1.131) 1.352 16.756 ( 0.502 2.264 -4.594) 5.146 16.906 ( -0.238 -0.295 2.479) 2.508 ======================= Grid point 57 (48/226) ======================= q-point: ( 0.18 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -8.236 16.482 4.752) 19.028 1.755 ( -4.551 14.875 3.668) 15.983 2.351 ( 6.547 -6.682 -0.485) 9.368 3.064 ( -11.281 8.596 -1.781) 14.294 3.966 ( 7.274 -16.251 2.337) 17.957 4.125 ( 11.925 -6.032 -7.616) 15.382 4.504 ( -6.736 3.997 2.585) 8.248 4.860 ( -0.342 -0.454 -1.583) 1.682 5.107 ( -3.654 3.943 -4.557) 7.048 5.194 ( -0.738 -5.336 1.232) 5.526 5.456 ( 1.479 -9.596 -0.836) 9.745 5.783 ( -0.484 -0.314 5.729) 5.758 6.437 ( -4.999 1.342 6.020) 7.939 6.577 ( 8.871 1.270 1.506) 9.088 6.931 ( 2.775 -3.014 -4.893) 6.381 7.255 ( 4.586 5.047 1.669) 7.020 7.749 ( -2.397 -0.661 -0.802) 2.613 9.180 ( -4.219 3.066 -2.170) 5.649 12.448 ( 1.891 -7.621 -0.642) 7.878 12.819 ( 1.731 9.013 -0.562) 9.195 13.352 ( -12.585 8.596 -0.473) 15.248 13.925 ( 5.082 -0.725 -0.560) 5.164 14.203 ( 1.566 -2.517 -1.222) 3.206 14.683 ( -1.230 0.718 1.714) 2.228 15.052 ( 1.549 -0.891 6.666) 6.901 15.977 ( -2.279 2.553 -4.537) 5.683 16.291 ( -2.113 -1.868 -2.450) 3.736 16.460 ( -1.194 0.654 1.196) 1.812 16.768 ( 0.910 3.299 -5.282) 6.294 16.915 ( 0.371 -0.967 2.558) 2.760 ======================= Grid point 58 (49/226) ======================= q-point: ( 0.27 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -7.821 12.236 3.800) 15.011 1.791 ( -10.751 14.646 3.526) 18.507 2.361 ( 3.945 -7.880 0.227) 8.816 3.082 ( 0.256 15.661 -1.139) 15.704 3.919 ( 5.264 -14.203 -0.402) 15.152 4.246 ( 7.559 -0.420 -6.912) 10.251 4.450 ( 3.613 -9.058 4.743) 10.844 4.803 ( -5.704 2.464 -9.037) 10.967 4.986 ( -2.216 -11.463 0.749) 11.699 5.106 ( -6.899 3.024 -1.278) 7.640 5.482 ( 4.317 -2.963 5.329) 7.471 5.810 ( 0.240 -0.138 4.078) 4.088 6.377 ( -6.683 0.992 4.002) 7.853 6.733 ( 7.997 -1.372 1.907) 8.335 6.949 ( 4.221 -0.392 -2.038) 4.704 7.351 ( -0.755 2.802 2.123) 3.596 7.725 ( 2.649 0.752 -3.048) 4.108 9.120 ( -5.159 3.036 -2.439) 6.464 12.418 ( 3.734 -6.110 -2.700) 7.653 12.834 ( -7.738 2.139 1.241) 8.124 13.301 ( -4.611 13.550 -0.991) 14.347 14.020 ( 5.594 1.466 0.742) 5.830 14.190 ( 1.955 -3.972 -1.175) 4.580 14.671 ( -3.041 1.690 0.941) 3.605 15.107 ( 1.697 -0.862 6.937) 7.193 15.950 ( -1.407 3.477 -4.235) 5.657 16.229 ( -1.573 -1.917 -2.321) 3.397 16.455 ( -0.946 0.606 1.236) 1.671 16.774 ( -0.619 3.334 -4.696) 5.792 16.930 ( 1.489 -1.584 1.507) 2.646 ======================= Grid point 59 (50/226) ======================= q-point: ( 0.36 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -8.868 7.895 1.014) 11.917 1.780 ( -6.760 10.970 4.105) 13.524 2.350 ( 3.481 -7.731 0.521) 8.494 3.273 ( 3.210 14.722 -0.309) 15.071 3.896 ( 4.998 -7.084 -1.507) 8.800 4.218 ( -4.207 3.731 -6.448) 8.555 4.558 ( 16.188 -17.851 7.353) 25.194 4.638 ( -7.427 1.390 -9.246) 11.940 4.875 ( -2.970 -6.757 1.678) 7.569 5.020 ( -5.819 2.177 -0.254) 6.218 5.558 ( 3.751 -1.194 4.139) 5.712 5.822 ( -0.464 -0.704 1.678) 1.878 6.309 ( -4.921 1.779 2.688) 5.883 6.815 ( 4.998 -3.951 -0.069) 6.371 7.032 ( 4.105 2.537 0.969) 4.922 7.293 ( -6.660 -0.664 0.817) 6.743 7.819 ( 6.365 2.867 -2.045) 7.274 9.049 ( -4.509 2.291 -2.193) 5.513 12.430 ( 5.877 -4.282 -3.617) 8.122 12.675 ( -11.656 0.112 1.439) 11.745 13.400 ( 0.459 11.682 0.390) 11.697 14.112 ( 1.546 3.583 -0.471) 3.930 14.196 ( 4.798 -5.455 1.038) 7.339 14.628 ( -3.932 1.903 -0.480) 4.395 15.166 ( 1.351 -0.408 6.327) 6.483 15.948 ( 0.216 3.030 -3.875) 4.924 16.180 ( -0.971 -1.637 -1.619) 2.499 16.455 ( -0.446 0.459 1.021) 1.205 16.761 ( -1.311 2.600 -3.347) 4.437 16.945 ( 1.211 -1.593 0.613) 2.093 ======================= Grid point 60 (51/226) ======================= q-point: ( 0.45 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 0.483 3.318 0.703) 3.426 1.820 ( -1.466 7.484 2.394) 7.993 2.329 ( 1.500 -6.112 0.241) 6.298 3.399 ( 0.250 5.955 0.363) 5.971 3.894 ( 0.055 -2.210 -1.202) 2.516 4.204 ( -0.456 8.016 -5.218) 9.575 4.461 ( -8.223 1.259 -5.513) 9.980 4.634 ( -0.707 -12.516 10.299) 16.224 4.833 ( 8.107 -6.680 -2.428) 10.781 4.978 ( 0.076 1.022 0.790) 1.294 5.612 ( 1.678 -0.805 0.754) 2.008 5.810 ( 0.088 -0.564 -0.253) 0.625 6.294 ( -0.467 1.797 1.775) 2.568 6.830 ( 0.943 -2.825 -1.177) 3.202 7.103 ( -0.123 2.069 1.378) 2.489 7.206 ( -1.617 -0.151 0.212) 1.638 7.892 ( -0.411 1.525 0.015) 1.579 9.014 ( -0.100 1.394 -1.441) 2.007 12.432 ( -4.943 -0.367 -0.399) 4.973 12.576 ( 4.033 -1.293 -0.847) 4.319 13.500 ( 0.978 5.488 0.971) 5.658 14.133 ( -0.605 1.464 -0.509) 1.664 14.219 ( -0.339 -1.649 0.396) 1.729 14.606 ( 1.144 0.554 -0.797) 1.500 15.201 ( -0.753 -0.252 4.641) 4.708 15.964 ( 1.614 1.498 -3.713) 4.317 16.150 ( -0.406 -1.032 -0.321) 1.155 16.460 ( 0.116 0.298 0.454) 0.556 16.751 ( -0.569 1.727 -1.542) 2.384 16.944 ( -0.179 -1.075 0.413) 1.166 ======================= Grid point 61 (52/226) ======================= q-point: (-0.45 -0.55 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 9.614 -1.120 0.677) 9.703 1.905 ( 5.383 2.820 0.509) 6.098 2.284 ( -1.765 -2.935 -0.402) 3.448 3.411 ( -2.013 -0.049 0.330) 2.040 3.848 ( -3.835 -1.961 0.794) 4.379 4.189 ( -6.944 2.795 0.439) 7.499 4.331 ( -10.053 9.777 -6.189) 15.328 4.583 ( 1.595 -1.655 5.200) 5.685 4.888 ( 4.884 -4.504 0.280) 6.649 5.068 ( 10.226 -4.949 2.612) 11.657 5.596 ( -1.525 -0.680 -3.200) 3.609 5.825 ( 1.966 0.664 -1.868) 2.792 6.340 ( 3.651 0.557 0.468) 3.723 6.780 ( -3.642 -0.062 -1.916) 4.116 7.060 ( -5.935 -0.211 1.271) 6.073 7.273 ( 6.816 1.863 0.124) 7.067 7.827 ( -8.221 -0.372 1.810) 8.426 9.057 ( 4.450 0.347 -0.340) 4.476 12.333 ( -7.069 2.338 2.229) 7.772 12.704 ( 11.802 -1.062 -1.892) 12.000 13.536 ( 0.814 -2.156 1.052) 2.533 14.128 ( -1.375 0.935 0.374) 1.704 14.149 ( -6.431 1.056 -1.681) 6.730 14.659 ( 5.359 -0.912 -1.209) 5.569 15.187 ( -3.072 -0.325 2.532) 3.994 15.983 ( 2.504 -0.602 -3.188) 4.098 16.146 ( 0.229 -0.057 1.214) 1.236 16.469 ( 0.667 0.056 -0.398) 0.779 16.760 ( 0.724 0.384 0.768) 1.123 16.925 ( -1.684 0.192 0.245) 1.712 ======================= Grid point 63 (53/226) ======================= q-point: (-0.36 -0.55 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 9.221 -4.555 -0.650) 10.305 2.048 ( 13.013 -7.457 -0.701) 15.015 2.222 ( -5.363 4.528 -0.452) 7.033 3.336 ( -2.440 -8.677 0.205) 9.016 3.735 ( -7.761 2.701 -1.555) 8.364 4.067 ( -16.746 9.861 3.442) 19.736 4.325 ( 3.509 6.210 0.359) 7.141 4.703 ( 6.568 6.237 2.457) 9.385 4.910 ( 1.684 -2.832 0.615) 3.352 5.194 ( 9.916 -8.638 4.429) 13.876 5.525 ( -3.462 -0.252 -5.944) 6.883 5.846 ( 1.562 0.821 -4.228) 4.581 6.418 ( 5.444 0.245 -1.254) 5.592 6.708 ( -5.060 2.167 -1.815) 5.796 6.942 ( -8.266 -1.024 1.666) 8.494 7.404 ( 6.520 -0.037 -1.532) 6.697 7.686 ( -8.636 0.278 3.667) 9.387 9.138 ( 5.143 -0.797 0.658) 5.246 12.288 ( -3.960 4.215 2.606) 6.343 12.877 ( 10.666 -1.076 -1.493) 10.824 13.510 ( 2.244 -8.649 1.361) 9.038 14.022 ( -8.848 2.684 -2.561) 9.594 14.131 ( -0.372 0.982 1.182) 1.581 14.719 ( 3.964 -1.143 -2.590) 4.871 15.134 ( -3.929 -0.100 0.725) 3.997 15.998 ( 3.111 -2.483 -2.067) 4.485 16.171 ( 0.978 1.037 2.445) 2.830 16.478 ( 1.132 -0.227 -1.110) 1.602 16.780 ( 0.773 -2.156 3.364) 4.070 16.903 ( -1.937 2.371 -0.892) 3.189 ======================= Grid point 64 (54/226) ======================= q-point: (-0.27 -0.55 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 7.911 -8.901 -2.959) 12.271 2.054 ( 0.311 -10.821 -0.938) 10.866 2.235 ( -1.750 3.565 -0.118) 3.974 3.237 ( 5.066 -10.978 -0.161) 12.091 3.686 ( -7.488 14.384 -2.130) 16.355 3.918 ( -13.318 7.916 4.553) 16.149 4.500 ( 8.912 6.396 -0.040) 10.970 4.880 ( 3.089 -7.127 7.960) 11.121 4.941 ( 5.571 12.607 -1.006) 13.820 5.264 ( 6.214 -11.432 6.008) 14.332 5.403 ( -7.643 1.360 -7.355) 10.694 5.843 ( 1.253 0.296 -5.830) 5.971 6.484 ( 1.908 1.222 -2.152) 3.125 6.623 ( -5.166 0.311 -3.595) 6.302 6.837 ( -5.165 0.504 4.587) 6.927 7.377 ( -3.856 -5.432 -1.965) 6.946 7.685 ( 2.137 4.403 2.128) 5.337 9.204 ( 3.659 -1.591 1.268) 4.187 12.306 ( -1.399 5.822 1.633) 6.206 12.958 ( 2.437 -5.296 -0.740) 5.877 13.512 ( 8.679 -9.247 1.668) 12.791 13.893 ( -8.639 3.603 -2.227) 9.621 14.150 ( 0.147 1.390 1.474) 2.032 14.730 ( 0.908 -0.903 -3.591) 3.812 15.076 ( -3.578 0.621 -0.446) 3.658 16.015 ( 3.403 -3.357 -0.766) 4.841 16.223 ( 1.771 1.766 3.156) 4.026 16.487 ( 1.218 -0.472 -1.408) 1.921 16.771 ( -1.315 -3.336 4.573) 5.811 16.906 ( 0.075 2.893 -2.019) 3.529 ======================= Grid point 65 (55/226) ======================= q-point: (-0.18 -0.55 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 1.204 -6.590 -3.113) 7.387 1.916 ( 1.095 -17.876 -1.165) 17.947 2.161 ( -9.002 3.920 0.072) 9.819 3.318 ( 11.006 -4.293 -0.573) 11.827 3.715 ( -4.039 15.186 -1.129) 15.754 3.869 ( -4.838 7.738 4.398) 10.130 4.690 ( 9.956 0.465 -2.264) 10.221 4.867 ( 0.427 -2.065 1.248) 2.450 5.138 ( -7.472 1.412 -5.681) 9.492 5.198 ( 4.615 -6.054 9.169) 11.917 5.332 ( -0.192 5.306 4.494) 6.956 5.833 ( 1.443 -0.062 -5.558) 5.743 6.439 ( -6.578 -0.093 0.965) 6.649 6.554 ( 0.549 -0.322 -6.969) 6.998 6.841 ( -0.157 2.127 5.192) 5.613 7.245 ( -3.909 -5.476 -1.830) 6.973 7.768 ( 2.179 3.197 -0.560) 3.909 9.243 ( 2.049 -1.440 1.397) 2.867 12.361 ( 0.149 7.086 -0.269) 7.092 12.866 ( -3.207 -10.254 0.948) 10.786 13.612 ( 9.528 -6.866 0.127) 11.745 13.803 ( -5.237 4.846 0.073) 7.136 14.167 ( -0.512 1.139 0.174) 1.261 14.711 ( 0.261 -0.371 -2.116) 2.164 15.020 ( -3.917 1.122 -1.343) 4.290 16.036 ( 2.991 -3.014 -0.110) 4.248 16.293 ( 2.341 1.939 3.269) 4.464 16.488 ( 0.174 -0.676 -1.197) 1.386 16.745 ( -1.134 -2.036 3.714) 4.384 16.922 ( 0.633 1.288 -2.308) 2.718 ======================= Grid point 66 (56/226) ======================= q-point: (-0.09 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -5.327 -10.404 -0.276) 11.692 1.804 ( -4.876 -2.659 -0.597) 5.586 2.106 ( 1.111 0.015 -0.887) 1.422 3.401 ( 0.851 1.155 -0.638) 1.570 3.860 ( 8.497 3.194 0.915) 9.123 3.930 ( -0.340 12.058 0.788) 12.088 4.726 ( -1.662 -9.853 0.293) 9.996 4.854 ( -3.906 -1.287 -3.946) 5.699 4.984 ( -0.487 10.318 -5.458) 11.682 5.202 ( 0.986 -13.254 7.594) 15.307 5.518 ( 3.946 9.376 9.334) 13.806 5.824 ( 1.368 -0.825 -4.928) 5.181 6.357 ( -4.031 0.167 3.601) 5.408 6.515 ( -0.106 -0.738 -7.499) 7.536 6.910 ( 2.195 2.930 4.059) 5.467 7.132 ( -2.493 -5.067 -2.637) 6.233 7.804 ( 0.230 1.805 -1.246) 2.206 9.261 ( 0.419 -0.467 0.888) 1.087 12.438 ( 1.355 8.340 -2.085) 8.703 12.716 ( -3.210 -11.171 2.196) 11.829 13.621 ( -2.478 -0.558 -0.545) 2.597 13.851 ( 5.058 0.543 1.333) 5.259 14.151 ( -1.404 0.322 -1.596) 2.150 14.720 ( 1.176 0.130 0.669) 1.359 14.958 ( -3.692 1.001 -0.940) 3.939 16.050 ( 1.790 -1.955 -0.633) 2.725 16.367 ( 2.468 1.679 2.637) 3.982 16.462 ( -1.657 -0.951 -0.789) 2.067 16.746 ( 0.391 -0.217 1.851) 1.905 16.919 ( -0.140 0.005 -2.084) 2.089 ======================= Grid point 135 (57/226) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( 0.000 -0.000 16.413) 16.413 0.283 ( 0.000 -0.000 16.413) 16.413 0.555 ( 0.000 -0.000 31.927) 31.927 2.901 ( -0.000 0.000 -1.473) 1.473 4.634 ( -0.000 0.000 -11.011) 11.011 4.634 ( -0.000 0.000 -11.011) 11.011 5.232 ( 0.000 -0.000 8.907) 8.907 5.232 ( 0.000 -0.000 8.907) 8.907 5.272 ( -0.000 0.000 -5.634) 5.634 5.508 ( 0.000 -0.000 1.598) 1.598 5.508 ( 0.000 -0.000 1.598) 1.598 6.438 ( 0.000 0.000 0.102) 0.102 6.438 ( -0.000 0.000 0.102) 0.102 6.492 ( 0.000 -0.000 2.401) 2.401 7.129 ( -0.000 0.000 -2.513) 2.513 7.446 ( 0.000 -0.000 1.939) 1.939 7.530 ( -0.000 0.000 -0.694) 0.694 7.530 ( -0.000 0.000 -0.694) 0.694 12.549 ( 0.000 0.000 -0.601) 0.601 12.549 ( -0.000 0.000 -0.601) 0.601 12.852 ( -0.000 0.000 -0.339) 0.339 12.852 ( -0.000 0.000 -0.339) 0.339 14.546 ( 0.000 -0.000 2.184) 2.184 14.546 ( 0.000 -0.000 2.184) 2.184 14.777 ( -0.000 0.000 -0.856) 0.856 16.061 ( 0.000 -0.000 0.886) 0.886 16.330 ( -0.000 0.000 -0.616) 0.616 16.330 ( -0.000 0.000 -0.616) 0.616 16.454 ( -0.000 0.000 -0.037) 0.037 16.834 ( 0.000 -0.000 0.595) 0.595 ======================= Grid point 136 (58/226) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 1.365 19.150 10.740) 21.998 0.699 ( 11.502 2.180 20.167) 23.319 1.068 ( 35.075 15.774 12.584) 40.465 2.862 ( -2.510 -1.289 -1.866) 3.383 4.434 ( -7.714 -4.287 -11.294) 14.333 4.614 ( 0.881 -2.433 -9.514) 9.860 5.060 ( -8.116 -10.101 -0.712) 12.978 5.170 ( -10.219 -1.669 4.381) 11.243 5.304 ( -4.231 -3.299 5.405) 7.616 5.468 ( -2.719 4.000 4.285) 6.461 5.594 ( 4.896 1.677 5.749) 7.735 5.759 ( -13.942 -4.963 22.739) 27.131 6.399 ( -1.211 -0.289 -1.466) 1.924 6.469 ( 0.649 -1.550 2.617) 3.110 7.086 ( 0.570 0.323 -1.666) 1.790 7.365 ( -2.719 -2.095 -2.369) 4.171 7.529 ( 2.043 -0.383 -1.694) 2.681 8.590 ( 27.451 15.230 -21.582) 38.095 12.521 ( 1.158 -4.314 -1.759) 4.800 12.641 ( 4.928 6.659 1.372) 8.397 12.848 ( -2.025 2.233 -0.267) 3.027 13.513 ( 30.469 15.439 -29.029) 44.826 14.475 ( -4.304 -2.869 1.904) 5.512 14.596 ( 1.420 1.362 3.477) 3.995 14.834 ( 3.698 0.960 1.726) 4.193 16.116 ( -1.278 5.355 -9.985) 11.402 16.334 ( 0.033 1.023 -0.596) 1.185 16.412 ( 5.922 0.092 -2.178) 6.311 16.471 ( 4.149 0.677 -1.596) 4.496 16.851 ( 1.088 0.277 1.451) 1.835 ======================= Grid point 137 (59/226) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 6.781 14.819 8.555) 18.406 1.017 ( 11.600 5.207 14.938) 19.617 1.854 ( 34.325 17.099 4.669) 38.632 2.783 ( -3.823 -1.423 -1.978) 4.534 4.209 ( -6.325 -5.951 -8.236) 11.969 4.517 ( -2.304 -5.529 -6.330) 8.715 4.860 ( -8.481 -6.875 -1.268) 10.990 4.971 ( -7.579 -6.305 -0.670) 9.882 5.224 ( -6.215 -0.632 3.391) 7.108 5.486 ( -4.838 6.125 4.286) 8.905 5.692 ( 0.826 -2.393 10.537) 10.837 5.772 ( 0.091 5.277 6.821) 8.625 6.384 ( -1.267 2.379 -0.301) 2.712 6.462 ( 0.984 -5.924 3.237) 6.822 7.085 ( -0.486 0.810 -2.242) 2.433 7.270 ( -3.786 -3.565 -2.318) 5.693 7.572 ( 4.665 0.158 -2.065) 5.103 8.875 ( 11.727 6.263 -9.066) 16.092 12.490 ( 2.613 -6.022 -2.541) 7.039 12.805 ( -1.786 4.212 1.415) 4.789 12.857 ( 6.276 7.879 0.926) 10.115 13.775 ( 11.721 4.478 -17.077) 21.191 14.390 ( -4.132 -2.671 1.145) 5.052 14.647 ( 0.618 1.875 3.094) 3.670 14.916 ( 3.290 -0.756 6.767) 7.563 16.060 ( -2.898 4.439 -10.395) 11.669 16.344 ( 0.073 1.675 -0.854) 1.881 16.436 ( 0.246 0.018 0.056) 0.253 16.565 ( 7.360 -0.566 -4.974) 8.901 16.881 ( 0.914 0.314 1.932) 2.160 ======================= Grid point 138 (60/226) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 10.614 12.452 6.022) 17.434 1.324 ( 11.151 5.136 9.579) 15.572 2.435 ( 12.625 5.799 1.813) 14.011 2.761 ( 7.849 7.080 -2.970) 10.980 4.053 ( -0.481 -7.113 -4.594) 8.481 4.378 ( -4.899 -4.993 -3.302) 7.735 4.590 ( -12.784 -8.446 -1.608) 15.406 4.869 ( -0.805 -2.119 -1.872) 2.940 5.135 ( -4.181 -1.907 0.184) 4.599 5.469 ( -7.953 6.332 5.122) 11.384 5.729 ( -0.974 -0.666 8.919) 8.997 5.831 ( -1.719 3.607 0.277) 4.005 6.392 ( -2.423 1.956 5.866) 6.642 6.440 ( 3.227 -6.740 -0.785) 7.513 7.055 ( -2.296 0.864 -2.667) 3.623 7.164 ( -3.146 -4.001 -1.621) 5.342 7.653 ( 5.997 0.332 -1.541) 6.201 9.043 ( 7.988 4.572 -4.591) 10.286 12.468 ( 4.464 -7.322 -2.927) 9.061 12.756 ( -6.463 3.733 0.132) 7.465 13.114 ( 10.646 9.736 2.797) 14.695 13.860 ( 5.659 1.440 -9.792) 11.401 14.303 ( -4.348 -2.714 0.949) 5.213 14.686 ( 0.095 2.203 2.161) 3.087 14.994 ( 1.801 -1.932 9.418) 9.782 16.005 ( -1.317 3.598 -9.153) 9.923 16.357 ( 0.061 2.165 -1.244) 2.498 16.442 ( 0.363 0.115 0.514) 0.639 16.632 ( 5.587 -1.084 -5.541) 7.943 16.905 ( 0.273 0.325 2.008) 2.052 ======================= Grid point 139 (61/226) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 11.281 10.716 3.011) 15.848 1.568 ( 8.838 2.894 6.100) 11.122 2.386 ( -9.126 -5.346 0.306) 10.581 3.115 ( 15.961 11.928 -1.933) 20.020 3.979 ( 0.141 -7.581 -2.747) 8.065 4.229 ( -6.165 -5.922 -4.310) 9.573 4.389 ( -1.307 0.266 0.075) 1.336 4.852 ( 0.665 -0.923 0.165) 1.149 5.062 ( -0.466 -4.124 -2.650) 4.924 5.398 ( -12.166 5.444 6.889) 15.003 5.725 ( -5.406 1.676 -0.130) 5.661 5.804 ( -1.139 -0.477 2.128) 2.460 6.390 ( 0.671 -4.398 0.050) 4.449 6.456 ( 1.518 0.242 5.308) 5.526 7.007 ( -3.275 2.358 -2.798) 4.911 7.084 ( -0.977 -4.355 -0.103) 4.464 7.742 ( 5.074 0.130 -0.622) 5.114 9.166 ( 5.233 3.195 -2.838) 6.756 12.467 ( 6.383 -7.940 -2.919) 10.598 12.683 ( -7.675 5.326 0.390) 9.349 13.385 ( 10.264 7.621 2.497) 13.025 13.887 ( 1.532 0.921 -4.987) 5.298 14.213 ( -3.747 -3.010 0.750) 4.864 14.716 ( -0.119 2.059 1.347) 2.463 15.030 ( -1.011 -2.854 7.958) 8.515 15.988 ( 0.856 2.758 -5.723) 6.410 16.371 ( -0.000 2.530 -1.809) 3.110 16.452 ( 0.527 -0.823 0.754) 1.234 16.672 ( 4.030 0.160 -4.986) 6.412 16.919 ( 0.015 -0.152 1.871) 1.877 ======================= Grid point 140 (62/226) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 3.712 3.371 0.545) 5.044 1.753 ( 6.600 2.346 2.699) 7.507 2.167 ( -8.841 -4.869 1.002) 10.143 3.381 ( 6.462 4.101 0.552) 7.673 3.900 ( -1.060 1.649 -1.209) 2.303 4.070 ( -3.024 -5.066 -1.764) 6.158 4.511 ( 10.216 3.396 -3.700) 11.384 4.857 ( -0.572 -1.843 2.431) 3.104 5.003 ( 2.544 -8.007 -4.690) 9.622 5.254 ( -14.806 5.000 6.234) 16.825 5.619 ( -5.420 3.029 -6.963) 9.329 5.827 ( 1.288 -1.243 4.888) 5.205 6.337 ( -1.551 -2.119 -4.499) 5.209 6.530 ( 2.333 -1.149 8.959) 9.329 6.967 ( -3.441 4.937 -3.208) 6.820 7.062 ( 2.269 -4.077 2.329) 5.215 7.803 ( 2.592 -0.408 0.288) 2.639 9.235 ( 2.272 1.397 -2.188) 3.450 12.494 ( 7.842 -7.580 -2.656) 11.225 12.619 ( -7.422 6.833 0.991) 10.137 13.582 ( 5.187 2.127 0.723) 5.653 13.880 ( -0.978 2.384 -0.470) 2.619 14.150 ( -0.799 -2.393 0.369) 2.550 14.734 ( -0.449 1.293 0.710) 1.542 14.994 ( -3.684 -3.359 3.315) 5.987 16.019 ( 2.484 1.981 -1.068) 3.352 16.382 ( -0.095 2.616 -2.561) 3.662 16.446 ( -0.029 -2.089 0.368) 2.121 16.718 ( 2.912 2.257 -2.602) 4.511 16.923 ( 0.020 -1.168 1.641) 2.015 ======================= Grid point 141 (63/226) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -4.177 -4.423 -0.235) 6.088 1.662 ( -12.669 -7.610 -1.452) 14.850 2.205 ( 8.518 5.806 2.541) 10.618 3.380 ( -5.096 -3.543 0.365) 6.217 3.986 ( 1.619 2.391 3.003) 4.166 4.090 ( 8.571 8.892 0.247) 12.353 4.547 ( -6.878 -7.455 -1.833) 10.307 4.818 ( 2.314 -1.638 -0.460) 2.872 5.003 ( 9.534 -5.157 -6.428) 12.602 5.163 ( -5.123 5.943 2.226) 8.156 5.548 ( -3.666 4.645 -5.661) 8.189 5.861 ( 1.066 -0.908 2.627) 2.977 6.261 ( -2.176 -1.414 -4.665) 5.338 6.592 ( 0.397 -1.749 8.769) 8.951 6.968 ( -0.606 6.115 -1.985) 6.458 7.096 ( 3.488 -2.650 2.941) 5.276 7.818 ( -0.406 -1.104 1.058) 1.582 9.241 ( -0.588 -0.475 -1.904) 2.048 12.538 ( 5.616 -5.473 -1.943) 8.079 12.594 ( -3.286 6.650 1.258) 7.523 13.539 ( -7.121 -4.921 -1.509) 8.786 13.951 ( 4.079 4.193 2.892) 6.526 14.151 ( 1.885 -0.303 0.910) 2.115 14.733 ( -0.907 0.169 0.542) 1.070 14.896 ( -4.817 -3.090 -1.655) 5.957 16.085 ( 3.121 1.259 2.310) 4.082 16.386 ( -0.155 2.227 -3.234) 3.930 16.421 ( -0.665 -1.893 -0.083) 2.008 16.770 ( 1.207 2.716 -0.123) 2.974 16.917 ( 0.088 -2.102 1.496) 2.582 ======================= Grid point 142 (64/226) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -15.934 -12.311 0.554) 20.144 1.413 ( -10.291 -5.823 -2.456) 12.076 2.408 ( 6.770 5.313 1.302) 8.704 3.176 ( -14.783 -9.316 1.213) 17.516 4.061 ( 1.793 7.354 1.306) 7.681 4.289 ( -1.228 -5.443 -0.950) 5.660 4.426 ( 10.831 7.929 3.353) 13.836 4.874 ( 3.948 0.195 0.172) 3.957 5.075 ( 5.887 -1.063 -5.787) 8.323 5.207 ( 5.226 1.355 -1.736) 5.671 5.512 ( -3.045 4.617 -3.682) 6.645 5.854 ( -2.340 -0.533 -0.752) 2.515 6.210 ( 0.848 -0.884 -3.599) 3.802 6.607 ( -2.351 -1.535 7.951) 8.432 7.034 ( 2.146 5.854 -0.496) 6.255 7.147 ( 3.557 -1.904 2.181) 4.586 7.784 ( -2.970 -1.733 1.585) 3.786 9.191 ( -2.745 -1.890 -1.634) 3.712 12.542 ( -0.223 -0.060 0.185) 0.296 12.654 ( 3.714 2.324 -0.281) 4.390 13.313 ( -11.507 -7.039 -1.693) 13.595 14.067 ( 3.479 2.162 3.590) 5.447 14.207 ( 3.204 1.502 1.578) 3.875 14.713 ( -2.145 -1.288 1.812) 3.090 14.781 ( -3.237 -1.458 -5.668) 6.688 16.163 ( 3.182 0.667 3.538) 4.805 16.383 ( -0.560 2.497 -3.790) 4.573 16.393 ( -0.487 -1.531 0.043) 1.607 16.792 ( -1.030 0.872 0.396) 1.406 16.907 ( -0.169 -1.971 1.854) 2.711 ======================= Grid point 143 (65/226) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -15.596 -12.929 2.176) 20.375 1.132 ( -15.229 -7.174 -1.432) 16.895 2.417 ( -15.741 -7.536 0.836) 17.472 2.816 ( -9.299 -6.001 -0.012) 11.067 4.207 ( 6.373 7.725 3.523) 10.616 4.310 ( 9.146 0.293 -5.222) 10.536 4.724 ( 9.410 8.371 4.985) 13.545 4.956 ( 6.310 0.672 -0.599) 6.374 5.119 ( 1.352 3.128 -0.677) 3.474 5.292 ( 7.353 -2.975 -4.055) 8.908 5.491 ( -2.477 3.466 -1.330) 4.463 5.766 ( -5.970 -1.205 -1.950) 6.396 6.233 ( 3.962 0.913 -3.546) 5.395 6.582 ( -3.744 -1.978 6.948) 8.136 7.111 ( 1.191 2.881 0.251) 3.128 7.210 ( 4.756 0.367 0.747) 4.829 7.714 ( -4.265 -2.161 1.700) 5.074 9.107 ( -3.720 -2.508 -1.586) 4.758 12.543 ( 0.285 -0.291 0.455) 0.611 12.730 ( 3.025 2.170 -0.622) 3.774 13.045 ( -11.823 -6.697 -1.263) 13.646 14.136 ( 1.267 0.729 1.958) 2.444 14.290 ( 3.759 1.568 1.936) 4.509 14.639 ( -4.040 -1.971 -1.438) 4.720 14.740 ( 0.568 0.421 -1.627) 1.773 16.236 ( 2.880 0.379 2.725) 3.983 16.362 ( -2.042 2.370 -2.860) 4.239 16.392 ( 1.247 -0.345 -0.704) 1.473 16.757 ( -2.266 -1.824 -0.964) 3.065 16.893 ( -1.357 -1.324 2.437) 3.088 ======================= Grid point 144 (66/226) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -12.516 -12.368 7.367) 19.076 0.790 ( -19.196 -5.544 1.920) 20.072 1.778 ( -37.231 -21.919 0.888) 43.213 2.816 ( 3.521 2.149 -0.595) 4.168 4.426 ( 9.370 6.818 -3.157) 12.010 4.472 ( 11.532 3.008 -1.434) 12.003 4.909 ( 4.808 3.478 3.721) 7.004 5.064 ( 6.025 1.260 -4.482) 7.615 5.188 ( -0.047 5.334 6.460) 8.378 5.335 ( 4.007 -2.820 -2.703) 5.596 5.489 ( -0.876 1.850 2.126) 2.951 5.639 ( -6.659 -1.690 0.302) 6.876 6.300 ( 4.624 2.314 -3.631) 6.318 6.535 ( -3.533 -2.614 5.308) 6.891 7.124 ( -0.653 -0.080 -0.106) 0.666 7.309 ( 4.950 2.214 -0.331) 5.432 7.634 ( -3.867 -2.303 1.260) 4.674 9.009 ( -3.765 -2.635 -3.660) 5.875 12.549 ( 1.210 -1.535 -0.014) 1.955 12.747 ( -4.783 -1.348 -0.538) 4.998 12.842 ( -3.887 -1.043 -0.638) 4.075 14.132 ( -1.115 -0.474 -6.586) 6.697 14.376 ( 3.664 0.755 3.566) 5.168 14.561 ( -2.337 -1.087 -1.915) 3.211 14.765 ( 1.114 0.727 2.771) 3.074 16.289 ( 1.717 1.004 -0.010) 1.989 16.334 ( -2.032 2.798 -3.902) 5.214 16.414 ( 1.608 0.092 0.189) 1.622 16.679 ( -2.595 -3.641 -4.095) 6.062 16.864 ( -2.164 -1.496 2.798) 3.841 ======================= Grid point 147 (67/226) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 16.348 11.772 11.437) 23.165 0.810 ( -6.080 13.395 17.762) 23.063 1.122 ( -3.543 30.686 15.897) 34.741 2.850 ( 0.176 -2.827 -2.134) 3.547 4.373 ( 0.090 -7.778 -11.636) 13.997 4.540 ( -2.178 -1.338 -10.235) 10.549 5.049 ( -3.400 -9.773 -2.945) 10.759 5.231 ( 1.545 -8.657 3.973) 9.649 5.374 ( -2.380 -0.336 5.335) 5.851 5.487 ( 8.721 -6.206 4.993) 11.810 5.549 ( -2.148 1.149 5.967) 6.445 5.880 ( 2.507 -18.467 20.848) 27.963 6.344 ( -0.705 -5.808 -1.302) 5.994 6.535 ( -0.908 5.723 2.761) 6.418 7.080 ( -0.026 1.149 -1.870) 2.195 7.353 ( -0.708 -3.184 -2.699) 4.233 7.566 ( -1.353 3.514 -0.571) 3.809 8.450 ( -0.422 34.536 -20.099) 39.961 12.522 ( -5.939 -0.268 -1.771) 6.203 12.634 ( 4.918 6.570 1.425) 8.330 12.825 ( 3.558 -1.467 -1.242) 4.044 13.383 ( -2.509 34.422 -22.413) 41.152 14.534 ( -4.543 -3.328 2.182) 6.040 14.550 ( 5.136 -1.778 3.022) 6.219 14.851 ( -1.293 5.547 1.977) 6.029 16.086 ( 4.827 1.303 -7.244) 8.802 16.305 ( -0.357 -1.135 -1.248) 1.724 16.406 ( -1.939 4.606 -0.945) 5.086 16.471 ( -0.949 3.437 -0.749) 3.643 16.864 ( -0.251 2.145 1.104) 2.425 ======================= Grid point 148 (68/226) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -3.121 16.792 11.440) 20.557 0.965 ( 12.391 4.970 15.142) 20.187 1.646 ( 19.439 31.427 7.148) 37.638 2.798 ( -1.626 -2.909 -1.954) 3.863 4.189 ( -4.901 -7.867 -9.870) 13.539 4.428 ( -1.105 -6.077 -7.744) 9.905 4.893 ( -4.332 -4.300 -3.255) 6.917 5.050 ( -9.807 -11.793 1.910) 15.457 5.316 ( -4.970 -3.788 2.886) 6.883 5.603 ( 1.271 4.708 2.588) 5.521 5.632 ( 7.241 -6.708 11.286) 14.994 5.869 ( -1.374 -3.321 11.181) 11.744 6.296 ( 2.781 -5.728 -0.928) 6.435 6.560 ( -4.879 5.380 3.792) 8.193 7.094 ( 0.628 2.542 -1.533) 3.034 7.267 ( -2.729 -4.714 -3.388) 6.415 7.553 ( -2.355 4.346 -1.808) 5.263 8.711 ( 10.948 14.490 -11.606) 21.553 12.425 ( -2.614 -2.919 -2.976) 4.921 12.822 ( 7.235 9.376 3.282) 12.289 12.865 ( 1.589 -0.303 0.279) 1.641 13.580 ( 7.886 17.392 -19.431) 27.244 14.441 ( -4.321 -2.877 1.451) 5.390 14.640 ( 4.453 -0.968 4.145) 6.160 14.906 ( 0.868 3.085 4.368) 5.417 16.091 ( -1.139 3.032 -10.321) 10.817 16.313 ( 3.641 -1.847 -1.699) 4.422 16.421 ( 0.186 1.519 0.084) 1.532 16.493 ( 0.490 3.534 -1.369) 3.821 16.892 ( 0.215 2.009 1.467) 2.497 ======================= Grid point 149 (69/226) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 1.232 15.428 9.547) 18.185 1.278 ( 9.894 7.896 9.549) 15.857 2.271 ( 19.810 20.811 2.874) 28.876 2.740 ( -0.528 0.135 -2.254) 2.319 3.991 ( -3.919 -8.003 -6.171) 10.839 4.308 ( -0.555 -8.048 -6.200) 10.174 4.727 ( -11.912 -7.497 0.895) 14.103 4.853 ( -1.640 -2.687 -2.410) 3.965 5.180 ( -5.979 -7.416 0.104) 9.527 5.643 ( -3.176 4.581 3.182) 6.419 5.737 ( 4.569 -5.651 10.991) 13.176 5.882 ( -0.908 0.385 2.335) 2.535 6.316 ( 4.721 -4.181 0.820) 6.360 6.523 ( -7.173 3.523 4.387) 9.116 7.110 ( -2.357 2.885 -0.387) 3.746 7.158 ( -2.187 -4.048 -3.275) 5.647 7.570 ( 2.305 2.228 -2.413) 4.013 8.926 ( 9.322 7.752 -6.309) 13.667 12.350 ( 0.150 -4.853 -3.367) 5.908 12.871 ( -2.359 2.459 0.824) 3.506 13.066 ( 8.868 9.719 3.736) 13.677 13.721 ( 6.848 7.812 -13.002) 16.642 14.354 ( -4.245 -2.966 1.324) 5.345 14.710 ( 1.652 0.888 3.022) 3.556 14.985 ( 2.569 -0.166 7.929) 8.337 16.025 ( -2.678 3.686 -10.065) 11.048 16.343 ( 2.808 -0.694 -2.493) 3.819 16.435 ( 0.370 0.164 0.453) 0.607 16.537 ( 2.579 2.657 -2.590) 4.519 16.918 ( 0.026 1.087 1.539) 1.884 ======================= Grid point 150 (70/226) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 5.692 15.542 5.982) 17.599 1.529 ( 6.211 8.139 5.219) 11.492 2.469 ( -5.304 -2.799 1.786) 6.257 2.946 ( 16.754 13.591 -2.655) 21.736 3.863 ( 0.766 -8.149 -2.727) 8.627 4.185 ( -1.865 -8.700 -5.033) 10.222 4.491 ( -8.976 -2.347 0.478) 9.290 4.841 ( 0.623 1.381 -0.917) 1.771 5.009 ( -3.106 -10.678 -2.523) 11.404 5.635 ( -4.969 4.327 3.454) 7.439 5.796 ( 1.346 -3.778 9.040) 9.890 5.840 ( -5.785 0.238 -2.543) 6.324 6.342 ( 0.833 -1.901 0.050) 2.076 6.484 ( -1.907 0.289 5.659) 5.978 7.048 ( -1.643 -4.480 -0.130) 4.773 7.112 ( -4.419 5.201 -1.633) 7.017 7.638 ( 5.858 -0.039 -1.854) 6.144 9.088 ( 6.796 5.028 -3.865) 9.295 12.307 ( 2.937 -5.677 -3.100) 7.104 12.848 ( -5.361 5.335 0.711) 7.597 13.314 ( 9.125 7.336 2.704) 12.016 13.816 ( 5.045 4.497 -6.853) 9.625 14.259 ( -4.659 -3.667 1.298) 6.069 14.747 ( -0.026 1.806 1.232) 2.187 15.053 ( 0.659 -2.698 9.338) 9.743 15.980 ( -0.563 3.894 -7.885) 8.813 16.362 ( 1.918 -0.335 -2.908) 3.500 16.443 ( 0.077 0.081 0.701) 0.710 16.596 ( 3.529 2.983 -3.092) 5.560 16.928 ( -0.331 -0.266 1.375) 1.439 ======================= Grid point 151 (71/226) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 0.849 16.793 0.706) 16.829 1.689 ( 6.482 4.242 4.206) 8.815 2.286 ( -10.836 -5.975 1.312) 12.443 3.277 ( 11.920 5.700 -0.195) 13.214 3.840 ( 5.929 -5.486 -0.866) 8.124 4.016 ( -4.834 -8.943 -1.682) 10.304 4.452 ( 2.448 6.064 -4.051) 7.692 4.852 ( 1.278 -7.357 -3.100) 8.085 4.881 ( -0.341 -2.864 0.233) 2.894 5.592 ( -12.960 6.001 4.945) 15.114 5.668 ( -5.930 -2.343 -7.641) 9.952 5.827 ( 0.187 -2.449 7.913) 8.285 6.324 ( -0.927 0.303 -2.450) 2.637 6.521 ( 2.244 -2.456 7.222) 7.951 7.003 ( 1.029 -3.875 -0.202) 4.014 7.083 ( -5.040 6.653 0.335) 8.353 7.721 ( 5.818 -1.448 -0.978) 6.074 9.192 ( 3.760 2.948 -2.829) 5.552 12.307 ( 5.481 -5.435 -2.631) 8.155 12.810 ( -6.908 7.477 0.577) 10.196 13.511 ( 7.141 3.484 0.463) 7.959 13.893 ( 2.428 3.611 -1.066) 4.480 14.157 ( -3.556 -4.100 0.887) 5.499 14.759 ( -0.695 1.417 -0.040) 1.579 15.046 ( -3.341 -3.861 6.481) 8.250 15.996 ( 2.056 3.540 -3.364) 5.299 16.366 ( 1.498 -1.014 -3.093) 3.583 16.446 ( -0.614 0.724 0.552) 1.098 16.674 ( 3.940 4.067 -2.345) 6.128 16.919 ( -0.388 -1.813 1.180) 2.198 ======================= Grid point 152 (72/226) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -6.792 6.927 -1.125) 9.766 1.792 ( -8.963 0.799 0.570) 9.017 2.160 ( 2.931 1.780 3.261) 4.732 3.394 ( 0.428 -2.425 0.150) 2.467 3.880 ( 6.071 -11.321 -0.900) 12.877 4.000 ( 8.827 5.423 4.237) 11.193 4.562 ( 3.911 5.444 -6.336) 9.224 4.746 ( 1.020 -8.589 -5.471) 10.234 4.890 ( -0.481 1.352 1.655) 2.190 5.350 ( -13.733 0.408 -4.039) 14.321 5.616 ( -2.937 3.449 -0.097) 4.531 5.852 ( 0.626 -1.933 5.880) 6.221 6.280 ( -3.191 1.152 -3.881) 5.154 6.579 ( 3.225 -4.320 7.846) 9.520 7.001 ( 1.818 -0.257 -1.944) 2.674 7.089 ( -2.231 5.001 2.966) 6.228 7.777 ( 3.569 -2.267 -0.324) 4.241 9.231 ( 0.604 1.151 -2.402) 2.731 12.348 ( 7.101 -4.657 -2.609) 8.883 12.777 ( -6.759 8.518 0.944) 10.915 13.573 ( -1.544 -1.426 -1.876) 2.817 13.955 ( 1.807 1.861 4.130) 4.877 14.113 ( 1.596 -1.287 -0.113) 2.054 14.752 ( -0.997 0.388 -0.455) 1.163 14.956 ( -6.018 -3.560 2.155) 7.317 16.063 ( 3.113 2.733 0.669) 4.196 16.358 ( 1.252 -1.655 -2.691) 3.398 16.442 ( -1.373 1.662 -0.137) 2.160 16.762 ( 2.928 3.916 -1.303) 5.061 16.899 ( 0.075 -2.866 1.145) 3.087 ======================= Grid point 153 (73/226) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -18.574 -5.674 0.720) 19.434 1.569 ( -12.148 4.251 -1.020) 12.911 2.342 ( 8.414 5.226 2.282) 10.164 3.288 ( -7.761 -7.170 1.286) 10.644 3.931 ( 10.909 -6.463 -1.519) 12.771 4.284 ( 14.999 3.810 3.785) 15.932 4.426 ( -13.907 -0.459 -1.826) 14.034 4.796 ( 6.787 4.413 -5.186) 9.614 4.925 ( 4.568 1.157 -2.247) 5.221 5.198 ( -1.920 -1.364 -3.813) 4.482 5.604 ( -3.736 4.512 1.369) 6.016 5.868 ( -0.327 -1.814 3.354) 3.827 6.213 ( -3.274 1.448 -3.194) 4.798 6.622 ( 2.047 -5.198 6.999) 8.955 7.038 ( 3.317 2.031 -2.187) 4.462 7.124 ( -0.630 3.023 2.911) 4.244 7.787 ( 0.595 -2.729 0.011) 2.794 9.210 ( -2.111 -0.044 -2.219) 3.063 12.408 ( 6.937 -3.884 -3.319) 8.615 12.767 ( -4.978 8.236 1.719) 9.776 13.428 ( -10.043 -4.601 -1.315) 11.124 14.043 ( 4.084 0.414 4.610) 6.172 14.161 ( 3.786 0.859 -0.434) 3.907 14.735 ( -0.787 -0.438 0.543) 1.051 14.826 ( -6.643 -2.272 -0.966) 7.087 16.145 ( 2.973 2.126 2.380) 4.362 16.350 ( 1.339 -1.505 -1.989) 2.831 16.429 ( -1.981 1.904 -0.778) 2.855 16.799 ( -0.185 0.128 -1.729) 1.744 16.898 ( 1.129 -0.836 1.681) 2.190 ======================= Grid point 154 (74/226) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -19.816 -4.702 2.929) 20.576 1.361 ( -16.480 1.588 0.652) 16.569 2.489 ( 2.705 1.023 1.338) 3.186 2.998 ( -18.650 -9.462 0.985) 20.936 4.069 ( 12.999 -2.774 -4.734) 14.109 4.245 ( -2.674 2.627 -2.370) 4.435 4.602 ( 13.955 2.951 3.986) 14.810 4.885 ( 2.976 1.994 -1.422) 3.854 5.054 ( 8.189 6.540 -3.012) 10.904 5.186 ( 3.500 -2.612 -1.195) 4.528 5.596 ( -4.137 5.040 2.955) 7.158 5.827 ( -3.812 -2.649 1.192) 4.793 6.191 ( 0.353 2.397 -1.892) 3.074 6.620 ( -0.400 -5.525 5.321) 7.681 7.118 ( 5.671 1.401 -1.609) 6.059 7.148 ( -0.971 2.143 1.422) 2.750 7.747 ( -2.033 -3.062 -0.064) 3.676 9.144 ( -3.998 -0.379 -2.403) 4.680 12.453 ( 5.133 -3.046 -4.101) 7.242 12.788 ( -2.417 6.392 2.039) 7.131 13.192 ( -12.692 -4.410 0.304) 13.440 14.118 ( 2.227 -0.246 0.855) 2.398 14.233 ( 4.744 0.099 0.216) 4.750 14.699 ( -5.987 -1.202 -0.627) 6.138 14.736 ( 0.338 0.226 1.683) 1.732 16.221 ( 2.426 1.844 1.900) 3.591 16.355 ( 1.786 -0.739 -1.335) 2.349 16.406 ( -2.219 1.520 -0.853) 2.822 16.754 ( -1.819 -2.354 -3.043) 4.256 16.915 ( -0.319 0.017 1.625) 1.656 ======================= Grid point 155 (75/226) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -17.829 -1.445 7.707) 19.477 1.089 ( -18.990 -0.565 4.343) 19.489 2.234 ( -32.064 -8.877 0.915) 33.282 2.779 ( 0.498 0.305 -0.583) 0.825 4.227 ( 12.877 -1.145 -8.042) 15.225 4.335 ( 8.465 4.233 -0.178) 9.466 4.824 ( 10.951 -2.191 1.274) 11.240 4.938 ( 4.538 1.435 -4.196) 6.345 5.222 ( 4.178 -3.413 0.828) 5.458 5.252 ( 5.397 9.591 4.329) 11.826 5.599 ( -4.018 4.511 4.694) 7.650 5.727 ( -5.695 -2.780 2.751) 6.909 6.241 ( 3.285 3.674 -2.050) 5.338 6.570 ( -2.073 -5.950 3.676) 7.295 7.144 ( -1.209 0.084 0.362) 1.265 7.222 ( 6.230 1.388 -1.805) 6.633 7.670 ( -3.381 -3.220 -0.614) 4.709 9.049 ( -5.388 -0.054 -3.971) 6.694 12.473 ( 3.401 -2.186 -4.257) 5.871 12.822 ( -1.029 4.125 1.646) 4.559 12.960 ( -12.232 -2.472 1.876) 12.620 14.099 ( -1.275 -1.423 -8.260) 8.478 14.320 ( 5.158 -0.739 2.745) 5.889 14.608 ( -4.370 0.792 -0.138) 4.444 14.773 ( 1.232 0.397 4.949) 5.115 16.274 ( 1.912 0.814 -0.623) 2.170 16.370 ( -0.812 3.133 -4.731) 5.732 16.388 ( 0.636 -1.302 3.014) 3.344 16.668 ( -3.232 -2.259 -5.325) 6.626 16.900 ( -1.953 -0.977 1.444) 2.618 ======================= Grid point 158 (76/226) ======================= q-point: ( 0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -3.439 15.194 7.254) 17.184 1.068 ( -4.495 6.447 19.608) 21.124 1.709 ( -19.221 31.270 6.470) 37.271 2.785 ( 2.191 -3.856 -2.286) 4.989 4.220 ( 2.999 -4.696 -9.013) 10.596 4.496 ( -0.807 -2.951 -9.501) 9.981 4.951 ( 4.847 -4.250 -3.000) 7.110 5.094 ( 8.012 -7.817 4.256) 11.975 5.263 ( 8.077 -7.893 4.398) 12.119 5.416 ( -1.243 -5.942 3.140) 6.834 5.655 ( -5.445 -1.267 4.058) 6.908 5.803 ( 3.141 -6.699 12.813) 14.795 6.320 ( -2.646 -4.569 1.226) 5.421 6.602 ( 2.793 7.438 3.286) 8.598 7.074 ( 0.621 0.524 -2.453) 2.584 7.304 ( 1.920 -1.966 -1.904) 3.343 7.591 ( 0.739 4.992 -1.312) 5.214 8.723 ( -10.948 15.084 -12.018) 22.177 12.620 ( 4.837 6.744 0.879) 8.346 12.676 ( -11.378 3.196 -0.545) 11.831 12.759 ( 0.683 -4.136 -2.390) 4.826 13.644 ( -8.634 18.564 -16.507) 26.299 14.450 ( 5.180 -2.850 1.722) 6.158 14.596 ( -4.246 -2.063 1.244) 4.882 14.962 ( -2.522 4.752 6.623) 8.532 15.971 ( 2.631 -1.527 -8.008) 8.566 16.304 ( -1.408 -1.363 -1.380) 2.397 16.433 ( -0.129 0.119 -0.051) 0.182 16.557 ( -3.036 6.912 -3.578) 8.354 16.898 ( -0.226 2.166 1.278) 2.526 ======================= Grid point 159 (77/226) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 9.113 12.474 8.065) 17.427 1.188 ( -2.116 7.134 17.041) 18.595 1.896 ( -2.009 36.992 4.826) 37.359 2.759 ( 0.835 -4.051 -2.088) 4.633 4.121 ( -2.350 -5.956 -8.817) 10.897 4.370 ( -2.901 -5.708 -7.620) 9.953 4.900 ( -2.800 -2.264 -3.332) 4.906 5.047 ( -3.092 -13.764 1.928) 14.238 5.332 ( -2.171 -7.353 0.332) 7.674 5.409 ( 13.284 -9.938 7.856) 18.356 5.660 ( 0.818 2.625 4.924) 5.640 5.849 ( 3.155 -7.150 8.831) 11.793 6.243 ( -1.823 -3.883 1.228) 4.462 6.707 ( -1.850 8.062 4.003) 9.189 7.084 ( 1.713 0.839 -1.835) 2.647 7.250 ( -3.202 -3.768 -2.787) 5.676 7.643 ( -1.098 5.387 -0.863) 5.565 8.709 ( -0.710 15.419 -10.279) 18.545 12.494 ( -9.230 -0.494 -1.872) 9.431 12.763 ( 5.386 -2.392 -1.116) 5.998 12.830 ( 6.701 10.783 1.789) 12.821 13.645 ( -3.499 19.205 -14.375) 24.243 14.479 ( -2.024 -4.311 0.888) 4.844 14.560 ( 4.124 -0.580 2.468) 4.841 15.000 ( -2.876 4.484 7.338) 9.068 15.997 ( 5.625 -0.122 -8.980) 10.597 16.263 ( -0.531 -1.657 -1.363) 2.210 16.435 ( -0.000 0.394 0.163) 0.426 16.553 ( -2.581 5.819 -2.439) 6.817 16.923 ( -0.254 2.420 1.051) 2.651 ======================= Grid point 160 (78/226) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 11.852 8.656 7.966) 16.699 1.321 ( -0.563 9.520 11.341) 14.818 2.310 ( 7.602 31.370 2.436) 32.370 2.722 ( 0.309 -2.031 -2.161) 2.982 3.956 ( -4.815 -6.270 -6.478) 10.221 4.227 ( -2.387 -7.106 -5.509) 9.303 4.818 ( -7.753 -8.607 0.127) 11.585 4.843 ( -2.011 -3.445 -1.356) 4.213 5.179 ( -5.396 -11.496 -1.544) 12.793 5.581 ( 12.227 -10.393 10.496) 19.175 5.713 ( -0.288 2.372 1.824) 3.006 5.868 ( 1.820 -4.425 2.423) 5.364 6.236 ( 2.933 -1.838 3.141) 4.674 6.727 ( -7.594 7.282 3.935) 11.233 7.116 ( 0.411 -4.592 -2.978) 5.489 7.146 ( -0.697 1.499 -0.900) 1.882 7.632 ( -5.193 5.720 -1.331) 7.839 8.837 ( 6.541 10.086 -6.646) 13.736 12.347 ( -5.858 -2.056 -2.365) 6.644 12.838 ( 6.406 -1.783 -0.741) 6.691 13.062 ( 6.565 11.001 3.862) 13.381 13.700 ( -0.376 14.539 -11.523) 18.555 14.392 ( -3.594 -3.744 0.430) 5.208 14.661 ( 5.827 -0.763 2.671) 6.455 15.042 ( -1.864 3.068 8.955) 9.648 16.006 ( 1.554 1.540 -11.218) 11.430 16.255 ( 2.689 -2.259 -1.167) 3.701 16.442 ( 0.111 0.535 0.350) 0.649 16.559 ( -1.283 4.909 -1.885) 5.413 16.943 ( -0.490 1.451 1.124) 1.899 ======================= Grid point 161 (79/226) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 3.376 8.248 10.250) 13.583 1.540 ( 9.188 13.112 2.139) 16.152 2.543 ( -3.433 0.978 2.263) 4.227 2.842 ( 10.398 17.240 -3.462) 20.428 3.799 ( -3.436 -6.163 -2.976) 7.658 4.105 ( -1.208 -6.931 -4.010) 8.098 4.595 ( -7.884 -6.999 0.733) 10.568 4.846 ( 0.833 3.045 -0.493) 3.195 4.938 ( -5.939 -15.212 -4.066) 16.829 5.683 ( 1.949 -6.186 7.170) 9.669 5.739 ( 3.821 -4.038 3.199) 6.414 5.866 ( 1.339 -0.433 -1.891) 2.357 6.313 ( 3.994 0.297 3.609) 5.391 6.641 ( -11.348 3.943 3.262) 12.449 7.018 ( -1.529 -4.899 -2.721) 5.809 7.210 ( 0.760 4.775 1.648) 5.108 7.594 ( -2.445 2.955 -2.080) 4.363 9.002 ( 7.367 6.469 -4.061) 10.612 12.245 ( -2.270 -2.868 -2.067) 4.201 12.914 ( 3.148 1.126 0.413) 3.368 13.273 ( 5.794 8.573 2.219) 10.582 13.776 ( 2.210 9.899 -6.574) 12.087 14.297 ( -3.923 -4.494 0.479) 5.985 14.742 ( 2.986 0.350 0.667) 3.080 15.094 ( -0.972 -0.080 10.763) 10.807 15.973 ( -0.001 3.502 -10.238) 10.821 16.278 ( 3.606 -2.559 -2.037) 4.868 16.453 ( 0.186 0.840 0.461) 0.976 16.587 ( 0.657 4.797 -1.886) 5.196 16.943 ( -0.966 -0.213 1.120) 1.495 ======================= Grid point 162 (80/226) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 5.395 7.190 6.140) 10.886 1.793 ( 4.067 16.317 0.301) 16.819 2.414 ( -9.627 -4.394 1.034) 10.633 3.139 ( 10.694 8.565 -1.225) 13.756 3.716 ( 1.108 -4.861 -0.431) 5.005 4.002 ( -2.388 -6.762 -0.437) 7.184 4.472 ( -2.969 1.889 -3.765) 5.153 4.698 ( -0.900 -15.808 -5.133) 16.645 4.902 ( 1.058 3.569 1.731) 4.105 5.650 ( -1.621 -3.428 -3.910) 5.447 5.739 ( -0.934 -4.828 3.858) 6.251 5.888 ( -0.176 0.256 3.738) 3.751 6.374 ( -1.729 3.141 2.089) 4.150 6.525 ( -4.517 -1.420 3.570) 5.930 6.952 ( -0.083 -3.729 -1.425) 3.993 7.248 ( -4.817 7.374 2.672) 9.205 7.606 ( 4.261 -1.057 -2.178) 4.901 9.137 ( 5.244 4.123 -2.657) 7.180 12.200 ( 1.222 -2.703 -1.543) 3.343 12.957 ( -1.783 4.953 0.692) 5.310 13.434 ( 5.920 4.964 -0.634) 7.752 13.878 ( 3.316 6.059 -1.006) 6.979 14.185 ( -4.381 -5.364 0.509) 6.945 14.773 ( 0.378 1.009 -1.217) 1.625 15.107 ( -3.035 -3.104 9.183) 10.157 15.977 ( 1.838 4.537 -6.239) 7.930 16.294 ( 2.827 -2.631 -2.275) 4.482 16.467 ( -0.051 1.265 0.350) 1.313 16.651 ( 2.698 5.304 -1.890) 6.244 16.920 ( -1.286 -2.020 1.085) 2.629 ======================= Grid point 163 (81/226) ======================= q-point: (-0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -1.308 4.797 0.749) 5.028 1.996 ( -0.543 17.219 1.114) 17.264 2.199 ( -9.285 -5.111 1.590) 10.717 3.316 ( 6.729 -0.460 0.050) 6.745 3.702 ( 2.168 -8.101 0.194) 8.388 3.940 ( 2.864 -3.441 3.409) 5.627 4.480 ( 4.521 1.894 -7.115) 8.640 4.602 ( 4.487 -3.782 -4.193) 7.212 4.946 ( -0.946 2.385 2.365) 3.490 5.481 ( -9.335 -4.597 -10.701) 14.926 5.709 ( -2.489 0.280 3.965) 4.690 5.896 ( -2.089 -0.790 7.681) 8.000 6.346 ( -4.689 3.575 -0.578) 5.925 6.517 ( 2.456 -4.920 4.554) 7.140 6.935 ( 2.518 -2.670 -1.080) 3.826 7.238 ( -6.127 7.259 2.696) 9.874 7.668 ( 6.051 -2.344 -1.636) 6.692 9.214 ( 2.150 2.393 -1.956) 3.765 12.213 ( 3.965 -1.989 -1.511) 4.686 12.959 ( -5.145 7.041 0.512) 8.735 13.543 ( 3.487 2.196 -2.124) 4.636 13.960 ( 1.397 -0.055 3.164) 3.459 14.090 ( -1.060 -2.397 -0.040) 2.621 14.767 ( -0.855 0.561 -1.507) 1.822 15.041 ( -5.883 -3.562 4.863) 8.423 16.040 ( 3.349 3.960 -1.612) 5.431 16.297 ( 2.092 -2.493 -1.893) 3.764 16.476 ( -0.651 1.624 -0.057) 1.751 16.743 ( 3.307 5.125 -1.714) 6.336 16.881 ( -0.903 -3.341 1.111) 3.635 ======================= Grid point 164 (82/226) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -11.647 -0.820 -0.503) 11.687 1.899 ( -17.405 8.044 0.591) 19.183 2.269 ( 7.888 4.745 2.501) 9.539 3.322 ( -3.170 -4.974 0.270) 5.904 3.688 ( 8.167 -7.959 0.299) 11.408 4.057 ( 12.364 -5.250 -0.259) 13.435 4.549 ( 2.804 3.296 0.500) 4.356 4.709 ( 6.969 9.781 -5.618) 13.259 4.933 ( -3.513 0.569 1.071) 3.716 5.210 ( -8.480 -4.637 -9.137) 13.300 5.702 ( -2.064 1.498 2.970) 3.915 5.896 ( -1.837 -1.968 7.011) 7.510 6.295 ( -5.093 3.837 -1.473) 6.544 6.539 ( 3.923 -6.981 4.249) 9.065 6.964 ( 4.103 -1.571 -1.383) 4.606 7.225 ( -4.350 5.291 2.147) 7.178 7.721 ( 3.810 -2.129 -1.528) 4.624 9.231 ( -0.882 1.348 -1.636) 2.296 12.265 ( 5.320 -1.267 -2.382) 5.964 12.936 ( -5.779 6.481 0.787) 8.719 13.523 ( -5.702 -0.848 -1.704) 6.011 13.987 ( 4.078 -3.750 4.312) 7.020 14.115 ( 2.527 1.582 -0.899) 3.114 14.747 ( -0.897 -0.320 0.174) 0.968 14.923 ( -7.183 -2.037 1.508) 7.617 16.126 ( 3.425 2.866 0.506) 4.494 16.298 ( 1.815 -1.984 -1.163) 2.930 16.472 ( -1.536 1.537 -0.420) 2.214 16.793 ( -0.424 0.072 -1.724) 1.777 16.873 ( 2.217 0.044 0.815) 2.362 ======================= Grid point 165 (83/226) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -17.594 -2.214 1.935) 17.838 1.696 ( -18.110 6.747 1.161) 19.361 2.424 ( 6.314 0.303 1.663) 6.536 3.167 ( -9.882 -5.629 1.205) 11.437 3.804 ( 12.287 -3.244 -3.135) 13.089 4.179 ( 9.714 -4.656 -5.241) 11.979 4.578 ( -5.733 5.836 2.726) 8.623 4.850 ( 3.550 2.913 -1.927) 4.980 4.971 ( 7.432 6.841 -4.228) 10.950 5.103 ( 2.900 -1.625 1.062) 3.490 5.701 ( -1.813 1.238 2.964) 3.688 5.868 ( -2.955 -3.270 5.072) 6.719 6.250 ( -4.028 4.364 -0.218) 5.943 6.553 ( 3.328 -7.410 2.561) 8.517 7.017 ( 5.148 -1.468 -1.344) 5.519 7.216 ( -2.820 3.070 0.858) 4.256 7.728 ( 0.472 -1.851 -1.939) 2.722 9.198 ( -3.340 1.186 -1.682) 3.923 12.325 ( 5.161 -0.619 -3.820) 6.451 12.906 ( -4.496 3.676 1.383) 5.970 13.363 ( -11.065 -1.280 0.565) 11.153 14.062 ( 4.632 -2.155 1.659) 5.372 14.158 ( 3.300 0.192 -1.864) 3.795 14.745 ( 0.216 -0.998 3.722) 3.860 14.801 ( -7.004 0.384 0.034) 7.015 16.199 ( 2.812 1.179 -0.696) 3.128 16.313 ( 2.037 -0.513 0.402) 2.139 16.450 ( -2.216 0.855 -0.391) 2.407 16.748 ( -1.805 -1.695 -2.377) 3.432 16.916 ( 1.248 0.844 0.030) 1.507 ======================= Grid point 166 (84/226) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -17.456 0.421 5.701) 18.368 1.437 ( -19.964 1.532 3.288) 20.291 2.474 ( -1.780 -2.883 1.195) 3.593 2.911 ( -16.825 0.384 -0.316) 16.832 3.962 ( 12.583 -1.404 -5.863) 13.952 4.252 ( 5.667 2.606 -3.781) 7.294 4.607 ( 8.085 -3.694 -0.461) 8.901 4.896 ( 1.153 1.259 -2.444) 2.982 5.085 ( 8.054 -1.335 -3.813) 9.010 5.294 ( 6.635 10.331 9.540) 15.548 5.686 ( -2.263 -2.908 3.221) 4.894 5.813 ( -3.861 -0.601 5.120) 6.441 6.254 ( -0.581 4.728 0.381) 4.779 6.528 ( 0.810 -7.227 0.960) 7.336 7.086 ( 5.809 -2.160 -0.707) 6.237 7.200 ( -1.549 1.299 -1.012) 2.261 7.683 ( -2.332 -1.278 -2.519) 3.663 9.129 ( -5.375 1.723 -2.515) 6.179 12.374 ( 4.146 0.376 -4.824) 6.372 12.876 ( -2.273 -0.104 1.777) 2.887 13.175 ( -12.681 1.001 2.614) 12.986 14.058 ( -0.800 -1.260 -7.464) 7.612 14.234 ( 5.941 -1.273 2.126) 6.437 14.703 ( -5.284 0.509 1.597) 5.543 14.789 ( 1.051 0.906 5.775) 5.940 16.222 ( 2.037 -1.714 -3.918) 4.737 16.361 ( 2.093 1.912 1.377) 3.152 16.416 ( -2.204 -0.110 0.149) 2.212 16.682 ( -2.993 0.024 -4.403) 5.324 16.921 ( -0.826 -0.511 0.100) 0.976 ======================= Grid point 169 (85/226) ======================= q-point: ( 0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -9.198 15.353 5.822) 18.821 1.325 ( -7.209 7.730 13.473) 17.124 2.302 ( -18.538 20.034 2.139) 27.378 2.697 ( 1.496 -2.877 -2.784) 4.273 4.117 ( 2.134 1.401 -5.504) 6.067 4.394 ( 2.692 -5.842 -6.444) 9.105 4.751 ( 14.094 -6.826 0.304) 15.664 4.929 ( 5.307 -1.049 -0.375) 5.422 5.130 ( 1.783 -7.527 0.915) 7.789 5.390 ( -1.343 -8.015 3.371) 8.798 5.694 ( -2.344 -6.926 0.955) 7.374 5.804 ( -0.493 -2.472 7.935) 8.326 6.362 ( -3.987 -2.175 5.452) 7.096 6.606 ( 6.972 6.645 2.168) 9.872 7.035 ( 1.621 -1.387 -3.778) 4.339 7.239 ( 4.388 0.911 -0.551) 4.516 7.643 ( -2.479 4.530 -1.419) 5.356 8.933 ( -8.632 8.015 -6.482) 13.445 12.614 ( 5.137 8.986 -0.062) 10.351 12.685 ( 0.523 -6.726 -2.635) 7.243 12.931 ( -14.827 4.358 1.150) 15.497 13.803 ( -4.103 10.132 -9.579) 14.535 14.350 ( 4.445 -3.359 0.696) 5.615 14.648 ( -3.177 -1.227 1.297) 3.645 15.073 ( -0.668 2.256 10.102) 10.373 15.898 ( -1.144 -0.509 -9.239) 9.323 16.307 ( -1.713 -1.537 -1.627) 2.818 16.437 ( -0.422 0.003 0.335) 0.538 16.631 ( -1.552 5.894 -4.945) 7.849 16.921 ( 0.264 1.070 1.789) 2.101 ======================= Grid point 170 (86/226) ======================= q-point: ( 0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -3.721 17.482 4.856) 18.521 1.382 ( -3.749 6.381 14.569) 16.341 2.317 ( -7.550 27.042 1.908) 28.141 2.684 ( 1.859 -2.766 -2.552) 4.197 4.084 ( -2.467 -0.414 -6.169) 6.657 4.303 ( -0.956 -7.288 -6.707) 9.950 4.879 ( 4.808 -2.890 0.263) 5.616 4.941 ( 0.849 -9.419 -1.016) 9.511 5.125 ( 9.848 -9.970 1.315) 14.075 5.292 ( -1.944 -10.714 2.500) 11.172 5.654 ( 2.646 -3.740 3.878) 6.003 5.816 ( -0.249 -2.415 6.320) 6.771 6.288 ( -5.212 -2.347 4.128) 7.051 6.784 ( 4.406 7.044 3.363) 8.963 7.029 ( 2.106 -2.222 -3.038) 4.313 7.275 ( -2.080 0.491 -0.506) 2.196 7.667 ( 1.938 5.032 -1.938) 5.730 8.853 ( -6.732 10.232 -6.798) 14.008 12.623 ( -1.115 -3.569 -5.004) 6.247 12.685 ( -5.847 -1.460 2.598) 6.562 12.867 ( 2.402 14.026 0.574) 14.242 13.804 ( -3.738 14.036 -8.846) 17.007 14.398 ( 5.047 -4.603 1.212) 6.938 14.581 ( -3.853 -0.258 0.469) 3.890 15.130 ( -2.028 2.149 10.539) 10.945 15.870 ( 3.221 1.040 -8.672) 9.309 16.257 ( -1.391 -1.738 -1.596) 2.739 16.437 ( 0.024 0.190 0.369) 0.416 16.628 ( -2.103 5.336 -4.104) 7.052 16.947 ( 0.351 1.460 1.058) 1.837 ======================= Grid point 171 (87/226) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 4.200 12.310 4.194) 13.666 1.475 ( -1.674 6.119 11.863) 13.452 2.528 ( 1.647 16.367 2.362) 16.619 2.699 ( 0.962 10.523 -3.695) 11.194 3.973 ( -5.800 -1.199 -5.090) 7.809 4.173 ( -2.250 -7.033 -5.083) 8.964 4.780 ( -3.096 -14.784 -0.698) 15.121 4.876 ( -2.801 2.229 -2.258) 4.232 5.137 ( -3.803 -11.570 -1.306) 12.248 5.286 ( 16.184 -13.198 8.461) 22.532 5.706 ( 3.358 -3.085 2.617) 5.258 5.824 ( 0.132 -1.512 3.154) 3.500 6.230 ( -1.677 -0.970 3.752) 4.222 6.899 ( -1.330 7.458 3.017) 8.154 7.028 ( 2.745 -4.532 -2.347) 5.795 7.193 ( -5.208 0.400 -1.295) 5.382 7.739 ( -0.297 5.903 -1.055) 6.004 8.846 ( -0.704 9.277 -5.413) 10.763 12.463 ( -10.329 -0.823 -1.325) 10.446 12.684 ( 6.758 -3.202 -2.318) 7.829 13.090 ( 5.977 12.806 3.269) 14.505 13.831 ( -3.880 14.496 -7.641) 16.840 14.394 ( -0.880 -5.108 -0.237) 5.189 14.581 ( 3.655 0.046 1.921) 4.130 15.170 ( -2.833 1.989 10.875) 11.412 15.897 ( 4.424 1.623 -10.212) 11.247 16.218 ( -0.355 -1.769 -0.777) 1.964 16.443 ( 0.227 0.313 0.378) 0.540 16.620 ( -1.961 4.854 -3.317) 6.198 16.966 ( -0.179 0.906 0.807) 1.226 ======================= Grid point 172 (88/226) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 11.662 10.583 2.791) 15.993 1.579 ( 0.482 6.489 8.464) 10.676 2.566 ( -0.143 -5.757 0.822) 5.817 2.931 ( 2.620 26.376 -3.138) 26.691 3.834 ( -6.913 -1.011 -2.166) 7.315 4.053 ( -1.946 -5.349 -3.790) 6.839 4.596 ( -2.893 -11.554 -0.385) 11.917 4.859 ( -1.251 -0.705 -1.395) 2.002 4.907 ( -7.859 -10.075 -1.538) 12.870 5.478 ( 15.232 -13.318 10.144) 22.633 5.701 ( -0.309 -3.443 -1.467) 3.755 5.829 ( 0.798 -0.432 -0.403) 0.993 6.270 ( 3.532 0.625 3.913) 5.308 6.878 ( -9.919 3.043 0.260) 10.379 6.982 ( -0.423 -2.484 -1.459) 2.911 7.194 ( 3.693 2.319 0.405) 4.380 7.727 ( -6.898 5.116 -0.270) 8.592 8.937 ( 5.106 6.790 -3.484) 9.182 12.302 ( -7.566 -0.819 -0.525) 7.629 12.783 ( 9.650 -2.232 -1.899) 10.085 13.304 ( 4.216 10.216 3.288) 11.531 13.862 ( -3.125 12.617 -5.301) 14.038 14.306 ( -3.023 -5.296 -0.702) 6.138 14.672 ( 5.513 -0.352 1.043) 5.622 15.197 ( -3.049 0.212 11.212) 11.621 15.917 ( 2.921 3.333 -11.174) 12.021 16.207 ( 1.469 -2.135 0.035) 2.592 16.455 ( 0.470 0.504 0.347) 0.772 16.625 ( -0.800 4.948 -2.704) 5.695 16.964 ( -1.047 -0.376 0.922) 1.444 ======================= Grid point 173 (89/226) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 2.817 7.294 5.848) 9.764 1.784 ( 12.511 10.591 1.151) 16.432 2.479 ( -3.360 -6.747 -0.122) 7.538 3.145 ( 0.966 15.312 -1.913) 15.462 3.728 ( -5.065 1.061 0.310) 5.185 3.969 ( -1.192 -4.859 -1.038) 5.110 4.491 ( 0.949 -5.739 -1.825) 6.097 4.588 ( -9.647 -12.164 -4.334) 16.119 4.922 ( 1.670 3.319 1.552) 4.026 5.602 ( 3.166 -8.819 3.360) 9.955 5.656 ( 4.995 -7.502 3.629) 9.716 5.842 ( 2.437 0.526 -3.648) 4.418 6.371 ( 4.514 1.244 3.046) 5.586 6.705 ( -11.498 0.425 -0.753) 11.530 6.941 ( -2.855 -0.593 -0.685) 2.996 7.313 ( 5.806 3.795 1.675) 7.136 7.632 ( -8.267 2.496 -0.159) 8.637 9.071 ( 6.081 4.520 -1.984) 7.832 12.204 ( -3.807 -0.284 0.156) 3.821 12.917 ( 8.732 -0.448 -0.816) 8.781 13.444 ( 1.254 7.992 0.977) 8.149 13.911 ( -0.564 8.226 -1.726) 8.424 14.196 ( -3.536 -5.901 -0.722) 6.917 14.743 ( 3.138 0.087 -0.930) 3.275 15.191 ( -3.805 -2.737 9.519) 10.610 15.943 ( 2.758 4.992 -8.397) 10.151 16.218 ( 2.309 -2.524 0.058) 3.421 16.471 ( 0.654 0.646 0.152) 0.932 16.662 ( 1.098 5.602 -2.203) 6.119 16.936 ( -1.917 -1.855 1.203) 2.927 ======================= Grid point 174 (90/226) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 2.218 6.802 2.989) 7.754 2.048 ( 7.365 8.190 0.705) 11.037 2.339 ( -7.080 -3.335 -0.572) 7.847 3.246 ( 1.909 4.893 0.042) 5.252 3.681 ( -3.768 0.387 1.048) 3.930 3.878 ( -1.836 -10.348 0.629) 10.528 4.384 ( 1.328 -5.584 -2.917) 6.438 4.522 ( 3.506 6.142 -3.583) 7.928 4.980 ( 0.736 1.397 2.425) 2.893 5.493 ( -4.855 -3.972 -8.236) 10.353 5.711 ( 3.169 -8.010 9.835) 13.074 5.877 ( 4.517 -2.058 -2.595) 5.602 6.451 ( 1.611 0.959 2.166) 2.865 6.537 ( -9.514 1.545 0.342) 9.644 6.885 ( -1.046 -2.113 -1.005) 2.563 7.427 ( -3.489 7.491 3.896) 9.136 7.546 ( 1.801 -2.624 -2.278) 3.913 9.180 ( 4.031 2.778 -1.100) 5.018 12.174 ( -0.398 0.625 0.261) 0.786 13.025 ( 3.624 1.665 -0.147) 3.991 13.526 ( 1.252 6.395 -0.913) 6.580 13.951 ( -0.143 -1.112 0.966) 1.480 14.095 ( -2.069 -2.037 -0.543) 2.954 14.766 ( 0.550 0.101 -1.453) 1.557 15.128 ( -5.278 -3.645 5.221) 8.270 16.007 ( 3.711 4.464 -3.871) 6.978 16.232 ( 2.179 -2.418 0.138) 3.258 16.487 ( 0.511 0.737 -0.228) 0.925 16.736 ( 2.577 5.819 -1.918) 6.646 16.885 ( -2.319 -3.081 1.564) 4.161 ======================= Grid point 175 (91/226) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -7.746 4.026 0.582) 8.749 2.124 ( -0.950 -4.233 0.432) 4.360 2.267 ( -2.867 8.680 0.500) 9.154 3.314 ( 0.911 1.835 -0.352) 2.079 3.576 ( -2.599 -8.046 2.746) 8.890 3.819 ( 6.997 -7.390 -2.315) 10.437 4.467 ( 8.302 4.568 -1.524) 9.598 4.686 ( 7.196 12.111 -0.364) 14.092 4.992 ( -1.447 -0.622 3.130) 3.504 5.277 ( -10.649 -3.531 -10.820) 15.587 5.722 ( 0.510 -5.464 6.861) 8.785 5.902 ( 2.675 -4.494 0.746) 5.283 6.434 ( -6.977 5.114 0.855) 8.693 6.464 ( 0.041 -3.307 1.244) 3.533 6.874 ( 3.077 -2.494 -0.987) 4.082 7.372 ( -7.356 2.257 2.270) 8.022 7.622 ( 5.955 0.922 -1.878) 6.312 9.237 ( 1.151 1.652 -0.691) 2.129 12.197 ( 1.907 1.487 -0.661) 2.507 13.051 ( -2.215 1.705 0.179) 2.801 13.586 ( -1.328 5.041 -1.380) 5.393 13.900 ( 1.630 -7.986 2.151) 8.429 14.101 ( 0.930 2.265 -0.542) 2.508 14.755 ( -0.541 -0.887 0.232) 1.064 15.025 ( -6.239 -1.885 1.491) 6.686 16.089 ( 3.892 2.319 -1.537) 4.784 16.249 ( 1.974 -1.375 0.750) 2.520 16.496 ( -0.201 0.739 -0.552) 0.944 16.802 ( -0.809 1.718 -1.414) 2.367 16.844 ( 1.406 -0.448 1.025) 1.797 ======================= Grid point 176 (92/226) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -14.805 0.550 1.299) 14.872 2.016 ( -12.731 2.775 0.275) 13.033 2.320 ( 5.054 -3.525 0.926) 6.231 3.257 ( -5.691 -0.073 -0.134) 5.693 3.611 ( 8.160 -0.535 0.733) 8.210 3.909 ( 12.417 -4.771 -2.874) 13.609 4.657 ( 8.320 7.655 -3.310) 11.780 4.902 ( -3.739 8.261 -4.864) 10.290 4.926 ( -5.636 -1.830 -0.014) 5.925 5.077 ( 2.863 2.219 3.460) 5.009 5.711 ( 0.302 -6.272 5.929) 8.636 5.888 ( 0.255 -4.492 1.363) 4.701 6.376 ( -5.774 2.719 1.162) 6.487 6.453 ( 1.696 -2.259 -0.187) 2.831 6.913 ( 4.634 -2.239 -0.700) 5.194 7.293 ( -4.349 -0.726 0.777) 4.477 7.691 ( 2.154 1.996 -2.493) 3.852 9.244 ( -1.459 1.366 -0.673) 2.109 12.247 ( 2.950 2.212 -2.370) 4.383 13.000 ( -4.366 -1.287 0.939) 4.648 13.527 ( -8.519 2.608 -0.251) 8.913 13.940 ( 7.681 -4.568 2.203) 9.204 14.123 ( 0.538 1.294 -2.383) 2.765 14.748 ( 0.294 -1.858 3.320) 3.816 14.919 ( -6.400 0.635 0.092) 6.432 16.143 ( 2.953 -0.725 -2.268) 3.794 16.287 ( 2.281 0.955 1.907) 3.122 16.484 ( -1.453 0.315 -0.539) 1.581 16.758 ( -2.181 -1.345 -0.281) 2.577 16.896 ( 2.111 1.699 -1.197) 2.962 ======================= Grid point 177 (93/226) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -16.081 2.365 3.900) 16.715 1.761 ( -18.184 -2.834 1.358) 18.454 2.381 ( 7.102 -5.397 0.620) 8.942 3.164 ( -9.831 4.663 -0.100) 10.881 3.761 ( 9.038 2.583 -2.245) 9.665 4.082 ( 13.546 -0.492 -3.674) 14.045 4.607 ( -11.658 -1.621 -3.058) 12.161 4.873 ( 4.865 3.378 -2.365) 6.378 4.924 ( 4.837 -0.703 -5.176) 7.119 5.335 ( 7.738 10.744 11.569) 17.583 5.671 ( -0.402 -10.016 6.424) 11.905 5.862 ( -0.179 -1.497 0.831) 1.722 6.325 ( -2.893 0.681 1.860) 3.506 6.457 ( 0.852 -1.222 -1.687) 2.250 6.971 ( 5.262 -1.821 -0.196) 5.571 7.223 ( -2.473 -2.687 -0.858) 3.751 7.701 ( -1.238 2.492 -2.995) 4.088 9.211 ( -3.716 1.810 -1.206) 4.305 12.304 ( 3.210 3.235 -3.933) 6.020 12.912 ( -3.530 -4.793 1.773) 6.211 13.399 ( -10.669 3.242 1.617) 11.267 14.008 ( 2.353 -1.891 -3.508) 4.629 14.143 ( 4.026 -0.408 -0.070) 4.047 14.759 ( -0.520 -2.219 3.700) 4.346 14.852 ( -3.346 2.707 3.113) 5.312 16.146 ( 1.706 -2.609 -3.993) 5.066 16.354 ( 2.405 2.248 1.807) 3.756 16.450 ( -2.265 -0.472 -0.152) 2.319 16.711 ( -2.468 0.659 -2.168) 3.350 16.918 ( 0.469 0.083 -1.025) 1.130 ======================= Grid point 180 (94/226) ======================= q-point: ( 0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -9.400 15.765 4.575) 18.916 1.577 ( -6.114 8.664 7.872) 13.206 2.464 ( 5.633 -4.744 0.702) 7.398 2.872 ( -18.151 10.493 -2.872) 21.161 4.094 ( 4.228 4.200 -4.505) 7.471 4.233 ( 4.521 -9.778 -2.669) 11.098 4.469 ( 9.376 -2.881 -0.574) 9.826 4.886 ( 1.121 0.875 0.861) 1.663 5.062 ( -0.062 -3.229 -2.731) 4.229 5.348 ( -0.239 -8.657 4.238) 9.642 5.633 ( -0.050 -9.779 -2.029) 9.988 5.831 ( -0.094 -1.187 5.970) 6.088 6.462 ( -4.233 0.350 8.281) 9.307 6.529 ( 8.931 4.114 -0.337) 9.839 6.958 ( 1.902 -3.139 -4.984) 6.190 7.184 ( 4.697 3.238 0.787) 5.759 7.725 ( -3.560 2.984 -0.489) 4.671 9.086 ( -6.453 5.036 -3.929) 9.080 12.592 ( 0.379 -7.907 -2.588) 8.328 12.623 ( 4.780 10.336 -0.282) 11.391 13.228 ( -14.808 5.106 1.785) 15.765 13.870 ( -0.410 4.964 -4.438) 6.671 14.254 ( 3.547 -3.359 -0.166) 4.888 14.692 ( -2.003 -0.402 2.146) 2.963 15.122 ( 2.460 -0.980 8.861) 9.248 15.899 ( -3.829 1.884 -6.880) 8.096 16.311 ( -1.971 -1.766 -2.136) 3.401 16.455 ( -1.040 0.541 0.796) 1.417 16.662 ( -0.234 4.510 -5.731) 7.296 16.934 ( 0.138 0.214 2.179) 2.194 ======================= Grid point 181 (95/226) ======================= q-point: ( 0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -7.713 18.529 4.387) 20.544 1.603 ( -6.513 8.579 8.650) 13.815 2.490 ( 2.607 -4.189 1.314) 5.106 2.762 ( -7.717 16.257 -3.024) 18.248 4.098 ( -0.912 -1.224 -7.089) 7.252 4.203 ( 1.228 -4.461 -2.281) 5.158 4.623 ( 15.378 -7.728 1.681) 17.292 4.854 ( -0.949 -8.789 -2.052) 9.076 5.022 ( -0.811 0.613 -3.114) 3.276 5.242 ( -2.997 -11.288 2.906) 12.035 5.586 ( 2.695 -5.369 3.388) 6.897 5.846 ( -0.696 -1.110 5.402) 5.559 6.404 ( -7.033 -0.971 6.013) 9.304 6.729 ( 9.548 3.542 1.727) 10.329 6.950 ( 3.015 -1.989 -4.273) 5.595 7.294 ( 2.728 3.965 0.971) 4.910 7.685 ( -1.933 1.979 -2.287) 3.589 9.012 ( -6.628 6.654 -4.070) 10.236 12.518 ( 1.727 -6.529 -4.302) 8.008 12.778 ( 0.705 5.780 2.215) 6.230 13.065 ( -11.014 9.947 0.305) 14.844 13.908 ( -0.251 8.860 -4.260) 9.834 14.278 ( 4.529 -4.970 0.416) 6.737 14.654 ( -4.138 0.673 1.288) 4.386 15.193 ( 1.895 -2.235 9.554) 9.993 15.840 ( -2.084 4.297 -6.729) 8.251 16.253 ( -1.504 -1.972 -1.906) 3.128 16.449 ( -0.789 0.655 0.834) 1.322 16.669 ( -0.522 4.522 -5.450) 7.101 16.953 ( 0.636 0.118 1.492) 1.626 ======================= Grid point 182 (96/226) ======================= q-point: ( 0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -7.693 13.839 2.571) 16.040 1.637 ( -4.088 7.123 8.110) 11.542 2.498 ( 3.378 -6.512 1.042) 7.410 2.886 ( 0.144 24.327 -2.266) 24.433 4.013 ( -1.190 -3.579 -6.181) 7.241 4.137 ( -4.225 -1.168 -2.553) 5.072 4.678 ( -2.290 -10.812 -4.715) 12.015 4.848 ( 16.305 -8.903 1.783) 18.663 4.981 ( -2.213 -0.743 -2.170) 3.187 5.110 ( -2.289 -13.295 6.616) 15.026 5.626 ( 3.684 -3.494 3.937) 6.425 5.848 ( -1.206 -0.707 3.261) 3.548 6.312 ( -6.059 -0.402 3.987) 7.264 6.885 ( 6.408 -1.914 0.973) 6.758 6.973 ( 2.335 2.573 -1.785) 3.906 7.292 ( -5.923 0.986 -0.074) 6.005 7.732 ( 5.182 4.679 -2.699) 7.485 8.953 ( -5.460 6.624 -3.209) 9.164 12.487 ( 3.730 -4.247 -5.027) 7.564 12.692 ( -10.803 -0.830 2.160) 11.048 13.157 ( 2.989 14.489 1.887) 14.914 13.964 ( -1.431 10.704 -4.425) 11.671 14.309 ( 4.469 -5.763 0.682) 7.325 14.599 ( -3.666 1.175 1.015) 3.981 15.250 ( 1.050 -2.541 9.626) 10.011 15.832 ( 0.230 5.214 -7.124) 8.831 16.207 ( -0.851 -1.887 -0.982) 2.291 16.451 ( -0.356 0.606 0.756) 1.032 16.666 ( -1.158 4.321 -4.748) 6.524 16.970 ( 0.647 -0.265 0.842) 1.094 ======================= Grid point 183 (97/226) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 2.026 9.449 1.549) 9.787 1.692 ( -1.813 6.592 5.918) 9.043 2.479 ( 2.261 -8.277 0.284) 8.585 3.128 ( 1.614 23.213 -1.802) 23.338 3.933 ( -3.128 -0.692 -2.679) 4.176 4.037 ( -4.615 0.348 -3.872) 6.034 4.513 ( -2.341 -9.783 -3.487) 10.647 4.885 ( -5.437 -4.748 1.115) 7.304 4.943 ( -3.129 -3.445 -1.500) 4.890 5.110 ( 17.877 -15.977 9.335) 25.729 5.655 ( 1.380 -3.317 0.881) 3.700 5.829 ( -1.178 -1.097 0.981) 1.885 6.276 ( -0.889 1.150 3.018) 3.349 6.902 ( 0.718 -5.371 -1.625) 5.658 7.036 ( -0.045 5.143 -0.111) 5.144 7.201 ( -3.493 0.860 -0.499) 3.631 7.829 ( 0.717 4.710 -1.033) 4.875 8.942 ( -0.659 5.531 -1.873) 5.876 12.437 ( -7.132 -0.608 -0.760) 7.198 12.606 ( 4.876 -2.411 -1.513) 5.646 13.353 ( 3.943 10.726 2.900) 11.790 14.005 ( -2.857 10.537 -3.916) 11.598 14.288 ( -1.021 -5.211 -0.943) 5.393 14.602 ( 2.537 0.032 1.809) 3.116 15.280 ( -0.624 -3.160 8.523) 9.111 15.857 ( 1.565 5.662 -7.522) 9.544 16.182 ( 0.020 -1.793 0.349) 1.827 16.457 ( 0.023 0.457 0.533) 0.703 16.665 ( -0.851 4.560 -3.825) 6.013 16.974 ( -0.151 -0.954 0.771) 1.235 ======================= Grid point 184 (98/226) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 11.709 4.994 1.439) 12.810 1.779 ( 1.527 8.095 3.424) 8.921 2.417 ( 0.256 -9.066 -0.770) 9.102 3.300 ( -1.638 13.881 -0.773) 13.999 3.877 ( -5.157 4.313 1.482) 6.885 3.958 ( -4.121 2.264 -5.204) 7.014 4.387 ( -0.800 -8.443 -2.521) 8.847 4.673 ( -10.542 -7.168 2.155) 12.928 4.929 ( 1.117 1.467 0.663) 1.959 5.311 ( 17.796 -15.411 7.962) 24.851 5.610 ( -2.076 -2.818 -3.077) 4.661 5.814 ( 0.138 -0.341 -0.983) 1.050 6.328 ( 3.488 1.183 2.056) 4.218 6.803 ( -5.106 -3.498 -2.713) 6.758 7.034 ( -5.073 3.287 -0.333) 6.054 7.235 ( 5.719 1.897 -0.095) 6.026 7.809 ( -7.309 3.105 0.826) 7.985 9.014 ( 4.385 3.971 -0.683) 5.955 12.310 ( -7.728 1.084 1.537) 7.953 12.721 ( 11.420 -1.789 -2.085) 11.746 13.500 ( 2.219 6.475 2.464) 7.275 14.022 ( -3.890 8.675 -2.978) 9.963 14.190 ( -3.360 -5.128 -1.540) 6.321 14.673 ( 4.606 -0.689 0.960) 4.755 15.261 ( -2.505 -4.331 5.825) 7.679 15.903 ( 2.307 5.610 -5.903) 8.464 16.178 ( 0.895 -1.781 1.324) 2.393 16.465 ( 0.458 0.203 0.072) 0.506 16.688 ( 0.403 5.233 -2.689) 5.897 16.955 ( -1.399 -1.663 1.170) 2.468 ======================= Grid point 185 (99/226) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 7.208 0.985 2.201) 7.601 1.979 ( 9.950 9.319 0.816) 13.657 2.314 ( -0.888 -9.320 -1.648) 9.507 3.340 ( -3.701 6.701 0.507) 7.672 3.828 ( -4.625 -8.785 -0.276) 9.932 3.851 ( -10.553 9.678 -2.448) 14.527 4.315 ( 1.299 -3.667 1.922) 4.339 4.555 ( -1.856 5.711 -0.443) 6.022 4.975 ( 2.075 -0.267 2.205) 3.040 5.454 ( 7.266 -11.036 3.423) 13.649 5.535 ( 3.621 -6.855 -1.366) 7.872 5.809 ( 0.414 0.684 -3.334) 3.428 6.411 ( 4.375 0.315 0.692) 4.441 6.676 ( -6.330 0.006 -1.954) 6.625 6.947 ( -6.910 0.798 -0.747) 6.996 7.375 ( 8.343 2.030 -0.934) 8.637 7.687 ( -10.753 1.781 2.692) 11.227 9.125 ( 5.205 2.383 0.057) 5.725 12.237 ( -4.588 2.445 1.905) 5.537 12.889 ( 11.277 -0.966 -1.197) 11.381 13.576 ( 0.672 3.214 1.626) 3.665 13.982 ( -5.434 0.466 -2.594) 6.040 14.109 ( -1.360 -0.054 -0.781) 1.569 14.731 ( 2.790 -0.850 0.176) 2.922 15.189 ( -3.825 -4.373 2.036) 6.156 15.967 ( 3.099 3.894 -2.867) 5.744 16.190 ( 1.414 -1.331 1.680) 2.568 16.476 ( 0.868 -0.054 -0.425) 0.968 16.744 ( 1.744 5.400 -1.790) 5.950 16.912 ( -2.632 -2.126 1.739) 3.804 ======================= Grid point 186 (100/226) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 6.707 -0.225 0.842) 6.764 2.087 ( -5.987 0.184 -0.869) 6.053 2.285 ( 6.720 -3.482 -0.386) 7.579 3.359 ( 0.036 4.701 1.430) 4.914 3.573 ( -8.751 -10.972 -3.546) 14.476 3.793 ( -6.774 6.520 1.470) 9.517 4.394 ( 5.426 4.281 1.040) 6.990 4.696 ( 6.326 12.982 1.571) 14.527 5.002 ( 0.890 -2.293 3.896) 4.607 5.347 ( -7.232 -1.075 -8.313) 11.070 5.599 ( 10.017 -16.681 9.002) 21.439 5.801 ( 1.198 0.621 -5.903) 6.055 6.461 ( 1.014 0.070 -0.515) 1.139 6.582 ( -5.845 2.194 -1.167) 6.352 6.852 ( -3.566 -0.367 0.229) 3.593 7.456 ( -0.267 -4.171 -2.283) 4.762 7.599 ( -2.375 6.126 3.237) 7.324 9.213 ( 3.332 1.108 0.321) 3.526 12.223 ( -1.885 3.628 1.055) 4.223 13.019 ( 5.741 -1.737 -0.476) 6.017 13.628 ( 2.716 1.736 1.798) 3.691 13.852 ( -5.471 -4.279 -2.350) 7.333 14.116 ( -0.047 2.534 -0.334) 2.556 14.747 ( 0.521 -1.733 0.668) 1.929 15.093 ( -4.117 -2.434 -1.024) 4.891 16.035 ( 3.390 0.929 -0.740) 3.592 16.220 ( 1.814 0.144 1.786) 2.549 16.487 ( 0.966 -0.200 -0.690) 1.204 16.815 ( 2.214 4.565 -1.844) 5.398 16.853 ( -3.289 -2.356 2.334) 4.671 ======================= Grid point 187 (101/226) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -10.232 -1.342 -0.580) 10.336 2.062 ( 5.754 -1.198 -0.044) 5.878 2.260 ( -4.105 -9.512 -0.192) 10.362 3.381 ( -6.412 0.886 -2.292) 6.867 3.477 ( 9.134 2.950 1.553) 9.723 3.784 ( -1.252 3.692 2.091) 4.424 4.555 ( 8.474 7.668 -4.326) 12.220 4.898 ( 2.413 3.384 -0.479) 4.184 5.077 ( 4.509 4.112 6.444) 8.875 5.132 ( -11.774 3.179 -4.278) 12.924 5.617 ( 5.413 -17.571 10.121) 20.987 5.798 ( 2.709 -0.299 -6.993) 7.506 6.438 ( -3.519 -0.230 0.202) 3.533 6.510 ( -3.660 2.124 -2.504) 4.917 6.844 ( 1.485 -0.003 1.783) 2.320 7.341 ( -4.694 -5.276 -0.376) 7.072 7.681 ( 1.936 5.371 -0.778) 5.762 9.256 ( 0.977 0.528 0.185) 1.126 12.247 ( -0.159 4.574 -0.751) 4.638 13.020 ( -1.227 -5.224 0.550) 5.394 13.691 ( -7.088 5.992 -0.698) 9.308 13.760 ( 8.496 -7.718 1.436) 11.568 14.130 ( -0.584 2.104 -1.384) 2.586 14.738 ( 0.416 -2.535 2.292) 3.443 15.005 ( -4.184 -0.074 -2.000) 4.639 16.077 ( 2.536 -1.519 -0.510) 3.000 16.274 ( 2.381 1.819 1.845) 3.519 16.491 ( 0.200 -0.343 -0.706) 0.810 16.794 ( -3.168 -1.342 1.975) 3.967 16.872 ( 1.945 2.430 -1.993) 3.697 ======================= Grid point 188 (102/226) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -11.644 1.717 1.465) 11.861 1.973 ( -14.587 -8.850 0.157) 17.062 2.172 ( 9.866 -8.233 -0.427) 12.857 3.327 ( -4.581 5.855 -0.640) 7.461 3.694 ( 8.063 8.533 0.600) 11.755 3.856 ( 7.694 0.389 0.554) 7.724 4.748 ( 9.265 6.335 -6.901) 13.176 4.816 ( -15.236 0.943 -7.922) 17.199 4.894 ( -1.449 -2.704 0.646) 3.135 5.384 ( 7.249 11.323 12.617) 18.437 5.571 ( 2.994 -18.048 9.618) 20.668 5.802 ( 2.894 -0.521 -6.070) 6.745 6.372 ( -3.441 -0.736 1.268) 3.740 6.474 ( -1.624 1.725 -3.090) 3.894 6.898 ( 3.020 0.573 2.305) 3.842 7.222 ( -3.216 -5.664 -1.222) 6.627 7.732 ( -0.133 4.409 -2.072) 4.873 9.260 ( -1.153 0.788 -0.380) 1.447 12.292 ( 1.008 5.637 -2.604) 6.291 12.917 ( -3.482 -8.415 1.607) 9.248 13.589 ( -7.983 3.162 -0.323) 8.593 13.886 ( 8.310 -2.842 1.562) 8.920 14.119 ( -0.919 1.367 -2.394) 2.906 14.749 ( 1.363 -2.179 3.537) 4.373 14.938 ( -3.352 1.129 -0.299) 3.549 16.083 ( 1.137 -2.190 -1.628) 2.956 16.344 ( 2.554 2.278 1.299) 3.661 16.474 ( -1.371 -0.741 -0.522) 1.644 16.751 ( -2.524 0.206 0.858) 2.674 16.900 ( 1.108 0.760 -2.010) 2.418 ======================= Grid point 191 (103/226) ======================= q-point: ( 0.18 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -5.785 15.901 2.451) 17.097 1.755 ( -2.985 6.713 4.093) 8.409 2.274 ( 9.970 -6.717 0.754) 12.045 3.229 ( -16.371 5.820 -0.141) 17.375 3.913 ( 9.214 -6.261 -2.477) 11.412 4.057 ( 2.818 -11.868 -2.080) 12.374 4.502 ( -4.668 12.925 -3.506) 14.183 4.902 ( -0.982 0.268 2.470) 2.671 5.037 ( -0.605 1.147 -4.945) 5.112 5.267 ( 5.395 -7.864 6.279) 11.418 5.497 ( 1.170 -10.678 -5.187) 11.929 5.858 ( -0.185 0.110 4.187) 4.193 6.411 ( 7.699 1.922 -2.184) 8.231 6.582 ( -2.712 1.459 9.330) 9.825 6.873 ( -0.034 -4.470 -4.993) 6.702 7.161 ( 3.506 4.576 1.786) 6.035 7.796 ( -2.636 0.853 0.586) 2.832 9.189 ( -3.846 2.963 -2.946) 5.679 12.507 ( -1.023 -8.450 -1.214) 8.598 12.648 ( 4.448 11.665 -1.032) 12.527 13.504 ( -11.342 5.108 1.421) 12.520 13.858 ( 2.142 -0.817 -0.797) 2.427 14.181 ( 1.806 -1.423 -0.986) 2.502 14.727 ( -0.625 -0.010 3.030) 3.094 15.075 ( 5.024 -3.122 3.752) 7.005 15.970 ( -4.467 3.361 -1.919) 5.910 16.313 ( -2.181 -2.067 -2.874) 4.158 16.478 ( 0.235 1.018 0.776) 1.302 16.675 ( -1.413 2.884 -4.532) 5.554 16.946 ( 0.072 -0.023 2.044) 2.046 ======================= Grid point 192 (104/226) ======================= q-point: ( 0.27 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -7.405 16.799 4.093) 18.809 1.819 ( -3.133 10.883 3.394) 11.823 2.354 ( 6.799 -7.021 0.925) 9.817 3.043 ( -12.461 10.092 -0.554) 16.045 3.960 ( 2.710 -11.653 -4.785) 12.885 4.041 ( 14.144 -8.354 -0.509) 16.435 4.512 ( -3.878 6.523 -1.581) 7.752 4.799 ( -4.142 -7.274 -5.783) 10.174 5.049 ( -0.656 4.720 -1.902) 5.130 5.212 ( -3.329 -9.619 2.221) 10.418 5.495 ( 5.922 -4.688 4.413) 8.748 5.879 ( -0.510 -0.288 4.945) 4.979 6.529 ( -1.357 -1.632 3.864) 4.408 6.612 ( 5.491 3.677 3.112) 7.305 6.838 ( 4.018 -3.023 -5.614) 7.537 7.283 ( 4.463 5.483 1.567) 7.242 7.732 ( -4.380 -1.473 -1.140) 4.760 9.137 ( -4.697 4.365 -2.746) 6.975 12.414 ( 0.266 -7.078 -3.155) 7.754 12.823 ( 3.440 9.632 0.935) 10.271 13.351 ( -13.352 6.805 0.562) 14.997 13.920 ( 4.155 2.499 -0.330) 4.860 14.178 ( 1.952 -3.407 -1.342) 4.150 14.733 ( -2.379 1.354 3.577) 4.504 15.138 ( 4.867 -4.670 3.673) 7.680 15.926 ( -4.732 5.719 -1.746) 7.625 16.246 ( -1.564 -2.281 -2.489) 3.721 16.482 ( -1.270 0.947 1.341) 2.075 16.674 ( 0.413 3.895 -5.503) 6.755 16.951 ( 0.061 -0.947 1.625) 1.882 ======================= Grid point 193 (105/226) ======================= q-point: ( 0.36 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -9.584 10.948 2.886) 14.834 1.849 ( -8.067 11.036 2.827) 13.960 2.370 ( 4.091 -8.349 0.950) 9.346 3.071 ( -0.354 17.401 -0.140) 17.405 3.881 ( 3.593 -9.787 -3.848) 11.113 4.160 ( 5.720 -2.990 -3.236) 7.220 4.506 ( 6.961 -9.537 1.647) 11.922 4.636 ( -4.703 -0.787 -9.313) 10.462 5.045 ( -1.375 -3.151 3.138) 4.654 5.088 ( -4.909 -4.102 1.646) 6.605 5.573 ( 3.338 -1.840 5.226) 6.468 5.885 ( -1.659 -0.703 4.444) 4.795 6.442 ( -7.404 -1.143 3.331) 8.199 6.763 ( 6.527 -1.777 1.911) 7.030 6.896 ( 7.787 1.636 -4.338) 9.062 7.381 ( -1.701 3.293 1.289) 3.924 7.666 ( 2.261 -0.006 -3.661) 4.303 9.084 ( -5.494 4.421 -1.704) 7.255 12.357 ( 2.682 -5.135 -4.186) 7.148 12.866 ( -7.448 1.493 2.347) 7.950 13.295 ( -3.441 12.757 0.356) 13.218 14.013 ( 2.923 5.323 -1.603) 6.280 14.181 ( 4.183 -5.370 0.194) 6.809 14.703 ( -5.303 2.186 2.340) 6.194 15.193 ( 5.138 -5.353 3.588) 8.242 15.906 ( -4.058 7.098 -1.462) 8.306 16.195 ( -0.745 -2.197 -1.185) 2.604 16.476 ( -1.252 0.753 1.281) 1.943 16.686 ( -0.014 4.244 -5.324) 6.809 16.953 ( 0.824 -1.651 1.031) 2.113 ======================= Grid point 194 (106/226) ======================= q-point: ( 0.45 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -9.303 6.621 1.077) 11.469 1.835 ( -5.373 7.541 2.129) 9.501 2.357 ( 3.312 -8.111 0.251) 8.765 3.271 ( 2.861 16.019 0.043) 16.273 3.861 ( 4.107 -4.282 -2.380) 6.393 4.128 ( -3.266 1.834 -4.127) 5.574 4.492 ( -3.464 -0.578 -7.482) 8.265 4.649 ( 16.641 -12.651 3.353) 21.171 4.960 ( -5.015 -9.774 7.839) 13.496 5.010 ( -4.115 1.687 -0.564) 4.483 5.621 ( 1.339 -1.409 3.206) 3.749 5.858 ( -2.764 -1.408 2.474) 3.968 6.344 ( -4.836 -0.037 1.253) 4.996 6.821 ( 3.500 -3.242 1.032) 4.881 7.019 ( 5.587 2.863 -2.592) 6.791 7.293 ( -7.357 -0.470 -0.955) 7.434 7.778 ( 8.168 3.365 -2.548) 9.194 9.029 ( -4.788 3.525 -0.190) 5.949 12.366 ( 5.890 -2.960 -3.696) 7.557 12.706 ( -11.883 -0.114 2.187) 12.083 13.414 ( 1.911 10.142 1.289) 10.400 14.080 ( 0.495 5.568 -2.918) 6.306 14.212 ( 4.433 -4.790 0.375) 6.538 14.645 ( -4.950 1.681 2.163) 5.658 15.236 ( 4.116 -5.556 2.082) 7.221 15.909 ( -2.923 7.237 -1.073) 7.878 16.168 ( -0.058 -1.900 0.488) 1.963 16.471 ( -0.830 0.289 0.776) 1.173 16.694 ( -0.431 4.436 -4.212) 6.132 16.958 ( 1.029 -1.862 0.708) 2.242 ======================= Grid point 195 (107/226) ======================= q-point: ( 0.55 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 1.144 2.303 0.591) 2.639 1.846 ( -0.907 4.251 0.679) 4.399 2.324 ( 1.069 -6.215 -0.848) 6.363 3.405 ( 0.391 6.134 0.350) 6.156 3.886 ( 1.854 -0.813 0.240) 2.039 4.116 ( -3.241 12.720 -5.131) 14.094 4.376 ( -6.175 -0.610 -3.676) 7.213 4.808 ( -8.058 -2.752 4.673) 9.713 4.825 ( 14.095 -16.140 5.956) 22.240 4.992 ( 3.671 -2.126 0.982) 4.354 5.614 ( -1.933 -1.385 -0.502) 2.430 5.817 ( -1.455 -0.884 0.972) 1.961 6.309 ( 0.098 -0.274 -0.126) 0.317 6.822 ( -1.461 -1.606 0.296) 2.191 7.087 ( 1.548 2.213 -3.159) 4.156 7.202 ( -1.474 0.075 -0.697) 1.632 7.883 ( 1.680 2.133 -1.005) 2.895 9.012 ( -0.533 2.429 1.220) 2.770 12.426 ( 1.555 0.232 -0.349) 1.611 12.572 ( -2.011 -0.421 0.369) 2.087 13.522 ( 2.008 3.534 1.486) 4.328 14.107 ( -0.458 4.002 -2.500) 4.740 14.202 ( -2.114 -1.381 -2.171) 3.330 14.627 ( 0.480 -0.355 3.015) 3.074 15.236 ( 1.620 -5.500 -0.687) 5.775 15.932 ( -1.484 5.838 0.103) 6.025 16.162 ( 0.445 -1.341 1.679) 2.194 16.464 ( -0.281 -0.207 -0.039) 0.351 16.714 ( 0.208 4.571 -2.549) 5.238 16.956 ( 0.158 -1.643 0.887) 1.874 ======================= Grid point 196 (108/226) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 10.078 -2.602 0.642) 10.428 1.901 ( 6.105 -0.310 -0.879) 6.175 2.268 ( -2.158 -2.157 -1.490) 3.396 3.417 ( -1.537 -0.966 0.360) 1.850 3.858 ( -5.736 -2.314 0.342) 6.194 4.148 ( -10.006 19.171 -6.581) 22.605 4.294 ( 0.611 -1.181 3.821) 4.046 4.681 ( -6.973 2.095 6.158) 9.536 4.917 ( 6.034 -5.556 2.647) 8.619 5.108 ( 14.892 -10.447 1.852) 18.285 5.533 ( -4.428 -1.017 -4.096) 6.117 5.806 ( -0.351 0.236 -0.219) 0.477 6.332 ( 4.037 -1.568 -1.187) 4.490 6.761 ( -5.017 1.259 -0.367) 5.186 7.046 ( -4.757 0.091 -2.927) 5.586 7.263 ( 6.588 1.693 -1.107) 6.891 7.853 ( -6.140 0.291 1.107) 6.246 9.070 ( 3.857 1.262 1.832) 4.453 12.376 ( -7.095 3.214 2.762) 8.265 12.676 ( 11.991 -0.788 -1.355) 12.093 13.558 ( 1.719 -3.808 1.430) 4.416 14.092 ( -6.611 3.219 -4.512) 8.627 14.130 ( -1.251 1.217 -0.373) 1.785 14.672 ( 3.418 -1.703 2.767) 4.716 15.180 ( -0.824 -4.818 -3.670) 6.113 15.968 ( -0.006 2.987 1.723) 3.448 16.176 ( 0.895 -0.260 2.020) 2.224 16.459 ( 0.397 -0.519 -0.654) 0.924 16.757 ( 1.231 4.067 -1.128) 4.397 16.940 ( -1.373 -1.165 1.318) 2.232 ======================= Grid point 197 (109/226) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 8.329 -7.499 -1.278) 11.280 2.029 ( 13.851 -9.921 -1.417) 17.096 2.215 ( -4.598 6.130 -0.358) 7.671 3.340 ( -2.156 -9.845 0.258) 10.081 3.707 ( -10.162 5.139 -1.538) 11.490 4.080 ( -13.674 15.172 -2.644) 20.595 4.376 ( 3.170 1.082 6.610) 7.411 4.750 ( 3.083 12.592 3.268) 13.369 4.962 ( 3.501 -5.105 4.797) 7.831 5.252 ( 14.297 -12.582 1.676) 19.119 5.418 ( -5.383 0.052 -6.600) 8.517 5.791 ( -1.113 -0.002 -1.656) 1.996 6.387 ( 5.461 -1.746 -2.105) 6.107 6.686 ( -6.279 2.156 -1.079) 6.726 6.943 ( -5.591 0.653 -1.352) 5.789 7.368 ( 5.029 -0.442 -2.534) 5.649 7.745 ( -7.186 0.527 3.046) 7.823 9.159 ( 4.510 0.070 1.696) 4.819 12.329 ( -4.931 4.665 2.036) 7.087 12.859 ( 10.972 -1.184 -0.624) 11.054 13.537 ( 3.276 -9.598 1.832) 10.306 13.967 ( -8.556 3.691 -3.827) 10.073 14.142 ( -0.320 2.590 0.270) 2.624 14.713 ( 2.007 -2.546 2.082) 3.853 15.093 ( -1.480 -3.066 -5.712) 6.650 16.005 ( 1.170 0.030 3.053) 3.270 16.210 ( 1.465 1.198 1.759) 2.584 16.460 ( 1.017 -0.713 -0.795) 1.475 16.809 ( 1.752 2.545 -0.419) 3.118 16.905 ( -2.896 -0.510 1.471) 3.288 ======================= Grid point 198 (110/226) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 7.659 -11.296 -3.823) 14.173 2.036 ( 1.960 -12.204 -1.092) 12.408 2.245 ( -2.043 3.725 1.206) 4.416 3.238 ( 4.622 -10.293 0.373) 11.290 3.651 ( -8.008 14.827 -1.897) 16.958 3.990 ( -11.702 10.757 3.267) 16.227 4.485 ( 5.698 3.745 -0.518) 6.838 4.892 ( 0.701 1.369 -0.531) 1.627 5.074 ( 6.236 4.674 8.444) 11.491 5.292 ( -6.088 2.974 -4.047) 7.892 5.346 ( 10.504 -12.567 2.333) 16.544 5.757 ( -0.743 -0.416 -3.135) 3.249 6.438 ( 3.917 -1.237 -2.899) 5.028 6.571 ( -7.395 -0.007 -2.752) 7.890 6.895 ( -2.777 3.115 2.337) 4.783 7.343 ( -2.636 -5.161 -1.979) 6.124 7.716 ( -0.641 3.333 1.476) 3.701 9.225 ( 3.047 -0.764 1.125) 3.337 12.322 ( -2.918 5.882 0.229) 6.570 12.953 ( 3.424 -5.105 0.228) 6.151 13.543 ( 8.437 -10.477 1.564) 13.543 13.860 ( -7.489 5.305 -1.478) 9.296 14.161 ( -0.878 2.654 -0.002) 2.795 14.714 ( 0.608 -3.018 1.616) 3.477 15.021 ( -1.102 -1.050 -5.770) 5.967 16.038 ( 1.342 -1.443 3.327) 3.867 16.265 ( 2.152 2.184 1.423) 3.380 16.468 ( 1.237 -0.862 -0.602) 1.624 16.841 ( -0.762 -1.617 2.837) 3.353 16.866 ( -1.254 2.484 -2.002) 3.428 ======================= Grid point 199 (111/226) ======================= q-point: (-0.09 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 5.051 -8.701 -3.894) 10.788 1.901 ( 0.410 -18.359 -0.646) 18.375 2.180 ( -9.391 4.076 1.980) 10.427 3.313 ( 9.162 -3.133 -0.000) 9.683 3.698 ( -1.260 14.748 -0.781) 14.823 3.953 ( -7.638 9.017 5.109) 12.874 4.620 ( 8.574 2.900 -4.900) 10.292 4.870 ( -0.913 -2.616 -0.437) 2.805 5.018 ( -11.315 1.253 -7.323) 13.536 5.354 ( 7.601 -14.632 5.825) 17.487 5.461 ( 5.067 10.638 10.372) 15.697 5.736 ( 1.113 -0.012 -4.450) 4.587 6.440 ( -1.771 -2.761 -5.687) 6.565 6.459 ( -1.992 1.106 0.792) 2.412 6.922 ( -0.617 3.682 3.987) 5.462 7.217 ( -4.201 -6.192 -1.357) 7.605 7.757 ( 0.730 3.286 -0.734) 3.446 9.257 ( 1.399 -0.751 0.247) 1.607 12.344 ( -1.332 7.056 -1.723) 7.385 12.888 ( -2.401 -9.513 1.567) 9.935 13.600 ( 6.727 -6.858 -1.665) 9.750 13.832 ( -1.858 4.911 3.258) 6.179 14.153 ( -2.353 2.012 -1.427) 3.409 14.719 ( 1.860 -2.103 2.331) 3.649 14.966 ( -1.243 -0.455 -4.363) 4.560 16.056 ( 0.386 -1.269 2.269) 2.628 16.330 ( 2.384 2.228 0.806) 3.361 16.471 ( 0.289 -1.000 -0.416) 1.121 16.805 ( -2.826 -0.777 3.061) 4.238 16.877 ( 0.981 1.179 -2.757) 3.155 ======================= Grid point 202 (112/226) ======================= q-point: ( 0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 6.874 8.948 -0.187) 11.285 1.817 ( 8.118 2.297 1.098) 8.508 2.139 ( -2.556 0.009 2.676) 3.701 3.413 ( 0.061 -1.232 0.707) 1.422 3.857 ( -12.024 -2.350 0.511) 12.262 3.920 ( -1.044 -11.189 -0.202) 11.240 4.672 ( -1.027 12.748 -5.431) 13.895 4.933 ( 3.255 2.476 3.887) 5.642 5.020 ( 0.217 -5.509 -2.970) 6.262 5.115 ( 5.657 3.968 -1.033) 6.987 5.392 ( -3.799 -10.031 -4.200) 11.519 5.875 ( 0.358 0.010 0.753) 0.834 6.308 ( 5.328 1.583 -1.893) 5.871 6.653 ( 0.367 -2.039 8.230) 8.487 6.853 ( -4.474 -1.853 -2.266) 5.347 7.174 ( 1.971 4.887 2.251) 5.730 7.827 ( -0.735 -1.235 1.441) 2.035 9.231 ( -0.859 1.308 -2.600) 3.034 12.462 ( -3.084 -7.643 0.564) 8.262 12.682 ( 4.010 11.673 -1.727) 12.463 13.621 ( 4.316 0.324 -0.477) 4.355 13.852 ( -6.568 -1.475 1.594) 6.917 14.164 ( -0.429 0.763 -0.222) 0.903 14.744 ( 0.775 -0.125 3.470) 3.558 14.957 ( 6.210 -3.517 -0.963) 7.201 16.070 ( -3.729 3.637 1.384) 5.390 16.310 ( -2.303 -2.425 -3.830) 5.085 16.465 ( 2.341 1.020 -0.397) 2.584 16.719 ( -3.200 1.359 -1.090) 3.643 16.952 ( 0.482 0.059 1.600) 1.672 ======================= Grid point 203 (113/226) ======================= q-point: ( 0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 5.013 4.930 0.723) 7.067 1.944 ( -4.339 17.003 1.962) 17.658 2.179 ( 8.106 -4.140 1.991) 9.317 3.331 ( -11.934 4.497 0.907) 12.785 3.735 ( 6.975 -13.939 1.185) 15.631 3.812 ( 0.044 -7.063 -2.071) 7.361 4.684 ( -8.530 6.207 -2.771) 10.907 4.777 ( -4.335 -3.627 -9.474) 11.032 5.111 ( -1.493 7.559 -2.073) 7.979 5.189 ( -2.264 -7.612 2.069) 8.206 5.347 ( 11.877 -2.321 5.663) 13.361 5.897 ( 1.343 0.450 1.554) 2.103 6.424 ( 7.614 1.206 -0.703) 7.740 6.668 ( 1.180 -4.398 5.244) 6.945 6.764 ( -4.071 0.573 -2.553) 4.839 7.278 ( 3.626 5.277 1.995) 6.706 7.774 ( -3.834 -3.576 0.009) 5.243 9.211 ( -2.101 2.647 -2.242) 4.055 12.352 ( -2.089 -6.253 -1.336) 6.727 12.857 ( 4.502 10.611 -0.147) 11.527 13.606 ( -9.979 5.203 -0.230) 11.256 13.821 ( 6.192 -4.141 1.944) 7.698 14.145 ( -0.952 -0.419 -2.035) 2.285 14.789 ( 0.316 0.903 6.030) 6.105 15.011 ( 5.865 -4.311 -1.706) 7.476 16.053 ( -4.317 5.235 1.140) 6.880 16.233 ( -1.617 -2.586 -3.289) 4.485 16.501 ( 0.940 0.705 0.146) 1.184 16.690 ( -1.630 3.258 -2.305) 4.311 16.952 ( -0.500 -1.494 1.090) 1.916 ======================= Grid point 204 (114/226) ======================= q-point: ( 0.36 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -7.683 6.293 1.488) 10.042 2.064 ( 0.460 10.041 0.251) 10.055 2.250 ( 1.116 -4.251 1.563) 4.665 3.242 ( -5.032 10.141 0.410) 11.328 3.718 ( 4.036 -9.739 1.260) 10.617 3.854 ( 14.512 -8.919 -2.379) 17.199 4.469 ( -7.690 -8.792 -3.450) 12.179 4.720 ( -5.392 10.040 -9.045) 14.550 5.032 ( -2.877 -10.185 7.646) 13.057 5.165 ( -2.834 6.390 -5.248) 8.741 5.530 ( 5.709 0.054 7.476) 9.407 5.929 ( -0.282 0.142 3.765) 3.778 6.508 ( 0.581 -2.806 0.842) 2.986 6.690 ( 3.920 -4.110 2.672) 6.277 6.746 ( 4.308 4.086 -4.507) 7.454 7.411 ( 4.432 5.683 2.042) 7.491 7.644 ( -5.035 -5.349 -2.740) 7.840 9.184 ( -3.483 2.845 -1.099) 4.629 12.270 ( -0.118 -4.649 -2.494) 5.277 12.976 ( -1.154 5.076 1.344) 5.377 13.493 ( -8.558 7.758 -0.569) 11.565 13.930 ( 8.422 -2.505 1.911) 8.992 14.116 ( -0.146 -0.812 -2.081) 2.239 14.814 ( -3.071 1.782 4.770) 5.946 15.055 ( 6.179 -4.887 -1.505) 8.020 16.042 ( -4.426 6.394 0.896) 7.828 16.177 ( -0.607 -2.534 -1.225) 2.879 16.508 ( -0.813 0.188 0.777) 1.140 16.699 ( -0.171 4.615 -3.437) 5.757 16.930 ( -0.005 -2.793 0.754) 2.893 ======================= Grid point 205 (115/226) ======================= q-point: ( 0.45 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -9.289 1.963 0.168) 9.495 2.052 ( -12.692 5.625 -0.271) 13.885 2.229 ( 5.052 -4.473 0.326) 6.756 3.332 ( 2.943 7.020 -0.292) 7.617 3.750 ( 4.801 0.073 -0.083) 4.802 4.013 ( 14.973 -6.856 -1.960) 16.584 4.324 ( 1.191 -5.763 -0.030) 5.884 4.648 ( -7.574 5.296 -4.121) 10.119 4.962 ( -1.253 -7.078 6.523) 9.707 5.118 ( -5.649 4.178 -4.226) 8.199 5.619 ( 1.234 0.226 5.067) 5.220 5.919 ( -3.342 -0.818 4.064) 5.325 6.424 ( -5.560 -2.460 -0.665) 6.116 6.747 ( 4.871 -2.018 2.259) 5.737 6.888 ( 9.517 2.386 -4.271) 10.701 7.410 ( -8.678 -1.177 -1.072) 8.823 7.635 ( 9.571 1.152 -1.911) 9.827 9.136 ( -4.800 1.913 0.444) 5.186 12.245 ( 3.234 -2.667 -2.378) 4.820 12.907 ( -10.246 0.574 1.910) 10.438 13.493 ( -1.254 7.200 -0.545) 7.329 14.050 ( 6.978 -0.876 0.516) 7.051 14.109 ( 1.624 -0.980 -1.013) 2.150 14.775 ( -6.179 1.827 2.729) 6.998 15.099 ( 5.975 -5.028 -2.125) 8.093 16.039 ( -4.147 6.676 0.945) 7.916 16.152 ( 0.160 -2.256 1.453) 2.688 16.493 ( -1.286 -0.303 0.484) 1.407 16.720 ( -0.418 4.613 -3.048) 5.545 16.918 ( 1.449 -2.857 0.544) 3.249 ======================= Grid point 206 (116/226) ======================= q-point: (-0.45 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -9.072 -0.613 -0.471) 9.105 1.885 ( -5.168 -5.590 -1.723) 7.805 2.281 ( 1.302 3.128 -0.737) 3.467 3.406 ( 2.385 -0.676 -0.273) 2.494 3.836 ( 4.848 1.587 -0.445) 5.120 4.189 ( 6.568 7.386 0.120) 9.885 4.400 ( 11.774 -4.719 0.405) 12.691 4.534 ( -6.839 -1.662 0.865) 7.091 4.921 ( -2.148 -1.917 4.146) 5.048 5.027 ( -6.401 1.943 -1.920) 6.959 5.640 ( -1.466 0.191 1.954) 2.450 5.864 ( -4.097 -0.856 2.501) 4.875 6.316 ( -3.348 -2.455 -2.216) 4.706 6.824 ( 2.608 1.125 2.992) 4.125 7.005 ( 6.433 0.189 -5.109) 8.217 7.255 ( -6.167 -1.510 -1.913) 6.631 7.798 ( 8.611 1.171 -1.430) 8.807 9.079 ( -4.118 0.623 2.200) 4.710 12.303 ( 7.188 -0.685 -1.153) 7.312 12.738 ( -11.628 0.909 1.948) 11.825 13.524 ( 0.180 0.200 -0.338) 0.432 14.109 ( 1.508 0.949 -1.610) 2.401 14.160 ( 4.492 -0.300 -0.376) 4.518 14.697 ( -5.927 0.523 2.548) 6.473 15.119 ( 4.321 -4.787 -4.624) 7.935 16.042 ( -3.810 5.485 2.529) 7.141 16.153 ( 0.587 -1.483 2.758) 3.186 16.470 ( -1.016 -0.638 -0.340) 1.246 16.738 ( -0.153 3.201 -1.402) 3.498 16.928 ( 1.826 -1.460 0.324) 2.360 ======================= Grid point 207 (117/226) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 0.327 -4.549 -0.506) 4.588 1.768 ( 1.764 -10.912 -3.517) 11.600 2.317 ( -1.642 6.441 -1.159) 6.748 3.394 ( -0.054 -5.744 -0.221) 5.749 3.924 ( 0.827 3.061 2.216) 3.868 4.298 ( 0.322 -3.396 5.836) 6.760 4.424 ( -6.808 18.489 -9.660) 21.943 4.599 ( 15.430 -10.165 5.798) 19.366 4.901 ( -7.174 5.367 5.456) 10.490 4.963 ( 1.380 -1.224 -1.016) 2.106 5.589 ( -4.942 0.148 -1.863) 5.284 5.823 ( -1.592 -0.077 1.178) 1.982 6.255 ( 0.989 -3.108 -2.546) 4.137 6.858 ( -3.229 3.483 1.889) 5.111 7.042 ( 2.123 -1.595 -5.610) 6.207 7.196 ( 1.492 0.387 -0.903) 1.786 7.883 ( 2.022 -0.926 -0.932) 2.412 9.058 ( -0.220 -0.509 3.512) 3.556 12.443 ( 8.932 1.223 0.900) 9.060 12.595 ( -7.808 1.765 1.189) 8.093 13.490 ( 0.109 -7.325 -0.142) 7.328 14.125 ( 0.536 0.239 -1.522) 1.631 14.193 ( -1.521 3.564 -2.045) 4.381 14.648 ( -1.000 -1.812 3.701) 4.240 15.093 ( 1.931 -4.163 -7.538) 8.825 16.043 ( -3.402 2.588 4.802) 6.429 16.174 ( 0.923 0.102 2.560) 2.723 16.448 ( -0.343 -0.667 -0.965) 1.222 16.763 ( 0.958 1.589 0.070) 1.857 16.944 ( 0.643 -0.196 0.386) 0.775 ======================= Grid point 208 (118/226) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 7.693 -9.303 -1.034) 12.116 1.704 ( 8.910 -14.284 -4.452) 17.414 2.339 ( -3.106 7.935 -0.731) 8.552 3.281 ( -3.183 -13.138 0.628) 13.533 3.911 ( -7.048 7.637 0.315) 10.397 4.321 ( 3.537 -1.251 2.456) 4.484 4.442 ( -9.236 14.244 -2.749) 17.197 4.791 ( 11.960 -4.099 8.044) 14.985 4.893 ( -3.408 8.639 3.699) 9.996 5.016 ( 5.789 -1.062 -0.653) 5.922 5.484 ( -5.725 0.972 -4.418) 7.297 5.803 ( -1.333 -0.672 -0.391) 1.543 6.264 ( 4.859 -2.647 -2.245) 5.971 6.812 ( -6.597 2.951 -0.919) 7.286 6.994 ( -1.880 -0.621 -3.132) 3.706 7.271 ( 5.546 0.837 -1.644) 5.845 7.842 ( -4.018 -2.498 0.564) 4.765 9.099 ( 3.447 -1.412 3.526) 5.129 12.482 ( -6.777 4.647 2.156) 8.495 12.661 ( 11.877 0.013 -0.068) 11.877 13.402 ( 0.953 -12.636 0.610) 12.687 14.086 ( -4.292 0.804 -3.126) 5.370 14.193 ( -2.079 4.842 0.615) 5.306 14.664 ( 2.398 -3.215 3.568) 5.368 15.027 ( 0.446 -2.907 -9.602) 10.042 16.039 ( -2.133 -0.121 6.426) 6.772 16.212 ( 1.193 1.495 1.822) 2.641 16.437 ( 0.403 -0.621 -1.036) 1.273 16.797 ( 1.678 0.262 0.691) 1.833 16.944 ( -1.166 0.194 0.513) 1.288 ======================= Grid point 209 (119/226) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 6.469 -14.001 -4.761) 16.141 1.743 ( 12.696 -17.032 -1.838) 21.323 2.361 ( -3.005 7.600 0.229) 8.176 3.108 ( -0.477 -13.831 1.749) 13.949 3.902 ( -6.748 14.729 -2.053) 16.331 4.336 ( -12.814 15.492 -3.890) 20.477 4.404 ( 3.904 -7.470 6.813) 10.838 4.890 ( 0.433 -1.162 1.675) 2.084 5.050 ( 7.454 4.268 5.099) 9.989 5.120 ( 6.246 1.365 1.763) 6.632 5.403 ( -3.221 5.487 -3.380) 7.204 5.759 ( -1.881 -1.711 -1.511) 2.957 6.317 ( 5.531 -2.380 -2.738) 6.614 6.688 ( -8.139 0.188 -3.635) 8.916 6.971 ( -1.514 3.120 0.779) 3.554 7.312 ( 0.570 -2.187 -2.334) 3.249 7.764 ( -2.567 -1.367 1.413) 3.233 9.163 ( 3.921 -2.177 2.502) 5.136 12.442 ( -4.735 5.801 0.061) 7.488 12.827 ( 7.825 -2.178 0.504) 8.139 13.324 ( 5.241 -13.644 1.637) 14.708 14.000 ( -5.802 2.358 -1.217) 6.380 14.213 ( -1.591 3.847 1.306) 4.363 14.680 ( 1.228 -3.301 1.866) 3.986 14.963 ( 1.102 -1.379 -9.371) 9.536 16.049 ( -0.639 -1.152 7.064) 7.186 16.261 ( 1.746 2.178 1.119) 3.008 16.437 ( 1.001 -0.726 -0.681) 1.412 16.825 ( 1.559 -0.782 0.568) 1.835 16.916 ( -2.592 0.076 0.421) 2.627 ======================= Grid point 210 (120/226) ======================= q-point: (-0.09 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 9.522 -15.920 -4.519) 19.093 1.706 ( 4.833 -18.028 -2.032) 18.774 2.367 ( -5.621 6.088 1.389) 8.402 3.100 ( 10.347 -7.264 2.347) 12.858 3.918 ( -7.200 15.658 -3.191) 17.527 4.250 ( -12.354 11.000 5.775) 17.521 4.448 ( 7.256 -6.628 -2.306) 10.094 4.874 ( -1.688 -0.103 0.396) 1.737 5.125 ( -3.369 -1.191 -4.440) 5.700 5.179 ( 3.674 -0.286 0.720) 3.755 5.532 ( 5.080 10.254 6.976) 13.402 5.711 ( -0.452 -0.836 -1.665) 1.918 6.342 ( 3.016 -3.525 -4.825) 6.693 6.552 ( -5.817 0.472 -1.421) 6.007 6.998 ( -1.125 4.219 2.822) 5.199 7.228 ( -4.366 -4.741 -1.376) 6.590 7.758 ( 1.086 0.325 0.163) 1.145 9.208 ( 3.079 -2.363 1.066) 4.025 12.436 ( -2.803 6.959 -1.964) 7.755 12.841 ( -0.695 -7.653 1.886) 7.912 13.360 ( 10.914 -9.591 0.273) 14.532 13.948 ( -4.007 3.463 2.320) 5.782 14.213 ( -2.898 2.713 -0.042) 3.970 14.681 ( 1.619 -1.995 1.207) 2.838 14.924 ( 1.050 -1.143 -7.657) 7.813 16.072 ( -0.425 -0.556 6.117) 6.157 16.319 ( 2.067 2.160 0.596) 3.049 16.447 ( 1.212 -0.871 -0.213) 1.507 16.835 ( 0.377 -1.667 0.868) 1.917 16.877 ( -1.965 0.424 -0.338) 2.038 ======================= Grid point 213 (121/226) ======================= q-point: ( 0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 15.456 -5.642 0.324) 16.457 1.626 ( 17.196 6.671 -0.005) 18.444 2.305 ( -9.177 3.574 1.270) 9.930 3.295 ( 8.197 -7.202 0.050) 10.911 3.897 ( -8.009 -7.213 1.015) 10.825 4.155 ( -18.106 1.441 4.402) 18.689 4.578 ( 16.352 4.403 -1.478) 16.999 4.902 ( 1.245 5.020 1.785) 5.471 5.013 ( -5.467 -4.841 -3.507) 8.101 5.183 ( -3.065 12.693 -8.730) 15.707 5.373 ( -5.569 -7.365 -0.680) 9.259 5.846 ( 1.532 -2.161 -2.107) 3.385 6.247 ( 3.582 2.598 -1.408) 4.643 6.651 ( 0.279 -5.128 7.507) 9.096 6.935 ( -5.652 1.252 0.041) 5.790 7.205 ( 1.101 4.073 2.196) 4.756 7.813 ( 1.401 -2.643 1.897) 3.542 9.214 ( 1.926 0.185 -2.366) 3.057 12.470 ( -4.457 -5.772 2.400) 7.678 12.714 ( 3.133 10.111 -2.500) 10.876 13.442 ( 11.712 -4.609 -1.430) 12.667 13.992 ( -7.758 0.373 1.178) 7.856 14.202 ( -2.259 1.400 1.733) 3.173 14.740 ( 1.604 -0.832 3.898) 4.296 14.814 ( 5.965 -2.259 -3.776) 7.413 16.167 ( -2.742 3.588 1.986) 4.933 16.297 ( -2.257 -2.899 -4.868) 6.099 16.430 ( 2.311 0.825 -0.661) 2.542 16.772 ( -1.905 0.041 1.254) 2.281 16.948 ( 1.103 0.117 1.085) 1.552 ======================= Grid point 214 (122/226) ======================= q-point: ( 0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 14.113 -1.484 0.955) 14.223 1.984 ( 16.109 7.891 0.860) 17.959 2.201 ( -8.711 4.438 0.711) 9.802 3.345 ( 6.960 -6.432 0.171) 9.479 3.679 ( -10.290 -8.238 0.075) 13.182 3.919 ( -14.836 2.326 4.141) 15.578 4.728 ( -1.050 -5.832 -10.766) 12.289 4.837 ( -5.051 3.573 -1.095) 6.283 5.116 ( 14.046 5.659 7.049) 16.703 5.188 ( -2.004 -7.630 0.398) 7.898 5.243 ( -4.102 9.957 -4.993) 11.870 5.851 ( 2.980 -1.310 -2.749) 4.261 6.343 ( 5.083 2.662 0.132) 5.739 6.611 ( -0.888 -7.459 3.808) 8.422 6.872 ( -5.277 2.371 1.324) 5.935 7.282 ( 2.557 3.352 2.218) 4.763 7.787 ( -1.932 -3.967 0.608) 4.454 9.230 ( 0.619 1.467 -1.955) 2.521 12.355 ( -4.647 -4.464 0.678) 6.479 12.868 ( 5.192 9.202 -1.038) 10.617 13.589 ( 11.094 -2.409 -0.628) 11.370 13.855 ( -9.710 -0.268 1.122) 9.778 14.168 ( -2.806 0.234 -0.761) 2.917 14.802 ( 3.001 -1.938 7.705) 8.493 14.869 ( 5.270 -0.726 -4.704) 7.101 16.165 ( -3.036 4.600 0.157) 5.514 16.213 ( -1.639 -2.838 -3.129) 4.531 16.473 ( 2.489 0.717 -1.071) 2.803 16.751 ( -2.489 1.832 1.359) 3.376 16.949 ( -0.466 -1.626 0.117) 1.695 ======================= Grid point 215 (123/226) ======================= q-point: ( 0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 11.722 0.531 1.270) 11.802 2.073 ( -6.612 -1.480 -0.023) 6.775 2.270 ( 5.039 7.332 0.394) 8.905 3.408 ( -4.864 3.951 -1.339) 6.408 3.479 ( 7.087 -12.472 2.152) 14.505 3.779 ( -7.319 2.068 1.513) 7.755 4.498 ( -7.884 -6.522 -5.903) 11.812 4.842 ( -3.034 7.577 -4.406) 9.275 5.044 ( -4.724 -10.042 7.742) 13.531 5.245 ( -3.148 10.723 -9.730) 14.818 5.458 ( 11.683 2.952 9.822) 15.546 5.892 ( 5.379 -0.962 -2.681) 6.087 6.439 ( 3.957 0.597 0.384) 4.021 6.561 ( 2.253 -6.921 0.435) 7.292 6.818 ( -4.592 3.015 0.970) 5.578 7.378 ( 4.953 1.815 1.922) 5.614 7.682 ( -5.890 -4.046 -1.137) 7.236 9.236 ( -0.986 1.783 -0.859) 2.211 12.253 ( -3.360 -3.085 -0.467) 4.585 13.011 ( 3.370 5.248 -0.002) 6.236 13.692 ( -9.246 4.234 -1.377) 10.262 13.756 ( 9.913 -4.235 2.219) 11.006 14.121 ( -1.988 -0.232 -1.258) 2.363 14.872 ( 2.587 -3.196 8.349) 9.307 14.909 ( 3.406 0.576 -5.979) 6.906 16.140 ( -1.240 0.930 -4.930) 5.168 16.179 ( -2.522 1.833 3.825) 4.934 16.504 ( 1.298 0.136 -0.896) 1.584 16.747 ( -1.711 3.658 0.544) 4.075 16.912 ( -0.966 -3.229 -0.252) 3.380 ======================= Grid point 216 (124/226) ======================= q-point: (-0.55 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -6.951 -4.706 -1.372) 8.505 2.110 ( 4.420 -1.837 0.684) 4.835 2.285 ( -6.361 3.795 -0.403) 7.418 3.319 ( -0.448 -1.850 -0.720) 2.035 3.670 ( 15.731 -4.027 -0.730) 16.255 3.737 ( -0.016 4.603 0.850) 4.680 4.353 ( -4.359 1.608 1.097) 4.774 4.793 ( -6.925 1.264 0.394) 7.050 4.960 ( -1.537 -4.755 4.826) 6.948 5.211 ( -4.505 7.624 -10.066) 13.407 5.637 ( 2.253 1.872 7.239) 7.809 5.954 ( 2.326 -1.065 1.236) 2.841 6.460 ( -2.079 -2.388 -0.423) 3.194 6.575 ( 9.061 -4.801 -3.317) 10.778 6.826 ( 1.203 4.023 0.637) 4.247 7.472 ( 3.181 -5.879 -2.798) 7.247 7.549 ( -3.892 3.390 1.850) 5.483 9.216 ( -2.982 0.938 0.450) 3.159 12.194 ( -0.556 -1.414 -0.485) 1.595 13.041 ( -3.788 0.616 0.668) 3.895 13.582 ( -5.324 1.432 -0.852) 5.578 13.910 ( 8.951 -0.039 1.188) 9.029 14.093 ( -0.283 -0.177 -0.828) 0.893 14.887 ( -3.814 0.372 3.616) 5.269 14.942 ( 5.994 -3.319 -4.318) 8.099 16.116 ( 0.160 0.637 -2.550) 2.634 16.182 ( -2.932 2.862 4.631) 6.183 16.504 ( -0.443 -0.626 -0.465) 0.897 16.763 ( -1.215 3.887 -0.600) 4.116 16.872 ( 0.617 -3.322 0.147) 3.382 ======================= Grid point 217 (125/226) ======================= q-point: (-0.45 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -5.994 -6.759 -2.555) 9.388 1.936 ( -12.748 -10.320 -1.425) 16.463 2.325 ( 0.942 8.838 -0.786) 8.923 3.328 ( 3.641 -4.318 -0.188) 5.652 3.738 ( 6.530 -1.576 -2.782) 7.271 3.978 ( 14.583 1.584 3.444) 15.068 4.403 ( -0.281 10.326 5.466) 11.687 4.672 ( -7.786 -2.164 3.581) 8.839 4.931 ( -0.760 -1.730 0.561) 1.971 5.143 ( -5.358 6.876 -7.930) 11.784 5.685 ( -1.204 1.282 3.517) 3.933 5.940 ( -3.460 -1.461 2.718) 4.636 6.349 ( -5.626 -2.949 -2.781) 6.934 6.714 ( 12.454 -1.990 -2.850) 12.930 6.906 ( 3.177 2.768 -0.041) 4.214 7.330 ( -6.545 -3.491 -3.208) 8.082 7.662 ( 7.664 1.236 1.335) 7.877 9.163 ( -4.379 -0.541 1.963) 4.830 12.211 ( 3.403 0.305 0.495) 3.452 12.930 ( -9.497 0.008 0.957) 9.545 13.518 ( -1.958 -3.187 -1.258) 3.946 14.036 ( 5.559 -1.313 0.992) 5.798 14.113 ( 2.748 2.504 -0.711) 3.785 14.815 ( -6.369 -0.366 1.448) 6.541 14.973 ( 5.002 -3.402 -5.775) 8.363 16.128 ( 0.854 1.755 -0.391) 1.991 16.185 ( -3.369 1.999 5.953) 7.126 16.479 ( -1.227 -0.923 -0.620) 1.656 16.759 ( -0.867 -0.113 0.044) 0.875 16.885 ( 2.275 0.209 -0.099) 2.287 ======================= Grid point 218 (126/226) ======================= q-point: (-0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -7.671 -6.264 -2.178) 10.140 1.628 ( -5.437 -15.365 -4.461) 16.898 2.405 ( -0.596 8.588 -1.251) 8.700 3.311 ( 1.589 -9.625 -0.091) 9.756 3.872 ( 9.569 2.120 1.300) 9.887 4.180 ( 7.572 -7.652 6.327) 12.487 4.485 ( -0.753 5.393 1.550) 5.662 4.648 ( -2.488 15.602 0.383) 15.804 4.917 ( 1.045 -1.186 -0.287) 1.607 5.090 ( -5.434 6.834 -1.546) 8.867 5.666 ( -4.098 1.225 -0.224) 4.283 5.873 ( -3.943 -1.274 1.722) 4.487 6.227 ( -3.212 -2.880 -2.974) 5.240 6.872 ( 10.286 -1.323 -4.100) 11.152 6.952 ( -0.811 2.754 0.517) 2.917 7.207 ( -3.517 -1.224 -1.794) 4.134 7.788 ( 6.697 -1.348 -0.200) 6.834 9.099 ( -3.449 -2.062 3.641) 5.422 12.315 ( 7.437 1.430 1.738) 7.770 12.779 ( -10.099 1.520 0.960) 10.258 13.425 ( -1.910 -8.645 -1.333) 8.953 14.081 ( 2.799 -2.770 1.147) 4.102 14.203 ( 3.320 4.836 -1.365) 6.023 14.709 ( -5.827 -1.954 1.789) 6.401 14.970 ( 3.215 -2.899 -8.323) 9.381 16.158 ( -2.032 4.171 0.969) 4.740 16.182 ( -1.229 -0.953 7.293) 7.457 16.447 ( -0.978 -0.703 -1.170) 1.679 16.751 ( 0.875 -2.024 1.205) 2.513 16.926 ( 1.779 1.144 -0.438) 2.160 ======================= Grid point 219 (127/226) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 0.165 -12.797 -1.613) 12.899 1.448 ( 1.409 -14.128 -6.791) 15.739 2.452 ( -2.117 7.616 -1.124) 7.984 3.180 ( -1.538 -19.003 0.956) 19.089 4.045 ( 2.575 7.055 2.319) 7.860 4.181 ( 4.194 -7.882 4.504) 10.000 4.620 ( 3.953 11.935 -3.597) 13.077 4.758 ( -2.500 13.839 1.228) 14.116 4.945 ( 3.267 0.524 1.639) 3.692 5.085 ( -4.640 7.543 4.032) 9.730 5.572 ( -6.688 1.086 -3.778) 7.758 5.817 ( -2.134 -2.013 0.350) 2.954 6.178 ( 1.490 -1.574 -1.523) 2.649 6.887 ( -0.856 -3.638 -6.718) 7.687 6.992 ( -0.459 4.677 1.559) 4.952 7.196 ( 3.330 0.583 -0.741) 3.461 7.830 ( 1.523 -3.518 -0.886) 3.934 9.071 ( 0.225 -3.140 4.704) 5.660 12.487 ( 10.276 1.365 2.167) 10.590 12.655 ( -8.348 3.295 0.645) 8.998 13.287 ( -1.596 -12.814 -0.554) 12.925 14.094 ( 0.643 -2.360 1.293) 2.767 14.271 ( -0.171 5.664 -1.590) 5.886 14.636 ( -1.158 -3.565 3.187) 4.920 14.930 ( 1.361 -1.952 -10.237) 10.510 16.139 ( -4.744 0.893 6.813) 8.350 16.219 ( 1.059 1.137 2.831) 3.229 16.425 ( -0.216 -0.250 -1.420) 1.458 16.763 ( 2.079 -2.471 1.716) 3.657 16.950 ( 0.544 0.377 -0.566) 0.871 ======================= Grid point 220 (128/226) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 2.484 -15.006 -5.712) 16.247 1.351 ( 12.524 -17.623 -2.771) 21.797 2.464 ( -2.400 4.152 -0.914) 4.882 2.967 ( -0.169 -21.062 2.117) 21.169 4.109 ( -3.861 13.383 -2.134) 14.092 4.260 ( 6.174 -5.031 4.967) 9.386 4.654 ( -9.567 14.002 -6.570) 18.186 4.883 ( 3.825 3.445 6.671) 8.427 5.028 ( 0.319 2.560 0.010) 2.580 5.152 ( 1.579 9.591 6.394) 11.635 5.473 ( -3.271 3.284 -3.944) 6.086 5.758 ( -1.814 -3.302 -1.134) 3.935 6.213 ( 3.842 -0.365 -0.719) 3.926 6.762 ( -5.120 -3.235 -6.425) 8.829 7.024 ( -0.945 4.230 1.304) 4.527 7.262 ( 3.056 0.351 -1.484) 3.415 7.778 ( -1.828 -4.303 -0.312) 4.686 9.095 ( 3.122 -3.648 4.111) 6.321 12.569 ( -4.789 3.542 -2.008) 6.286 12.685 ( 8.815 1.359 3.020) 9.417 13.149 ( 0.970 -14.632 1.305) 14.723 14.070 ( -2.304 -1.069 1.683) 3.047 14.294 ( -2.156 4.902 0.062) 5.355 14.633 ( 1.995 -3.617 2.536) 4.847 14.874 ( 1.044 -0.667 -10.540) 10.613 16.117 ( -3.214 -0.659 8.798) 9.389 16.262 ( 1.224 1.846 1.152) 2.497 16.418 ( 0.351 -0.049 -1.023) 1.083 16.785 ( 2.197 -2.531 1.291) 3.592 16.943 ( -0.921 -0.639 -0.531) 1.240 ======================= Grid point 221 (129/226) ======================= q-point: (-0.09 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 6.408 -17.987 -5.408) 19.845 1.382 ( 11.972 -18.527 -1.557) 22.113 2.463 ( 0.489 0.875 -0.297) 1.045 2.866 ( 7.039 -13.934 2.624) 15.830 4.150 ( -5.836 14.590 -4.456) 16.333 4.298 ( 1.685 -5.097 2.637) 5.981 4.583 ( -11.046 12.650 0.030) 16.794 4.935 ( -3.819 1.689 2.842) 5.051 5.071 ( 3.705 2.199 -0.245) 4.315 5.234 ( -3.154 3.791 -0.644) 4.973 5.557 ( 5.404 7.139 2.925) 9.420 5.698 ( -0.084 -2.210 -1.193) 2.513 6.256 ( 2.161 -0.662 -1.819) 2.901 6.617 ( -4.768 -2.249 -4.308) 6.808 7.062 ( -0.471 4.096 2.046) 4.603 7.248 ( -2.742 -1.831 -1.530) 3.635 7.731 ( 0.825 -2.787 0.027) 2.906 9.134 ( 3.465 -3.750 2.240) 5.575 12.527 ( -3.118 4.764 -3.439) 6.652 12.795 ( 1.811 -2.871 2.681) 4.326 13.103 ( 8.536 -11.719 1.857) 14.617 14.038 ( -2.696 0.664 3.708) 4.632 14.292 ( -3.114 3.267 -0.056) 4.514 14.643 ( 1.581 -2.059 0.813) 2.720 14.841 ( 1.869 -0.430 -8.739) 8.947 16.126 ( -1.514 -0.323 8.796) 8.931 16.310 ( 1.873 1.987 0.467) 2.771 16.422 ( 0.778 -0.168 -0.435) 0.908 16.797 ( 1.719 -2.327 -0.176) 2.898 16.908 ( -1.748 -1.319 0.156) 2.195 ======================= Grid point 224 (130/226) ======================= q-point: ( 0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 18.238 -5.057 3.814) 19.307 1.356 ( 20.442 1.607 -1.705) 20.576 2.450 ( -3.762 0.302 0.756) 3.849 2.995 ( 17.756 -9.521 -1.097) 20.177 4.057 ( -12.714 0.960 3.802) 13.305 4.319 ( 2.413 1.331 -1.660) 3.217 4.564 ( -12.773 3.202 4.015) 13.767 4.962 ( -1.353 5.749 -0.025) 5.906 5.033 ( -4.181 -3.398 -2.908) 6.122 5.277 ( -4.126 3.915 -7.686) 9.562 5.431 ( -3.914 2.857 0.296) 4.855 5.766 ( 3.036 -4.112 -2.058) 5.510 6.224 ( 0.910 2.447 -1.867) 3.210 6.639 ( 1.160 -4.587 7.733) 9.066 7.040 ( -5.324 1.725 -0.516) 5.620 7.234 ( 0.434 2.343 1.810) 2.992 7.759 ( 3.120 -2.886 1.776) 4.606 9.151 ( 3.945 -0.237 -2.270) 4.558 12.517 ( -3.902 -3.053 3.761) 6.221 12.741 ( 1.495 7.167 -3.185) 7.984 13.179 ( 13.227 -5.345 -2.099) 14.419 14.092 ( -4.141 -0.593 -0.867) 4.272 14.276 ( -3.486 1.258 2.909) 4.712 14.676 ( 4.605 -2.197 -1.855) 5.429 14.747 ( 1.067 0.864 2.800) 3.119 16.239 ( -1.675 2.592 -2.116) 3.742 16.276 ( -2.018 -2.638 -3.387) 4.744 16.408 ( 0.950 0.719 0.044) 1.192 16.784 ( 1.191 -0.438 1.289) 1.808 16.931 ( 1.536 -0.382 0.977) 1.860 ======================= Grid point 225 (131/226) ======================= q-point: ( 0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 17.160 -2.438 3.404) 17.664 1.729 ( 21.227 2.494 -0.028) 21.373 2.366 ( -7.346 2.430 -0.361) 7.746 3.137 ( 10.466 -6.403 -1.586) 12.371 3.857 ( -14.789 0.085 2.961) 15.083 4.239 ( -15.734 1.634 5.667) 16.803 4.547 ( 8.566 -3.567 -7.595) 11.991 4.908 ( -4.105 -2.122 -0.855) 4.699 5.042 ( 4.759 6.504 2.848) 8.547 5.184 ( -3.775 -3.132 -1.355) 5.089 5.406 ( -6.081 10.831 -5.054) 13.410 5.766 ( 2.646 -3.213 -2.299) 4.755 6.288 ( 4.577 1.963 0.601) 5.016 6.610 ( -2.778 -5.955 5.284) 8.432 6.978 ( -4.693 2.346 -0.071) 5.247 7.275 ( 1.825 -0.158 2.047) 2.747 7.771 ( 0.470 -2.600 0.566) 2.702 9.200 ( 3.004 0.953 -1.752) 3.606 12.422 ( -6.220 -2.262 2.326) 7.015 12.848 ( 4.974 5.653 -1.696) 7.718 13.352 ( 13.809 -2.466 -1.469) 14.104 13.991 ( -6.821 -0.974 -0.436) 6.904 14.225 ( -4.110 -0.099 0.266) 4.120 14.716 ( 4.340 -2.562 -1.299) 5.205 14.823 ( 3.135 1.776 5.303) 6.411 16.174 ( -1.152 -1.763 -7.185) 7.487 16.258 ( -1.986 2.965 1.534) 3.884 16.437 ( 1.938 0.708 -0.593) 2.147 16.801 ( -0.524 0.666 2.542) 2.679 16.935 ( 0.057 -1.791 -0.912) 2.011 ======================= Grid point 226 (132/226) ======================= q-point: ( 0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 14.961 -0.061 3.289) 15.318 2.020 ( 13.013 -3.767 0.654) 13.563 2.271 ( -4.449 0.794 -1.742) 4.843 3.247 ( 9.500 -0.916 -0.604) 9.563 3.624 ( -15.131 0.413 1.301) 15.193 4.009 ( -15.344 1.366 1.189) 15.450 4.520 ( -2.193 -1.542 -4.941) 5.622 4.889 ( 0.484 0.740 -0.009) 0.884 5.080 ( -4.809 -6.885 5.832) 10.224 5.304 ( 15.901 5.019 5.349) 17.511 5.373 ( -5.768 12.194 -9.823) 16.687 5.766 ( 3.258 -3.107 -3.719) 5.839 6.394 ( 4.836 1.345 2.069) 5.430 6.523 ( -3.433 -5.663 2.961) 7.254 6.920 ( -4.766 1.930 -0.693) 5.188 7.312 ( 3.494 -3.386 1.623) 5.129 7.732 ( -3.186 -0.801 -0.267) 3.296 9.241 ( 1.421 1.303 -0.740) 2.065 12.314 ( -6.118 -0.980 1.161) 6.304 12.964 ( 5.806 1.202 -0.940) 6.004 13.555 ( 12.675 0.049 0.242) 12.678 13.854 ( -8.586 -0.074 -1.047) 8.650 14.159 ( -3.481 -0.554 0.015) 3.525 14.759 ( 4.831 -2.120 -2.205) 5.718 14.912 ( 1.823 0.876 5.396) 5.762 16.113 ( -0.238 -1.336 -4.885) 5.070 16.264 ( -1.980 3.523 1.359) 4.264 16.472 ( 1.999 0.462 -0.905) 2.242 16.812 ( -1.406 1.971 2.753) 3.666 16.894 ( -1.049 -3.110 -1.838) 3.762 ======================= Grid point 227 (133/226) ======================= q-point: ( 0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 1.694 -7.089 1.564) 7.454 2.076 ( 1.439 3.288 -1.573) 3.918 2.258 ( 6.124 -8.626 -0.018) 10.579 3.346 ( -3.297 -3.747 1.672) 5.264 3.505 ( 3.279 8.711 -1.665) 9.456 3.824 ( -7.025 1.524 -2.204) 7.519 4.481 ( -4.162 7.141 3.422) 8.946 4.880 ( -2.997 -2.768 3.400) 5.311 4.976 ( -3.299 -6.386 5.232) 8.890 5.314 ( -5.881 11.440 -13.557) 18.688 5.638 ( 10.443 3.707 9.053) 14.309 5.786 ( 8.752 -4.079 -7.049) 11.955 6.443 ( -0.499 -2.207 -0.304) 2.283 6.467 ( 0.734 -2.950 2.343) 3.838 6.870 ( -2.236 2.605 -1.153) 3.621 7.338 ( 4.434 -6.325 -0.058) 7.725 7.666 ( -5.227 2.260 0.918) 5.768 9.255 ( -0.793 0.590 0.258) 1.021 12.231 ( -4.209 0.443 1.100) 4.373 13.031 ( 3.574 -2.676 -0.779) 4.532 13.665 ( -4.180 -4.858 2.331) 6.820 13.797 ( 6.205 6.364 -2.902) 9.350 14.108 ( -2.209 -0.696 0.830) 2.460 14.805 ( 4.914 -1.536 -3.933) 6.478 14.945 ( -1.230 -0.632 3.527) 3.789 16.090 ( 0.963 -0.748 -1.602) 2.013 16.275 ( -1.958 3.734 1.559) 4.495 16.491 ( 0.793 -0.428 -0.648) 1.110 16.814 ( -2.176 -0.205 -0.187) 2.194 16.846 ( -0.013 -0.582 0.751) 0.950 ======================= Grid point 228 (134/226) ======================= q-point: (-0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -6.611 -11.016 -2.844) 13.158 2.023 ( -7.783 -8.923 -0.560) 11.853 2.333 ( 6.752 2.538 -0.590) 7.237 3.253 ( -1.800 -4.206 0.350) 4.588 3.632 ( 3.458 3.467 -1.590) 5.148 3.873 ( 7.541 7.704 1.341) 10.864 4.564 ( -1.556 12.852 6.464) 14.470 4.765 ( -6.309 -9.748 9.131) 14.772 4.927 ( -0.542 -1.947 -0.575) 2.101 5.251 ( -5.406 11.585 -13.350) 18.484 5.735 ( -0.811 1.103 2.925) 3.229 5.909 ( 7.659 -3.159 -1.269) 8.381 6.401 ( -4.727 -3.269 -1.471) 5.932 6.472 ( 8.113 -1.709 -2.344) 8.616 6.901 ( 2.215 3.409 0.602) 4.109 7.318 ( 0.662 -5.881 -2.152) 6.298 7.643 ( -1.385 2.463 3.035) 4.147 9.227 ( -3.071 -0.876 1.290) 3.444 12.208 ( -0.859 1.896 2.027) 2.905 13.014 ( -1.623 -3.410 -0.704) 3.842 13.531 ( -5.585 -5.139 -0.452) 7.603 13.953 ( 6.002 2.543 0.606) 6.547 14.097 ( 0.842 1.146 0.384) 1.473 14.839 ( 4.349 -1.650 -5.380) 7.111 14.899 ( -4.376 -1.612 0.704) 4.716 16.111 ( 2.013 -0.048 1.554) 2.544 16.286 ( -2.255 3.651 2.047) 4.754 16.482 ( -0.619 -1.163 -0.364) 1.367 16.758 ( -1.325 -3.434 -0.126) 3.683 16.875 ( 0.777 2.404 1.006) 2.719 ======================= Grid point 229 (135/226) ======================= q-point: (-0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -5.401 -13.980 -5.055) 15.816 1.723 ( -14.415 -11.301 -1.907) 18.416 2.450 ( 3.253 5.412 -1.437) 6.475 3.178 ( 0.083 -11.884 -0.077) 11.884 3.758 ( 7.628 5.436 2.172) 9.615 4.090 ( 6.918 4.971 5.061) 9.909 4.575 ( -4.709 -1.181 2.238) 5.346 4.790 ( 2.431 10.629 5.561) 12.239 4.910 ( -0.271 0.385 1.732) 1.795 5.208 ( -4.412 10.521 -10.084) 15.226 5.728 ( -2.103 0.598 -0.063) 2.188 5.913 ( -1.521 -3.112 -0.369) 3.484 6.270 ( -6.106 -1.757 -2.343) 6.772 6.618 ( 12.779 -2.826 -4.652) 13.890 6.986 ( 2.534 4.132 2.093) 5.280 7.240 ( -3.159 -2.643 -1.898) 4.536 7.689 ( 3.521 -0.877 2.444) 4.374 9.160 ( -4.244 -2.582 2.628) 5.620 12.263 ( 3.003 2.728 3.258) 5.203 12.922 ( -5.950 -1.219 -0.558) 6.099 13.382 ( -4.336 -8.666 -1.692) 9.837 14.025 ( 2.323 -2.405 4.352) 5.489 14.173 ( 4.482 4.841 -2.166) 6.944 14.791 ( -5.772 -3.586 0.713) 6.833 14.853 ( 2.967 -0.426 -8.039) 8.580 16.165 ( 2.194 0.835 3.031) 3.833 16.290 ( -3.134 3.042 3.370) 5.517 16.451 ( -1.214 -1.152 -0.719) 1.821 16.717 ( 0.185 -4.008 1.458) 4.269 16.914 ( 1.065 1.578 0.069) 1.905 ======================= Grid point 230 (136/226) ======================= q-point: (-0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -4.422 -17.045 -7.411) 19.105 1.391 ( -10.203 -11.431 -2.736) 15.565 2.515 ( 0.408 2.898 -1.660) 3.365 3.001 ( -1.915 -22.467 0.641) 22.558 3.982 ( 9.346 6.514 5.366) 12.593 4.192 ( -0.466 2.771 3.695) 4.642 4.635 ( 5.554 10.019 0.453) 11.464 4.878 ( 0.395 2.028 -0.764) 2.203 4.998 ( -1.191 13.057 3.568) 13.588 5.198 ( -1.535 6.653 -3.419) 7.636 5.662 ( -5.683 0.371 -3.834) 6.866 5.838 ( -2.912 -3.600 -0.220) 4.635 6.178 ( -2.750 0.474 -0.484) 2.833 6.725 ( 8.036 -5.070 -6.607) 11.573 7.078 ( 0.518 6.112 2.897) 6.784 7.170 ( -1.194 -0.938 -1.102) 1.876 7.742 ( 3.898 -3.590 0.451) 5.318 9.086 ( -2.957 -4.071 4.209) 6.560 12.385 ( 6.258 2.322 3.800) 7.681 12.810 ( -7.239 1.471 -0.549) 7.407 13.208 ( -3.770 -11.995 -1.699) 12.688 14.062 ( 1.897 -3.019 5.690) 6.715 14.273 ( 3.727 4.866 -2.950) 6.802 14.671 ( -4.910 -3.674 1.164) 6.242 14.840 ( 1.655 -0.376 -8.492) 8.660 16.221 ( 1.075 2.058 1.612) 2.826 16.278 ( -4.401 1.289 6.898) 8.284 16.420 ( -0.611 -0.415 -1.675) 1.830 16.707 ( 1.965 -4.344 2.501) 5.384 16.935 ( 0.794 -0.021 -0.835) 1.152 ======================= Grid point 231 (137/226) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 3.517 -17.883 -7.714) 19.790 1.146 ( -3.625 -15.035 -3.437) 15.843 2.442 ( -1.186 -17.448 -2.031) 17.606 2.800 ( -0.347 -11.558 1.791) 11.701 4.201 ( 4.800 4.727 6.828) 9.592 4.250 ( 0.152 11.591 -0.909) 11.628 4.816 ( 0.288 11.491 -4.626) 12.391 4.904 ( 1.769 3.633 3.309) 5.223 5.096 ( -1.776 9.172 1.912) 9.536 5.244 ( 0.907 5.373 1.912) 5.775 5.533 ( -5.510 0.461 -5.442) 7.758 5.752 ( -2.779 -4.725 -0.364) 5.494 6.188 ( 1.056 2.717 1.591) 3.321 6.706 ( 1.330 -5.745 -7.313) 9.395 7.102 ( -2.585 3.196 1.284) 4.306 7.216 ( 3.489 2.973 0.029) 4.584 7.738 ( 0.697 -4.927 -1.058) 5.088 9.050 ( 0.538 -4.822 4.941) 6.925 12.530 ( 6.713 0.687 1.737) 6.968 12.725 ( -4.970 3.358 0.214) 6.002 13.033 ( -2.103 -13.327 0.056) 13.492 14.089 ( 0.253 -2.478 6.049) 6.542 14.343 ( 1.255 4.596 -3.108) 5.689 14.597 ( -0.797 -3.785 2.521) 4.617 14.808 ( 0.459 0.483 -8.237) 8.264 16.230 ( -4.088 1.256 5.116) 6.668 16.276 ( -0.587 0.729 4.210) 4.313 16.409 ( 0.280 0.496 -1.613) 1.710 16.722 ( 2.838 -4.247 2.627) 5.744 16.930 ( 0.322 -1.391 -1.628) 2.166 ======================= Grid point 232 (138/226) ======================= q-point: (-0.09 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 3.308 -17.153 -8.542) 19.446 0.994 ( 11.064 -19.634 1.177) 22.567 2.234 ( 8.788 -29.410 -1.959) 30.757 2.769 ( -0.744 0.525 1.722) 1.948 4.289 ( -2.014 7.569 1.690) 8.012 4.368 ( -2.167 11.227 -0.345) 11.439 4.812 ( -5.650 9.483 -3.967) 11.729 5.028 ( 1.747 3.496 6.478) 7.566 5.082 ( -4.695 4.458 -3.293) 7.263 5.321 ( -2.255 2.822 2.420) 4.348 5.523 ( 5.774 4.031 -1.065) 7.121 5.662 ( -1.483 -5.403 -0.812) 5.662 6.248 ( 0.704 3.362 1.881) 3.916 6.606 ( -1.749 -4.625 -6.335) 8.037 7.111 ( -0.393 2.074 1.369) 2.516 7.269 ( -0.589 2.567 -0.861) 2.771 7.685 ( 0.143 -4.502 -0.991) 4.612 9.059 ( 2.659 -4.648 3.451) 6.371 12.570 ( -1.058 1.155 -4.119) 4.407 12.765 ( 3.552 2.217 3.347) 5.361 12.911 ( 1.870 -12.612 2.381) 12.970 14.095 ( -1.275 -1.135 6.225) 6.455 14.360 ( -1.766 3.451 -2.410) 4.565 14.594 ( 2.139 -2.553 1.024) 3.485 14.779 ( 0.440 0.997 -6.395) 6.487 16.214 ( -3.107 -0.165 9.430) 9.931 16.302 ( 1.165 1.674 0.060) 2.041 16.414 ( 0.248 0.724 -0.735) 1.061 16.739 ( 2.250 -3.627 1.126) 4.414 16.903 ( -0.232 -2.177 -1.598) 2.711 ======================= Grid point 268 (139/226) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 0.000 -0.000 15.256) 15.256 0.554 ( 0.000 -0.000 15.256) 15.256 1.074 ( 0.000 -0.000 28.688) 28.688 2.865 ( -0.000 0.000 -2.609) 2.609 4.429 ( -0.000 0.000 -12.360) 12.360 4.429 ( -0.000 0.000 -12.360) 12.360 5.148 ( -0.000 0.000 -8.493) 8.493 5.383 ( 0.000 -0.000 8.156) 8.156 5.383 ( 0.000 -0.000 8.156) 8.156 5.550 ( 0.000 -0.000 3.241) 3.241 5.550 ( 0.000 -0.000 3.241) 3.241 6.440 ( 0.000 0.000 0.218) 0.218 6.440 ( -0.000 0.000 0.218) 0.218 6.539 ( 0.000 -0.000 2.693) 2.693 7.074 ( -0.000 0.000 -3.644) 3.644 7.489 ( 0.000 -0.000 2.868) 2.868 7.514 ( -0.000 0.000 -1.243) 1.243 7.514 ( -0.000 0.000 -1.243) 1.243 12.538 ( 0.000 0.000 -0.581) 0.581 12.538 ( -0.000 0.000 -0.581) 0.581 12.842 ( -0.000 0.000 -0.906) 0.906 12.842 ( -0.000 0.000 -0.906) 0.906 14.597 ( 0.000 -0.000 3.614) 3.614 14.597 ( 0.000 -0.000 3.614) 3.614 14.757 ( -0.000 0.000 -1.425) 1.425 16.082 ( 0.000 -0.000 1.467) 1.467 16.315 ( -0.000 0.000 -1.072) 1.072 16.315 ( -0.000 0.000 -1.072) 1.072 16.453 ( -0.000 0.000 -0.007) 0.007 16.848 ( 0.000 -0.000 0.958) 0.958 ======================= Grid point 269 (140/226) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -2.115 16.425 12.346) 20.656 0.995 ( 20.374 2.311 14.241) 24.965 1.345 ( 16.122 8.142 18.880) 26.128 2.824 ( -2.360 -1.082 -2.513) 3.613 4.246 ( -5.647 -3.669 -10.381) 12.374 4.424 ( 2.200 -0.184 -11.823) 12.027 4.991 ( -6.421 -6.382 -5.954) 10.835 5.270 ( -11.626 -8.041 6.126) 15.406 5.389 ( -4.768 -2.442 4.988) 7.320 5.530 ( -1.496 3.869 3.307) 5.305 5.692 ( 4.423 4.508 5.177) 8.167 6.102 ( -19.789 -8.665 15.862) 26.801 6.391 ( -0.877 -2.090 0.685) 2.368 6.508 ( 1.695 0.292 1.901) 2.564 7.050 ( 0.506 0.444 -2.497) 2.586 7.320 ( -2.930 -2.951 -2.721) 4.969 7.499 ( 1.813 -1.026 -1.720) 2.702 8.292 ( 31.744 18.434 -13.063) 38.963 12.493 ( 1.202 -6.003 -1.368) 6.273 12.666 ( 5.589 9.224 1.535) 10.894 12.837 ( -3.094 4.287 -1.120) 5.404 13.159 ( 25.995 9.616 -14.065) 31.081 14.511 ( -5.015 -3.735 2.232) 6.640 14.656 ( 0.013 3.238 3.407) 4.700 14.854 ( 8.146 1.749 1.066) 8.400 16.019 ( -5.809 0.065 -2.486) 6.318 16.320 ( 0.024 1.055 -1.082) 1.512 16.382 ( 5.899 0.641 -1.453) 6.109 16.460 ( 0.984 0.242 -0.322) 1.063 16.872 ( 1.527 0.717 1.162) 2.048 ======================= Grid point 270 (141/226) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 4.039 14.738 8.479) 17.476 1.292 ( 7.727 0.887 16.311) 18.071 1.937 ( 29.430 14.795 4.589) 33.257 2.747 ( -3.966 -1.180 -2.164) 4.670 4.081 ( -3.359 -4.943 -6.544) 8.862 4.367 ( 0.312 -2.722 -10.214) 10.575 4.829 ( -4.618 -5.005 -2.342) 7.201 4.993 ( -12.645 -10.313 2.515) 16.510 5.282 ( -8.000 -2.515 3.361) 9.035 5.555 ( -4.115 5.929 3.885) 8.196 5.790 ( -0.306 4.689 1.636) 4.976 5.939 ( -6.980 -2.520 10.858) 13.152 6.406 ( 3.112 -1.535 3.029) 4.605 6.517 ( -1.004 -2.446 2.823) 3.868 7.044 ( -1.301 1.731 -2.280) 3.144 7.226 ( -2.555 -4.194 -2.774) 5.640 7.540 ( 5.147 -0.296 -1.602) 5.399 8.718 ( 16.296 9.186 -8.863) 20.700 12.451 ( 2.871 -7.747 -1.791) 8.454 12.805 ( -5.142 4.594 -1.247) 7.007 12.893 ( 8.544 11.270 3.185) 14.497 13.507 ( 17.968 5.225 -14.028) 23.386 14.412 ( -4.681 -2.804 1.399) 5.633 14.696 ( -0.792 3.185 2.477) 4.112 15.020 ( 8.209 0.040 5.410) 9.832 15.913 ( -4.775 2.201 -6.487) 8.351 16.324 ( -0.056 1.487 -1.384) 2.032 16.433 ( 1.133 0.090 -0.371) 1.195 16.502 ( 4.698 -0.342 -2.682) 5.420 16.911 ( 1.278 0.544 1.514) 2.054 ======================= Grid point 271 (142/226) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 8.327 11.565 5.375) 15.231 1.501 ( 7.261 1.714 10.618) 12.977 2.474 ( 11.777 5.873 2.582) 13.411 2.702 ( 6.715 6.841 -3.856) 10.333 3.984 ( 1.253 -6.141 -3.323) 7.094 4.271 ( -1.766 -4.042 -8.104) 9.227 4.605 ( -14.528 -7.906 2.732) 16.763 4.842 ( 0.777 -2.583 -1.459) 3.066 5.141 ( -6.471 -3.680 0.448) 7.458 5.548 ( -6.595 6.343 4.182) 10.061 5.783 ( -5.924 4.174 -2.248) 7.587 5.894 ( -2.809 -1.675 6.640) 7.401 6.436 ( 1.361 -7.960 0.069) 8.076 6.509 ( 0.365 1.751 7.551) 7.760 7.010 ( -4.045 3.293 -2.344) 5.718 7.139 ( -1.008 -5.043 -1.270) 5.297 7.633 ( 6.944 -0.068 -0.714) 6.981 8.955 ( 10.188 5.947 -5.504) 13.017 12.425 ( 4.742 -8.587 -1.952) 10.002 12.746 ( -6.842 5.393 -1.339) 8.814 13.169 ( 9.940 10.447 3.532) 14.846 13.704 ( 10.775 2.252 -8.238) 13.749 14.318 ( -4.906 -2.312 0.871) 5.493 14.723 ( -0.487 2.256 1.882) 2.978 15.151 ( 3.056 -2.087 8.854) 9.596 15.854 ( -0.130 3.899 -8.309) 9.179 16.329 ( -0.127 1.869 -1.928) 2.689 16.447 ( 0.848 0.176 0.166) 0.882 16.551 ( 4.094 -0.417 -3.876) 5.653 16.938 ( 0.560 0.091 1.741) 1.831 ======================= Grid point 272 (143/226) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 9.416 8.942 2.616) 13.246 1.671 ( 6.381 1.014 5.684) 8.605 2.401 ( -9.743 -5.132 1.378) 11.098 3.087 ( 18.068 13.224 -1.296) 22.428 3.938 ( 0.176 -6.123 -1.986) 6.440 4.140 ( -3.515 -5.417 -5.869) 8.726 4.394 ( -4.412 -0.952 0.575) 4.550 4.861 ( 2.653 -0.842 0.680) 2.865 5.025 ( -2.243 -5.168 -1.890) 5.942 5.505 ( -10.358 6.033 5.557) 13.212 5.643 ( -9.682 0.331 -6.337) 11.576 5.883 ( -1.150 -0.666 3.895) 4.116 6.357 ( -1.140 -5.664 -1.924) 6.089 6.601 ( 2.909 -0.120 9.553) 9.987 6.955 ( -5.189 4.718 -2.940) 7.605 7.095 ( 1.249 -4.515 1.183) 4.832 7.739 ( 6.028 -0.366 0.248) 6.044 9.106 ( 6.268 3.878 -4.083) 8.426 12.424 ( 6.483 -8.482 -1.944) 10.851 12.678 ( -7.298 6.405 -1.012) 9.763 13.428 ( 9.286 6.948 2.377) 11.839 13.820 ( 5.157 2.098 -2.624) 6.154 14.221 ( -4.602 -2.301 0.220) 5.150 14.743 ( -0.032 0.886 1.458) 1.707 15.158 ( -4.228 -3.725 6.951) 8.948 15.897 ( 4.881 4.272 -4.880) 8.117 16.332 ( -0.255 2.113 -2.658) 3.406 16.459 ( 0.639 -1.087 0.257) 1.287 16.597 ( 4.009 1.910 -3.611) 5.723 16.951 ( 0.185 -0.651 1.703) 1.833 ======================= Grid point 273 (144/226) ======================= q-point: (-0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 3.017 1.865 0.382) 3.567 1.792 ( 3.063 0.351 1.987) 3.668 2.202 ( -7.371 -3.772 2.840) 8.753 3.393 ( 6.772 3.895 0.797) 7.852 3.893 ( 1.313 5.141 0.351) 5.318 4.034 ( -0.904 -4.445 -2.307) 5.089 4.439 ( 7.569 2.240 -4.427) 9.050 4.899 ( 1.791 -1.428 2.080) 3.094 4.935 ( 0.347 -9.654 -3.089) 10.142 5.303 ( -16.704 0.804 -2.092) 16.853 5.530 ( -4.841 5.093 -1.546) 7.194 5.882 ( -0.595 0.069 1.253) 1.389 6.280 ( -1.951 -3.266 -1.886) 4.246 6.695 ( 2.498 -1.781 10.049) 10.507 6.914 ( -3.234 5.625 -2.850) 7.087 7.104 ( 2.453 -2.767 2.522) 4.475 7.814 ( 3.494 -1.050 0.961) 3.773 9.185 ( 2.833 1.854 -3.632) 4.965 12.454 ( 7.783 -7.773 -2.007) 11.181 12.626 ( -6.469 7.438 -0.288) 9.862 13.586 ( 3.504 0.038 -0.297) 3.517 13.897 ( 1.543 4.748 2.617) 5.637 14.150 ( -0.968 -1.619 -0.294) 1.909 14.752 ( 0.044 -0.570 1.018) 1.168 15.046 ( -7.772 -4.020 2.958) 9.237 16.007 ( 5.592 3.144 -0.556) 6.439 16.329 ( -0.421 2.236 -3.540) 4.209 16.446 ( -0.433 -1.821 -0.079) 1.874 16.679 ( 4.317 3.706 -1.793) 5.965 16.951 ( 0.077 -1.610 1.426) 2.152 ======================= Grid point 274 (145/226) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -4.144 -3.984 -0.543) 5.774 1.663 ( -12.955 -8.942 1.574) 15.820 2.250 ( 7.031 5.464 2.621) 9.282 3.386 ( -4.723 -3.207 0.339) 5.719 4.002 ( 0.848 0.691 -1.297) 1.696 4.137 ( 11.679 13.273 5.646) 18.559 4.493 ( -2.674 -6.091 -4.477) 8.018 4.783 ( 2.319 -9.221 -3.965) 10.302 4.937 ( 4.077 -2.609 -1.071) 4.957 5.135 ( -3.919 5.445 -5.459) 8.649 5.510 ( -4.454 6.205 1.059) 7.711 5.873 ( -1.469 0.852 -0.849) 1.899 6.212 ( -1.759 -2.752 -1.049) 3.431 6.750 ( -0.466 -2.072 9.454) 9.690 6.936 ( 1.073 5.630 -1.738) 5.989 7.141 ( 2.770 -1.909 2.330) 4.092 7.839 ( 0.425 -1.873 1.383) 2.367 9.194 ( -0.119 -0.062 -3.542) 3.544 12.499 ( 7.666 -7.519 -2.302) 10.982 12.612 ( -4.283 8.661 0.557) 9.679 13.514 ( -7.188 -5.424 -1.355) 9.106 14.007 ( 2.982 5.482 3.781) 7.296 14.165 ( 3.206 -0.088 0.475) 3.242 14.745 ( -0.115 -1.461 0.110) 1.470 14.889 ( -8.153 -3.496 1.551) 9.005 16.115 ( 4.415 2.064 0.835) 4.945 16.320 ( -0.665 2.429 -4.551) 5.201 16.419 ( -0.934 -1.271 0.157) 1.585 16.764 ( 2.584 2.539 -0.380) 3.643 16.942 ( 0.184 -2.099 1.063) 2.360 ======================= Grid point 275 (146/226) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -15.185 -12.239 4.158) 19.942 1.391 ( -10.436 -5.204 -0.002) 11.661 2.431 ( 5.935 5.370 1.329) 8.113 3.188 ( -15.707 -8.453 0.078) 17.837 4.068 ( 5.035 4.951 -0.461) 7.077 4.251 ( -4.523 -8.454 -3.397) 10.172 4.512 ( 13.409 9.907 6.559) 17.915 4.837 ( 7.177 0.026 -4.835) 8.654 4.985 ( 6.025 -1.018 -3.517) 7.050 5.158 ( 3.229 4.385 -4.172) 6.860 5.510 ( -3.743 5.806 2.725) 7.426 5.832 ( -3.929 0.779 -1.335) 4.222 6.172 ( 0.441 -1.657 -0.928) 1.950 6.751 ( -2.940 -2.552 8.641) 9.477 7.019 ( 3.315 5.264 -1.301) 6.355 7.178 ( 2.802 -2.199 1.418) 3.834 7.810 ( -2.314 -2.590 1.440) 3.760 9.144 ( -2.289 -1.608 -3.720) 4.655 12.524 ( 4.922 -6.082 -1.969) 8.068 12.657 ( -0.392 7.615 0.318) 7.632 13.290 ( -11.764 -6.313 -0.854) 13.378 14.100 ( 1.408 2.547 0.638) 2.979 14.241 ( 4.690 0.795 1.932) 5.134 14.699 ( -3.582 -1.953 -4.117) 5.796 14.783 ( -2.841 -1.566 6.571) 7.328 16.195 ( 2.906 1.694 -0.136) 3.366 16.301 ( -1.130 2.779 -5.735) 6.473 16.402 ( -0.397 -0.584 1.057) 1.271 16.785 ( -0.444 -1.386 -0.881) 1.701 16.936 ( 0.152 -1.104 1.265) 1.686 ======================= Grid point 280 (147/226) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 16.323 7.818 12.006) 21.719 1.052 ( -11.157 22.423 11.543) 27.577 1.443 ( -0.264 10.499 19.740) 22.360 2.809 ( 0.270 -2.440 -2.618) 3.589 4.185 ( -0.603 -6.293 -10.116) 11.929 4.354 ( -0.823 1.291 -11.056) 11.161 4.962 ( -1.896 -6.673 -6.330) 9.391 5.322 ( -2.057 -12.172 5.867) 13.667 5.447 ( -1.095 -3.692 3.529) 5.223 5.544 ( 5.817 -0.637 2.920) 6.540 5.666 ( 1.882 0.732 6.192) 6.513 6.172 ( 2.230 -22.267 12.949) 25.854 6.337 ( -1.604 -5.473 0.647) 5.739 6.575 ( -0.557 7.530 1.852) 7.775 7.042 ( 0.182 1.700 -2.423) 2.965 7.304 ( -1.280 -4.074 -2.838) 5.128 7.548 ( -1.681 3.758 -1.433) 4.359 8.191 ( 0.292 34.147 -10.702) 35.786 12.498 ( -7.124 -0.966 -0.909) 7.246 12.659 ( 7.090 8.522 1.302) 11.162 12.798 ( 4.693 -1.986 -1.836) 5.416 13.118 ( -4.693 25.105 -10.398) 27.576 14.564 ( -4.578 -4.593 1.355) 6.626 14.609 ( 6.634 -2.275 3.723) 7.941 14.881 ( -2.437 9.905 1.716) 10.343 16.020 ( 2.547 -5.402 -1.570) 6.175 16.283 ( -0.084 -1.268 -1.259) 1.789 16.391 ( -1.227 5.320 -0.953) 5.542 16.463 ( -0.234 1.611 -0.381) 1.672 16.882 ( -0.111 2.245 1.009) 2.463 ======================= Grid point 281 (148/226) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 1.540 12.308 6.630) 14.065 1.248 ( 6.788 7.595 15.691) 18.708 1.781 ( 14.052 22.421 8.019) 27.649 2.763 ( -1.413 -2.419 -2.061) 3.478 4.038 ( -2.946 -6.399 -7.555) 10.330 4.283 ( -0.532 -2.592 -8.702) 9.095 4.829 ( -3.099 -3.167 -3.806) 5.842 5.102 ( -10.878 -13.868 3.855) 18.042 5.356 ( -4.960 -7.372 1.788) 9.064 5.646 ( 1.437 3.928 2.425) 4.835 5.776 ( 6.093 -2.060 4.979) 8.134 6.037 ( -4.512 -11.282 8.463) 14.808 6.314 ( 3.089 -4.603 2.962) 6.285 6.616 ( -4.192 6.380 2.623) 8.072 7.070 ( 1.123 3.760 -1.105) 4.077 7.205 ( -2.608 -5.029 -3.609) 6.717 7.523 ( -3.123 4.460 -1.613) 5.679 8.536 ( 13.482 17.788 -8.645) 23.936 12.388 ( -3.253 -3.636 -1.328) 5.056 12.861 ( 3.748 -0.576 -0.376) 3.811 12.885 ( 7.212 10.180 3.756) 13.029 13.292 ( 7.576 19.655 -14.481) 25.562 14.461 ( -4.100 -3.558 0.929) 5.507 14.707 ( 4.250 -1.536 3.444) 5.682 14.973 ( 2.159 7.600 3.690) 8.720 15.958 ( -2.760 -2.006 -5.392) 6.381 16.288 ( 2.675 -1.911 -1.294) 3.533 16.418 ( 0.249 2.521 -0.323) 2.553 16.476 ( 0.096 2.468 -0.829) 2.606 16.914 ( 0.577 2.016 1.144) 2.389 ======================= Grid point 282 (149/226) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 0.123 16.327 4.320) 16.890 1.473 ( 6.478 1.426 12.353) 14.021 2.314 ( 19.362 20.345 1.789) 28.142 2.699 ( -2.027 -0.954 -2.316) 3.222 3.905 ( -1.499 -6.805 -3.725) 7.901 4.194 ( -0.412 -4.975 -6.667) 8.329 4.757 ( -7.879 -4.384 2.209) 9.283 4.826 ( -5.301 -6.014 -0.607) 8.040 5.176 ( -6.321 -11.140 -0.623) 12.823 5.679 ( -2.312 3.132 1.109) 4.048 5.854 ( 1.001 1.226 -0.575) 1.684 5.934 ( -1.902 -7.612 6.895) 10.445 6.359 ( 3.140 -3.129 3.784) 5.828 6.594 ( -5.319 3.053 3.773) 7.200 7.100 ( -1.549 -5.248 -2.955) 6.219 7.114 ( -2.178 5.959 0.517) 6.365 7.537 ( 2.598 1.653 -1.363) 3.367 8.821 ( 11.038 9.914 -5.727) 15.903 12.310 ( -0.204 -5.292 -1.241) 5.439 12.877 ( -2.677 3.436 -0.118) 4.357 13.126 ( 8.532 8.778 2.793) 12.556 13.522 ( 10.735 11.516 -9.787) 18.538 14.370 ( -3.999 -3.209 0.688) 5.174 14.751 ( 0.669 0.044 1.546) 1.685 15.121 ( 4.652 2.939 7.982) 9.695 15.864 ( -2.609 1.505 -8.414) 8.937 16.304 ( 2.293 -1.343 -2.007) 3.330 16.438 ( 0.428 0.887 0.107) 0.991 16.505 ( 1.187 2.774 -1.506) 3.372 16.943 ( 0.287 0.852 1.293) 1.575 ======================= Grid point 283 (150/226) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 3.020 17.067 2.324) 17.487 1.635 ( 4.650 2.413 6.774) 8.563 2.501 ( -6.568 -3.589 1.767) 7.690 2.899 ( 18.765 14.990 -2.738) 24.173 3.829 ( 1.844 -7.055 -1.188) 7.388 4.104 ( -1.434 -5.150 -4.132) 6.757 4.505 ( -10.825 -5.662 1.077) 12.264 4.839 ( 1.660 2.494 0.592) 3.054 4.969 ( -3.121 -13.324 -2.248) 13.868 5.655 ( -2.803 0.951 -1.775) 3.451 5.774 ( -7.906 -0.374 -3.044) 8.480 5.930 ( -0.942 -0.580 5.071) 5.191 6.355 ( -3.144 -0.592 1.509) 3.538 6.594 ( 1.564 -2.009 7.052) 7.497 7.019 ( -0.823 -4.141 -2.797) 5.064 7.123 ( -4.910 6.892 2.462) 8.813 7.616 ( 6.887 -1.048 -0.656) 6.997 9.019 ( 7.494 6.383 -4.034) 10.638 12.271 ( 2.646 -5.804 -0.941) 6.447 12.849 ( -6.001 6.595 -0.627) 8.938 13.344 ( 9.077 4.984 0.324) 10.360 13.733 ( 8.315 7.818 -2.430) 11.669 14.273 ( -4.569 -3.611 0.542) 5.849 14.758 ( -0.285 0.382 -0.032) 0.478 15.214 ( -1.021 -2.382 9.415) 9.765 15.843 ( 2.762 4.995 -7.928) 9.769 16.313 ( 1.606 -0.782 -2.674) 3.216 16.451 ( 0.124 0.488 0.538) 0.737 16.553 ( 2.582 3.656 -2.118) 4.951 16.952 ( -0.176 -0.653 1.356) 1.515 ======================= Grid point 284 (151/226) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -0.983 13.652 -0.464) 13.695 1.763 ( 4.897 4.616 4.092) 7.876 2.315 ( -9.989 -5.914 1.859) 11.756 3.275 ( 13.598 6.372 -0.030) 15.017 3.824 ( 5.754 -5.421 -0.901) 7.956 4.003 ( -3.348 -2.741 0.283) 4.337 4.390 ( 0.273 1.225 -2.950) 3.206 4.789 ( 0.747 -13.379 -3.566) 13.866 4.910 ( 0.441 2.036 2.296) 3.101 5.502 ( -11.238 -3.972 -10.141) 15.650 5.664 ( -6.070 4.753 2.428) 8.083 5.925 ( -2.581 1.277 3.085) 4.220 6.302 ( -3.592 0.615 0.090) 3.645 6.660 ( 4.233 -4.949 8.820) 10.964 6.965 ( -0.452 -1.216 -3.158) 3.414 7.128 ( -3.578 5.450 3.875) 7.584 7.711 ( 6.809 -2.618 -0.129) 7.296 9.138 ( 3.846 4.047 -3.362) 6.517 12.275 ( 4.961 -5.519 -0.936) 7.480 12.809 ( -6.888 8.470 -0.789) 10.946 13.504 ( 6.808 1.374 -1.220) 7.051 13.905 ( 4.984 5.763 2.345) 7.972 14.168 ( -3.851 -3.901 0.590) 5.513 14.753 ( -0.365 0.115 -0.751) 0.843 15.149 ( -6.936 -4.710 5.321) 9.930 15.942 ( 6.035 5.137 -2.801) 8.406 16.312 ( 1.088 -0.487 -3.192) 3.407 16.454 ( -0.821 0.522 0.591) 1.138 16.637 ( 4.189 4.769 -1.964) 6.644 16.942 ( -0.344 -2.188 1.298) 2.567 ======================= Grid point 285 (152/226) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -6.714 5.929 -0.806) 8.993 1.814 ( -10.002 0.703 1.841) 10.195 2.216 ( 3.126 1.562 3.038) 4.630 3.397 ( 0.416 -2.721 0.251) 2.764 3.858 ( 6.665 -8.635 -1.460) 11.005 4.084 ( 9.867 5.653 5.352) 12.568 4.461 ( 5.392 4.994 -5.249) 9.031 4.659 ( -0.811 -10.050 -4.638) 11.099 4.925 ( -2.241 0.966 2.250) 3.320 5.220 ( -9.586 -1.733 -9.477) 13.591 5.644 ( -4.106 5.005 1.887) 6.743 5.913 ( -2.301 1.972 1.168) 3.247 6.247 ( -4.037 0.630 0.063) 4.086 6.724 ( 4.133 -7.100 8.946) 12.146 6.953 ( 0.969 1.713 -3.147) 3.712 7.150 ( -1.864 3.662 3.756) 5.568 7.775 ( 4.521 -3.654 0.069) 5.814 9.182 ( 0.402 2.251 -3.215) 3.945 12.311 ( 6.225 -5.043 -1.635) 8.176 12.782 ( -6.031 9.263 -0.320) 11.058 13.544 ( -1.447 -2.066 -1.459) 2.914 14.025 ( 2.738 2.837 3.896) 5.543 14.118 ( 1.424 -2.010 0.705) 2.562 14.743 ( -0.554 0.262 -0.451) 0.761 14.999 ( -8.251 -4.521 2.645) 9.773 16.068 ( 5.020 3.568 -0.067) 6.159 16.304 ( 0.728 -0.037 -3.760) 3.830 16.443 ( -1.603 0.926 0.422) 1.899 16.737 ( 3.547 3.744 -1.302) 5.319 16.919 ( 0.093 -2.988 1.008) 3.155 ======================= Grid point 286 (153/226) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -13.384 -5.214 2.407) 14.564 1.573 ( -15.471 4.239 1.619) 16.123 2.378 ( 7.513 4.922 1.896) 9.180 3.305 ( -7.162 -6.353 0.682) 9.598 3.901 ( 9.191 -7.528 -1.897) 12.031 4.273 ( 2.658 -8.338 -4.197) 9.705 4.459 ( -1.261 8.613 3.951) 9.560 4.696 ( 10.278 8.015 -5.295) 14.068 4.913 ( 0.863 -0.581 0.052) 1.042 5.119 ( 1.582 0.400 -4.189) 4.495 5.643 ( -3.367 5.289 2.320) 6.685 5.892 ( -3.072 1.664 -0.246) 3.502 6.193 ( -3.434 1.178 0.687) 3.695 6.753 ( 2.342 -8.712 8.094) 12.120 6.994 ( 3.445 2.875 -2.893) 5.339 7.170 ( -1.361 2.102 2.472) 3.518 7.787 ( 1.535 -4.450 -0.028) 4.707 9.161 ( -2.516 1.064 -3.395) 4.357 12.355 ( 6.106 -4.697 -2.854) 8.215 12.785 ( -4.172 8.788 0.334) 9.734 13.415 ( -9.272 -3.768 -0.141) 10.009 14.092 ( 1.628 -0.182 0.592) 1.742 14.170 ( 5.160 -0.754 1.842) 5.531 14.731 ( -2.310 1.790 -0.797) 3.029 14.858 ( -5.399 -3.851 4.493) 8.010 16.165 ( 3.419 2.375 0.085) 4.164 16.293 ( 0.307 1.174 -5.022) 5.167 16.427 ( -1.673 0.933 0.736) 2.053 16.772 ( -0.431 -1.022 -1.379) 1.770 16.918 ( 1.549 -1.026 0.712) 1.990 ======================= Grid point 291 (154/226) ======================= q-point: ( 0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -1.910 10.229 9.994) 14.428 1.383 ( -3.399 5.522 16.951) 18.149 1.813 ( -15.201 24.408 5.193) 29.219 2.746 ( 2.117 -3.625 -2.171) 4.726 4.085 ( 0.909 -2.985 -6.598) 7.298 4.315 ( -0.852 -0.157 -10.999) 11.033 4.881 ( 2.407 -1.320 -4.698) 5.441 5.174 ( 10.499 -11.075 4.754) 15.984 5.327 ( 7.477 -9.569 2.663) 12.432 5.480 ( -1.050 -6.794 4.534) 8.236 5.709 ( -2.147 -1.568 2.138) 3.412 6.004 ( 4.282 -12.006 10.114) 16.272 6.367 ( -5.023 -3.049 4.097) 7.163 6.645 ( 3.375 8.721 1.494) 9.470 7.030 ( 1.285 0.262 -2.465) 2.792 7.267 ( 1.134 -0.668 -2.413) 2.748 7.563 ( 1.067 4.927 -1.783) 5.347 8.539 ( -13.563 18.544 -9.145) 24.728 12.620 ( 6.446 7.429 -1.198) 9.908 12.665 ( -10.519 1.149 -0.807) 10.612 12.739 ( -2.213 -3.004 0.611) 3.781 13.410 ( -9.499 20.984 -11.123) 25.579 14.481 ( 5.877 -3.452 1.682) 7.020 14.619 ( -4.211 -3.150 1.649) 5.512 15.057 ( -4.586 9.910 4.413) 11.778 15.882 ( 4.612 -5.888 -2.882) 8.015 16.280 ( -1.470 -1.637 -1.309) 2.560 16.431 ( -0.367 0.897 -0.217) 0.993 16.505 ( -1.557 5.238 -2.598) 6.050 16.917 ( -0.644 2.148 1.012) 2.460 ======================= Grid point 292 (155/226) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 9.417 8.994 7.063) 14.814 1.464 ( -4.056 5.369 14.995) 16.436 1.967 ( -0.885 30.516 3.035) 30.680 2.726 ( 0.988 -3.695 -1.693) 4.183 3.994 ( -2.901 -3.920 -5.810) 7.585 4.230 ( -1.299 -2.714 -8.288) 8.817 4.835 ( -2.455 -0.351 -3.876) 4.601 5.097 ( -3.424 -17.135 3.514) 17.824 5.327 ( -0.704 -9.883 -0.809) 9.941 5.530 ( 12.055 -6.762 6.201) 15.149 5.730 ( 1.263 0.680 3.071) 3.389 5.980 ( 1.212 -12.091 6.582) 13.819 6.291 ( -2.249 -2.826 4.133) 5.488 6.756 ( -1.507 8.981 1.587) 9.243 7.057 ( 2.849 0.915 -1.141) 3.202 7.198 ( -4.628 -2.886 -3.295) 6.372 7.619 ( -0.686 5.704 -1.836) 6.031 8.559 ( -0.429 18.540 -7.045) 19.838 12.473 ( -9.683 -0.902 -0.526) 9.740 12.724 ( 6.224 -2.524 -2.944) 7.333 12.880 ( 8.154 11.507 3.639) 14.565 13.434 ( -5.271 21.747 -10.429) 24.687 14.481 ( -2.139 -4.666 -0.380) 5.147 14.615 ( 5.098 -1.733 3.719) 6.544 15.107 ( -3.636 9.808 5.057) 11.619 15.881 ( 3.451 -5.209 -4.795) 7.876 16.244 ( -0.069 -1.519 -0.715) 1.681 16.435 ( -0.042 0.860 -0.085) 0.865 16.514 ( -1.300 4.584 -2.215) 5.254 16.939 ( -0.123 2.352 0.776) 2.480 ======================= Grid point 293 (156/226) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 10.424 8.256 2.671) 13.563 1.536 ( -1.853 4.501 12.499) 13.413 2.334 ( 7.852 30.012 0.125) 31.022 2.688 ( -0.340 -3.439 -1.629) 3.820 3.875 ( -3.759 -4.149 -2.816) 6.266 4.131 ( -1.397 -4.781 -5.438) 7.375 4.800 ( -0.722 2.346 -1.228) 2.745 4.865 ( -7.396 -15.168 2.781) 17.103 5.146 ( -6.403 -13.654 -2.259) 15.249 5.703 ( 7.467 -1.600 2.478) 8.028 5.748 ( 3.300 -4.649 2.257) 6.131 5.908 ( -1.117 -8.541 3.651) 9.355 6.307 ( 3.170 -1.790 4.868) 6.079 6.772 ( -7.179 7.247 1.133) 10.264 7.060 ( -2.098 -5.897 -3.308) 7.079 7.142 ( 3.269 3.662 0.286) 4.917 7.612 ( -5.599 6.340 -1.027) 8.521 8.740 ( 7.451 12.280 -4.634) 15.092 12.327 ( -6.422 -2.055 0.055) 6.743 12.815 ( 8.664 -2.314 -1.876) 9.161 13.126 ( 5.556 10.696 3.306) 12.498 13.527 ( 0.262 19.027 -8.476) 20.832 14.393 ( -2.975 -4.351 -0.197) 5.275 14.703 ( 4.685 -1.807 2.014) 5.410 15.189 ( -0.887 7.533 8.119) 11.111 15.835 ( 0.377 -2.013 -8.616) 8.856 16.242 ( 1.792 -1.766 -0.344) 2.539 16.444 ( 0.225 0.818 0.059) 0.851 16.526 ( -0.595 4.027 -1.986) 4.529 16.959 ( -0.207 1.330 0.823) 1.578 ======================= Grid point 294 (157/226) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 7.182 13.652 0.238) 15.428 1.640 ( 2.295 3.981 8.556) 9.712 2.572 ( -4.092 -1.704 0.982) 4.540 2.779 ( 11.841 19.241 -3.745) 22.901 3.773 ( -2.543 -4.557 0.062) 5.219 4.051 ( -0.098 -4.450 -2.219) 4.974 4.620 ( -9.417 -9.425 2.132) 13.492 4.842 ( -0.482 -1.967 -0.871) 2.204 4.877 ( -3.847 -11.025 -2.274) 11.896 5.667 ( -2.870 -2.974 -3.989) 5.744 5.819 ( -1.148 -0.974 -2.582) 2.989 5.883 ( 7.144 -6.940 7.463) 12.445 6.387 ( 3.569 -0.523 5.227) 6.351 6.676 ( -9.550 2.332 0.829) 9.866 6.972 ( -0.864 -4.003 -2.704) 4.908 7.244 ( 2.265 5.102 2.169) 5.989 7.571 ( -3.519 3.250 -0.549) 4.822 8.941 ( 7.774 7.999 -2.945) 11.537 12.231 ( -2.830 -2.607 0.577) 3.891 12.914 ( 4.632 0.615 -0.438) 4.693 13.284 ( 3.106 8.599 -1.310) 9.236 13.701 ( 5.501 12.925 -1.952) 14.182 14.299 ( -3.334 -5.024 -0.103) 6.030 14.746 ( 1.699 -0.660 -0.247) 1.840 15.278 ( -1.334 0.665 10.698) 10.801 15.797 ( 2.050 3.762 -10.008) 10.887 16.256 ( 2.073 -1.766 -0.832) 2.848 16.459 ( 0.410 0.863 0.427) 1.047 16.553 ( 0.774 4.355 -2.119) 4.905 16.962 ( -0.749 -0.304 0.998) 1.284 ======================= Grid point 295 (158/226) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 1.847 5.414 2.687) 6.319 1.800 ( 4.813 16.256 1.679) 17.037 2.425 ( -8.918 -5.380 0.093) 10.415 3.116 ( 12.703 9.895 -1.366) 16.159 3.718 ( 0.675 -4.114 0.753) 4.237 4.016 ( -0.286 -3.477 2.073) 4.058 4.422 ( -7.107 -2.415 -1.818) 7.724 4.621 ( 0.024 -15.814 -3.852) 16.277 4.940 ( 1.603 4.019 2.573) 5.035 5.529 ( -5.648 -4.935 -8.576) 11.393 5.767 ( -2.890 0.745 -0.940) 3.129 5.962 ( 3.015 -2.231 3.536) 5.155 6.424 ( -5.393 3.499 3.565) 7.351 6.589 ( 0.848 -5.319 4.237) 6.853 6.918 ( 0.137 -2.946 -2.609) 3.938 7.304 ( -4.768 7.974 3.723) 10.009 7.578 ( 4.407 -2.007 -0.968) 4.938 9.095 ( 5.112 5.387 -2.118) 7.723 12.192 ( 0.380 -2.472 0.707) 2.599 12.960 ( -1.900 5.252 -0.386) 5.598 13.404 ( 5.614 4.957 -2.637) 7.940 13.888 ( 5.437 6.959 1.858) 9.024 14.189 ( -3.755 -5.892 0.096) 6.988 14.754 ( 0.139 0.490 -0.829) 0.973 15.241 ( -6.039 -4.918 5.830) 9.729 15.878 ( 5.957 6.662 -4.558) 10.032 16.264 ( 1.640 -1.455 -1.506) 2.660 16.474 ( -0.059 0.798 0.661) 1.038 16.615 ( 2.820 5.387 -2.218) 6.473 16.941 ( -1.211 -2.006 1.220) 2.642 ======================= Grid point 296 (159/226) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -3.952 5.233 0.523) 6.578 2.017 ( -1.136 15.868 1.356) 15.966 2.222 ( -6.249 -5.722 1.024) 8.534 3.320 ( 6.625 -0.580 0.327) 6.658 3.711 ( 2.132 -5.504 0.942) 5.977 3.988 ( 3.323 -7.285 1.896) 8.229 4.380 ( 3.909 2.654 -4.484) 6.514 4.559 ( 4.144 -1.402 -0.640) 4.422 4.992 ( -1.075 2.331 3.019) 3.963 5.294 ( -10.188 -4.718 -11.026) 15.736 5.734 ( -2.305 2.127 -0.753) 3.225 5.981 ( -1.156 0.329 1.983) 2.319 6.360 ( -6.974 3.634 2.039) 8.124 6.613 ( 4.749 -9.161 6.715) 12.311 6.901 ( 2.444 -1.677 -2.723) 4.025 7.298 ( -6.617 6.756 4.104) 10.309 7.642 ( 6.641 -3.547 -1.386) 7.655 9.181 ( 1.686 3.633 -1.905) 4.435 12.199 ( 2.631 -2.088 -0.045) 3.360 12.958 ( -5.057 7.629 -0.641) 9.175 13.510 ( 3.639 2.191 -1.583) 4.533 14.011 ( 3.121 0.407 2.466) 3.998 14.092 ( -1.106 -3.817 0.325) 3.987 14.759 ( -0.271 1.192 0.815) 1.469 15.096 ( -7.708 -5.052 1.269) 9.303 16.017 ( 5.634 4.651 -0.624) 7.333 16.265 ( 1.206 -0.803 -2.247) 2.674 16.477 ( -0.886 0.976 0.431) 1.387 16.710 ( 3.629 5.029 -1.856) 6.474 16.903 ( -1.098 -3.176 1.236) 3.580 ======================= Grid point 297 (160/226) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -10.696 0.146 1.545) 10.808 1.914 ( -16.720 7.097 1.144) 18.200 2.304 ( 7.907 3.972 1.669) 9.004 3.325 ( -2.077 -4.958 0.154) 5.378 3.702 ( 4.902 -7.438 1.424) 9.021 4.030 ( 10.555 -10.090 -2.542) 14.822 4.503 ( 8.326 6.119 -5.697) 11.800 4.685 ( 1.373 11.549 1.364) 11.710 4.951 ( -6.847 -0.854 0.026) 6.901 5.086 ( -1.002 -1.425 -3.139) 3.590 5.722 ( -1.377 2.556 -0.621) 2.969 5.961 ( -2.774 0.631 0.748) 2.941 6.303 ( -5.822 3.844 2.150) 7.300 6.629 ( 4.786 -11.630 5.949) 13.912 6.930 ( 3.887 -0.446 -2.240) 4.508 7.273 ( -5.149 3.899 3.279) 7.244 7.691 ( 4.322 -3.547 -1.879) 5.899 9.198 ( -1.550 2.618 -2.066) 3.678 12.230 ( 3.692 -1.747 -1.628) 4.397 12.941 ( -5.187 7.165 -0.196) 8.847 13.507 ( -4.654 -0.374 -0.114) 4.671 14.038 ( 3.710 -4.286 1.350) 5.827 14.103 ( 2.289 -0.126 -0.077) 2.294 14.782 ( -0.233 1.925 3.603) 4.091 14.936 ( -6.918 -3.744 0.119) 7.867 16.125 ( 3.843 1.941 -0.226) 4.311 16.267 ( 1.057 0.921 -3.140) 3.438 16.468 ( -1.585 1.029 0.251) 1.906 16.769 ( -0.160 0.747 -1.056) 1.303 16.882 ( 1.533 -1.284 0.318) 2.025 ======================= Grid point 302 (161/226) ======================= q-point: ( 0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -8.210 12.969 6.952) 16.850 1.550 ( -2.949 4.012 12.412) 13.374 2.327 ( -18.520 19.440 0.511) 26.855 2.654 ( 2.829 -4.057 -2.011) 5.340 4.037 ( 0.639 1.561 -3.725) 4.089 4.247 ( 0.706 -1.944 -9.800) 10.016 4.779 ( 11.869 -4.934 2.258) 13.051 4.913 ( 7.254 -2.293 -1.141) 7.693 5.145 ( 3.251 -11.882 0.245) 12.321 5.457 ( -1.742 -9.144 4.798) 10.473 5.701 ( 0.023 -5.163 0.325) 5.173 5.933 ( 1.160 -5.159 6.519) 8.394 6.471 ( -6.277 -1.711 7.010) 9.564 6.627 ( 8.637 7.151 -0.022) 11.213 6.972 ( 2.343 -2.564 -3.132) 4.677 7.227 ( 3.852 2.942 -0.900) 4.930 7.619 ( -3.537 4.141 -1.240) 5.585 8.824 ( -10.561 10.280 -6.084) 15.944 12.577 ( 3.323 3.003 -4.011) 6.012 12.666 ( 2.805 0.197 0.332) 2.831 12.966 ( -16.070 2.579 2.976) 16.545 13.653 ( -6.476 14.489 -8.018) 17.781 14.367 ( 5.089 -3.943 1.138) 6.538 14.670 ( -3.923 -1.716 1.380) 4.499 15.228 ( -1.846 5.525 7.902) 9.817 15.767 ( 0.403 -2.135 -6.098) 6.474 16.280 ( -1.463 -1.849 -1.480) 2.784 16.441 ( -0.630 0.465 0.288) 0.834 16.553 ( -0.688 4.695 -4.063) 6.247 16.947 ( -0.330 1.123 1.287) 1.740 ======================= Grid point 303 (162/226) ======================= q-point: ( 0.36 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -3.746 13.893 5.791) 15.511 1.609 ( -1.893 2.017 11.705) 12.028 2.331 ( -7.337 27.351 -0.410) 28.321 2.650 ( 2.381 -4.226 -1.258) 5.011 3.996 ( -2.810 -0.540 -4.102) 5.001 4.173 ( -0.767 -2.868 -7.786) 8.333 4.858 ( -0.792 2.656 -2.559) 3.772 4.950 ( 3.055 -16.927 2.022) 17.319 5.115 ( 11.583 -11.490 -2.115) 16.452 5.384 ( 0.659 -10.555 7.440) 12.930 5.707 ( 2.995 -2.163 2.485) 4.453 5.918 ( -0.515 -5.740 5.330) 7.850 6.369 ( -6.832 -2.682 4.952) 8.854 6.817 ( 5.063 7.778 0.211) 9.283 6.983 ( 3.451 -2.700 -1.950) 4.796 7.259 ( -3.796 1.863 -1.399) 4.453 7.627 ( 2.413 4.665 -2.675) 5.894 8.752 ( -7.492 12.830 -4.769) 15.604 12.532 ( 1.050 -3.940 -5.607) 6.933 12.728 ( -10.134 -1.400 2.659) 10.570 12.897 ( 5.181 14.298 2.809) 15.465 13.664 ( -5.515 17.518 -7.525) 19.847 14.412 ( 4.113 -4.924 0.260) 6.421 14.605 ( -2.553 -0.916 2.470) 3.668 15.287 ( -3.131 6.520 7.614) 10.502 15.746 ( 3.161 -2.644 -5.976) 7.259 16.237 ( -0.934 -1.699 -0.675) 2.053 16.442 ( -0.202 0.594 0.284) 0.688 16.560 ( -0.971 4.339 -3.775) 5.833 16.963 ( -0.007 1.417 0.710) 1.584 ======================= Grid point 304 (163/226) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 3.795 9.985 2.612) 10.996 1.657 ( -1.601 1.912 9.132) 9.466 2.555 ( 1.422 23.327 0.354) 23.373 2.641 ( 0.760 2.731 -2.683) 3.903 3.914 ( -4.375 -0.393 -1.675) 4.701 4.081 ( -1.630 -4.283 -5.264) 6.980 4.770 ( -1.100 -17.086 -0.699) 17.136 4.849 ( -2.648 2.324 -1.006) 3.664 5.108 ( -1.992 -10.991 -1.421) 11.260 5.438 ( 13.774 -11.939 8.502) 20.114 5.730 ( 0.512 -3.255 0.401) 3.320 5.879 ( -1.228 -4.431 3.326) 5.674 6.299 ( -1.508 -1.579 4.004) 4.560 6.916 ( -1.245 7.135 -1.111) 7.327 6.998 ( 2.100 -5.164 -0.975) 5.659 7.166 ( -4.582 1.970 -1.731) 5.280 7.714 ( 1.066 6.433 -1.885) 6.787 8.776 ( -0.787 11.287 -2.668) 11.624 12.449 ( -7.560 -1.100 -0.457) 7.653 12.644 ( 4.421 -2.627 -2.005) 5.520 13.153 ( 6.679 12.346 3.900) 14.568 13.708 ( -4.536 17.875 -6.757) 19.641 14.381 ( -1.227 -5.176 -1.100) 5.431 14.628 ( 3.565 -1.156 3.342) 5.022 15.341 ( -2.787 5.236 9.028) 10.802 15.735 ( 2.671 -0.900 -8.782) 9.224 16.214 ( 0.139 -1.462 0.397) 1.521 16.448 ( 0.057 0.674 0.259) 0.725 16.563 ( -0.863 3.999 -3.365) 5.297 16.978 ( -0.091 0.926 0.486) 1.049 ======================= Grid point 305 (164/226) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 11.303 9.955 0.377) 15.066 1.709 ( 0.071 3.204 6.340) 7.104 2.567 ( -0.349 -6.948 -0.682) 6.990 2.876 ( 2.378 27.545 -3.090) 27.820 3.827 ( -5.893 -0.338 1.394) 6.065 4.001 ( -0.104 -4.048 -2.103) 4.563 4.590 ( -1.391 -14.855 -0.609) 14.933 4.846 ( -5.494 -4.469 0.092) 7.083 4.892 ( -5.083 -3.417 -0.213) 6.129 5.620 ( 14.947 -11.268 5.272) 19.447 5.662 ( -2.381 -4.196 -2.741) 5.549 5.837 ( -1.420 -2.960 1.948) 3.817 6.335 ( 3.803 -0.662 3.696) 5.345 6.850 ( -8.546 -0.977 -2.721) 9.022 6.961 ( -1.692 1.538 -1.830) 2.929 7.200 ( 5.017 2.100 0.279) 5.446 7.724 ( -6.101 5.972 -0.072) 8.538 8.897 ( 5.018 8.207 -1.140) 9.687 12.313 ( -7.652 -0.501 1.837) 7.886 12.745 ( 10.950 -2.212 -2.460) 11.438 13.352 ( 2.205 10.150 1.963) 10.570 13.782 ( -1.146 14.838 -3.904) 15.386 14.290 ( -2.555 -5.881 -0.986) 6.487 14.695 ( 3.638 -0.930 1.630) 4.093 15.376 ( -2.751 -1.500 9.354) 9.865 15.738 ( 2.723 5.510 -9.438) 11.263 16.215 ( 1.020 -1.497 0.762) 1.965 16.460 ( 0.434 0.596 0.363) 0.821 16.576 ( 0.021 4.490 -2.986) 5.392 16.978 ( -0.760 -0.177 0.656) 1.020 ======================= Grid point 306 (165/226) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 6.941 9.956 0.861) 12.167 1.805 ( 7.457 6.097 3.053) 10.104 2.464 ( -3.124 -7.503 -1.654) 8.293 3.108 ( 2.025 17.275 -2.306) 17.546 3.743 ( -4.921 0.206 1.547) 5.163 3.980 ( 1.021 -4.690 2.064) 5.225 4.458 ( 1.108 -10.788 -2.085) 11.044 4.553 ( -13.059 -6.571 0.478) 14.626 4.953 ( 2.755 3.460 2.045) 4.873 5.525 ( -4.970 -4.389 -6.374) 9.198 5.764 ( 7.039 -4.095 -3.889) 9.024 5.820 ( 4.409 -7.071 7.803) 11.416 6.427 ( 5.286 -1.163 3.779) 6.601 6.678 ( -9.089 -0.813 -1.921) 9.325 6.915 ( -3.644 0.769 -2.567) 4.523 7.330 ( 7.507 2.459 0.262) 7.904 7.646 ( -9.191 3.841 1.634) 10.095 9.050 ( 5.741 5.616 -0.419) 8.042 12.225 ( -4.490 0.012 2.288) 5.039 12.898 ( 10.130 -0.728 -1.316) 10.241 13.444 ( -1.530 9.760 -1.026) 9.932 13.894 ( 2.460 7.791 -0.400) 8.180 14.181 ( -2.997 -6.572 -0.866) 7.275 14.742 ( 1.846 0.197 0.869) 2.049 15.308 ( -4.946 -6.493 3.034) 8.708 15.834 ( 4.773 8.269 -3.270) 10.092 16.223 ( 1.214 -1.403 0.221) 1.868 16.475 ( 0.675 0.171 0.545) 0.884 16.620 ( 1.532 5.751 -2.635) 6.509 16.956 ( -1.647 -1.430 1.092) 2.440 ======================= Grid point 307 (166/226) ======================= q-point: ( 0.73 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 0.595 6.281 2.064) 6.638 2.057 ( 8.019 7.441 0.464) 10.949 2.319 ( -6.132 -3.654 -1.742) 7.347 3.248 ( 2.992 6.186 0.112) 6.873 3.699 ( -2.454 0.927 1.153) 2.865 3.874 ( -2.802 -15.743 -1.172) 16.034 4.365 ( -2.201 -0.673 0.735) 2.416 4.508 ( 5.045 6.619 2.021) 8.564 5.027 ( 1.264 1.571 3.108) 3.705 5.341 ( -7.896 -3.622 -9.326) 12.745 5.757 ( -0.212 0.752 -4.455) 4.523 5.904 ( 7.794 -9.265 5.255) 13.199 6.504 ( 3.771 -4.423 3.784) 6.935 6.536 ( -8.163 2.183 0.266) 8.454 6.852 ( -1.238 -0.743 -2.914) 3.252 7.473 ( 5.557 4.188 -0.055) 6.959 7.534 ( -7.529 -0.189 2.077) 7.812 9.168 ( 3.462 3.749 -0.332) 5.114 12.190 ( -1.712 0.575 1.626) 2.430 13.017 ( 4.175 1.604 -0.770) 4.539 13.508 ( 0.299 8.340 -1.088) 8.416 13.963 ( 1.713 -3.257 0.181) 3.685 14.086 ( -1.494 -1.920 -0.345) 2.457 14.775 ( 0.726 0.541 2.443) 2.606 15.158 ( -6.076 -5.752 -1.891) 8.578 15.975 ( 4.965 5.317 0.532) 7.294 16.230 ( 1.135 -0.721 -0.855) 1.593 16.489 ( 0.420 -0.022 0.596) 0.729 16.697 ( 2.708 5.947 -2.321) 6.935 16.913 ( -2.263 -2.424 1.526) 3.650 ======================= Grid point 308 (167/226) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -8.304 3.786 1.493) 9.247 2.122 ( -0.561 -4.927 -0.601) 4.995 2.277 ( -1.038 8.060 0.562) 8.146 3.312 ( -0.487 0.651 0.157) 0.829 3.628 ( -1.172 -9.795 3.169) 10.362 3.774 ( 6.653 -5.147 -2.724) 8.842 4.404 ( 4.966 5.421 -4.367) 8.551 4.742 ( 6.780 11.785 4.839) 14.431 5.069 ( -0.705 2.073 6.001) 6.388 5.099 ( -9.909 -3.128 -9.685) 14.204 5.739 ( -0.058 1.226 -3.960) 4.146 5.939 ( 3.800 -8.306 2.665) 9.515 6.450 ( -5.389 2.866 0.714) 6.146 6.507 ( 0.530 -6.999 3.851) 8.006 6.850 ( 3.081 -0.531 -1.737) 3.576 7.420 ( -7.166 -0.920 3.146) 7.880 7.586 ( 4.805 2.235 -2.280) 5.769 9.226 ( 0.461 2.587 -0.660) 2.709 12.191 ( 0.104 1.052 -0.067) 1.060 13.050 ( -1.704 2.310 -0.344) 2.891 13.574 ( -1.649 5.558 -0.005) 5.797 13.920 ( 3.486 -8.377 0.177) 9.075 14.090 ( 0.237 1.343 -0.460) 1.439 14.807 ( 0.838 -0.956 5.461) 5.607 15.003 ( -5.809 -2.496 -3.951) 7.456 16.082 ( 3.361 1.390 0.944) 3.757 16.243 ( 1.444 1.379 -1.927) 2.775 16.493 ( -0.388 0.110 0.431) 0.590 16.773 ( 1.474 3.658 -1.512) 4.223 16.864 ( -1.287 -2.129 0.998) 2.680 ======================= Grid point 313 (168/226) ======================= q-point: ( 0.27 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -7.724 15.090 4.566) 17.556 1.701 ( -3.089 5.574 6.327) 8.980 2.483 ( 6.395 -5.678 1.484) 8.680 2.831 ( -19.969 12.110 -1.838) 23.426 4.017 ( 2.957 0.606 -4.252) 5.215 4.151 ( 2.554 -2.436 -6.359) 7.272 4.484 ( 11.910 -6.301 2.090) 13.635 4.894 ( -0.241 2.860 -0.098) 2.872 5.012 ( 0.368 -8.058 -3.314) 8.721 5.422 ( -1.656 -9.901 4.696) 11.082 5.618 ( 4.000 -6.568 0.396) 7.700 5.916 ( 1.315 -1.358 3.504) 3.981 6.512 ( 10.715 4.570 -1.839) 11.793 6.606 ( -5.990 -0.458 8.256) 10.211 6.883 ( 1.912 -4.556 -3.312) 5.948 7.195 ( 4.039 4.467 0.577) 6.050 7.720 ( -4.799 2.649 -0.128) 5.483 9.014 ( -7.217 6.408 -4.365) 10.592 12.519 ( -0.192 -4.134 -4.804) 6.341 12.641 ( 5.145 7.281 1.333) 9.014 13.269 ( -15.091 3.496 2.976) 15.774 13.801 ( -2.790 8.418 -3.645) 9.588 14.255 ( 4.337 -4.439 0.306) 6.214 14.728 ( -2.694 0.394 1.691) 3.206 15.258 ( 4.939 -3.330 7.210) 9.352 15.798 ( -6.146 4.973 -5.140) 9.430 16.276 ( -1.438 -2.097 -1.925) 3.189 16.468 ( -1.153 1.120 0.868) 1.827 16.572 ( -0.397 3.620 -4.612) 5.877 16.965 ( -0.117 0.270 1.399) 1.430 ======================= Grid point 314 (169/226) ======================= q-point: ( 0.36 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -8.196 16.578 4.561) 19.047 1.730 ( -3.543 4.540 5.837) 8.200 2.516 ( 3.313 -5.675 1.745) 6.799 2.718 ( -9.151 18.981 -1.923) 21.159 3.981 ( 0.022 -4.044 -6.544) 7.693 4.140 ( -0.591 1.592 -4.535) 4.842 4.662 ( 16.569 -9.657 2.859) 19.390 4.805 ( -1.152 -14.496 -3.593) 14.979 4.967 ( -1.255 3.037 -3.088) 4.509 5.330 ( -1.027 -11.148 6.923) 13.163 5.647 ( 3.141 -3.080 3.666) 5.727 5.928 ( -0.878 -1.705 4.003) 4.439 6.503 ( -8.672 -2.618 5.142) 10.416 6.736 ( 11.130 5.173 -1.358) 12.348 6.885 ( 3.925 -2.963 -2.561) 5.544 7.304 ( 2.001 5.054 0.223) 5.440 7.644 ( -3.579 0.707 -2.441) 4.389 8.949 ( -6.839 8.554 -3.155) 11.397 12.430 ( 0.846 -5.646 -5.629) 8.018 12.823 ( 2.398 5.946 2.758) 6.979 13.089 ( -11.578 8.342 2.598) 14.505 13.833 ( -2.402 11.800 -4.414) 12.825 14.289 ( 5.155 -5.378 0.742) 7.487 14.680 ( -4.750 0.972 1.638) 5.117 15.337 ( 4.399 -4.822 7.543) 9.975 15.739 ( -4.584 7.319 -5.519) 10.249 16.230 ( -0.814 -1.985 -0.666) 2.246 16.464 ( -1.188 1.190 0.975) 1.944 16.580 ( 0.045 3.732 -4.715) 6.014 16.972 ( 0.170 0.074 0.793) 0.814 ======================= Grid point 315 (170/226) ======================= q-point: ( 0.45 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -8.513 11.871 2.400) 14.804 1.746 ( -2.427 3.286 4.509) 6.084 2.514 ( 2.954 -7.381 0.888) 8.000 2.854 ( -0.845 26.273 -1.386) 26.323 3.919 ( 1.116 -3.148 -4.719) 5.781 4.087 ( -4.698 0.704 -3.043) 5.641 4.610 ( -0.579 -15.284 -3.385) 15.665 4.867 ( 15.204 -9.294 1.007) 17.848 4.939 ( -3.076 2.398 -2.472) 4.618 5.262 ( 0.693 -12.948 10.002) 16.376 5.682 ( 1.802 -3.123 2.769) 4.546 5.902 ( -2.588 -1.855 3.086) 4.434 6.371 ( -6.537 -1.913 2.691) 7.324 6.898 ( 4.646 -3.779 0.968) 6.066 6.927 ( 4.959 4.772 -3.827) 7.875 7.278 ( -7.383 1.298 -1.692) 7.685 7.683 ( 6.310 4.813 -2.874) 8.440 8.916 ( -5.354 8.361 -1.044) 9.983 12.400 ( 4.393 -3.305 -4.979) 7.417 12.734 ( -11.741 -1.231 2.771) 12.127 13.200 ( 4.382 13.573 3.140) 14.605 13.884 ( -2.651 12.993 -4.910) 14.141 14.312 ( 3.006 -5.532 -0.433) 6.311 14.634 ( -2.604 0.620 3.032) 4.044 15.389 ( 3.326 -6.689 6.470) 9.882 15.723 ( -3.035 9.563 -5.643) 11.512 16.206 ( -0.226 -1.600 0.819) 1.811 16.464 ( -0.776 0.952 0.821) 1.477 16.587 ( -0.332 3.888 -4.385) 5.870 16.981 ( 0.468 -0.195 0.359) 0.621 ======================= Grid point 316 (171/226) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 1.615 8.998 0.551) 9.158 1.769 ( -0.897 3.228 2.923) 4.446 2.477 ( 1.515 -8.807 -0.601) 8.957 3.099 ( 0.600 25.200 -1.560) 25.255 3.909 ( 1.156 -0.384 -0.126) 1.224 3.980 ( -5.741 -0.839 -2.573) 6.347 4.463 ( -0.499 -11.117 -2.406) 11.385 4.904 ( -2.913 2.247 0.451) 3.706 4.920 ( -0.959 -7.257 0.024) 7.321 5.275 ( 12.672 -16.381 9.352) 22.724 5.657 ( -2.196 -3.512 -0.584) 4.183 5.853 ( -2.371 -2.163 1.811) 3.685 6.315 ( -0.315 -0.502 1.523) 1.634 6.884 ( -1.890 -4.617 -0.466) 5.011 7.001 ( 1.024 4.482 -3.917) 6.040 7.184 ( -2.144 1.322 -1.438) 2.901 7.805 ( 2.537 5.217 -1.719) 6.051 8.934 ( -0.886 6.842 0.898) 6.958 12.424 ( -0.110 -0.528 -0.860) 1.015 12.593 ( -1.430 -1.586 0.223) 2.146 13.403 ( 4.179 9.670 2.887) 10.923 13.930 ( -2.912 12.260 -4.821) 13.491 14.264 ( -1.522 -5.435 -1.643) 5.878 14.652 ( 1.910 -0.405 3.749) 4.227 15.380 ( 1.145 -8.688 2.461) 9.102 15.763 ( -0.973 11.141 -2.813) 11.532 16.200 ( 0.203 -1.371 1.729) 2.216 16.465 ( -0.287 0.339 0.428) 0.617 16.600 ( -0.025 4.818 -3.603) 6.016 16.984 ( 0.070 -0.639 0.391) 0.752 ======================= Grid point 317 (172/226) ======================= q-point: ( 0.64 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 12.290 6.177 0.200) 13.757 1.822 ( 1.675 4.740 1.563) 5.264 2.392 ( -0.311 -9.487 -2.108) 9.723 3.282 ( -2.044 17.089 -1.301) 17.260 3.869 ( -6.732 3.814 -2.324) 8.079 3.937 ( 0.449 -2.607 2.639) 3.737 4.357 ( -0.108 -6.238 -0.745) 6.283 4.730 ( -12.539 -4.443 4.462) 14.032 4.942 ( 2.652 2.034 0.797) 3.436 5.417 ( 16.927 -16.174 4.003) 23.751 5.549 ( -4.948 -3.207 -4.176) 7.226 5.818 ( -1.115 -1.372 1.692) 2.447 6.352 ( 4.078 -0.959 0.836) 4.272 6.769 ( -6.132 -2.351 -1.162) 6.670 6.992 ( -3.890 3.210 -4.503) 6.761 7.228 ( 5.857 1.333 -0.717) 6.049 7.819 ( -5.196 3.731 0.281) 6.403 9.023 ( 3.624 4.921 1.691) 6.341 12.349 ( -7.503 1.297 2.948) 8.165 12.687 ( 11.864 -1.273 -1.838) 12.073 13.535 ( 1.215 6.610 1.524) 6.892 13.960 ( -2.505 8.380 -4.102) 9.661 14.164 ( -2.847 -5.236 -1.262) 6.092 14.712 ( 2.978 -0.424 3.341) 4.496 15.293 ( -1.640 -8.731 -2.292) 9.175 15.859 ( 1.313 9.236 0.938) 9.376 16.203 ( 0.410 -1.158 1.548) 1.976 16.467 ( 0.421 -0.385 0.173) 0.596 16.640 ( 0.905 6.077 -2.677) 6.702 16.973 ( -0.965 -1.127 0.854) 1.712 ======================= Grid point 318 (173/226) ======================= q-point: (-0.27 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 7.776 -1.324 1.467) 8.024 1.986 ( 9.854 9.869 -0.161) 13.947 2.275 ( -0.724 -9.338 -2.847) 9.789 3.347 ( -3.359 8.901 0.201) 9.516 3.783 ( -6.063 -5.991 -2.642) 8.924 3.832 ( -7.696 1.155 -1.498) 7.925 4.401 ( 2.525 1.373 7.986) 8.488 4.578 ( -5.267 6.107 2.846) 8.552 5.016 ( 3.221 0.591 2.584) 4.172 5.387 ( -6.926 -2.229 -6.526) 9.774 5.549 ( 14.693 -13.984 -2.402) 20.426 5.808 ( -0.013 -2.297 3.624) 4.291 6.416 ( 4.811 -2.310 -0.033) 5.337 6.657 ( -5.922 0.397 -0.108) 5.936 6.905 ( -5.620 1.754 -4.093) 7.170 7.348 ( 7.459 0.805 -1.967) 7.756 7.734 ( -8.944 2.542 2.479) 9.623 9.138 ( 4.268 3.093 1.455) 5.468 12.276 ( -5.414 2.222 2.560) 6.388 12.871 ( 11.857 -0.609 -0.887) 11.906 13.598 ( -0.394 5.331 0.835) 5.410 13.927 ( -3.203 -2.074 -3.707) 5.320 14.100 ( -1.123 0.555 -0.085) 1.256 14.770 ( 2.080 -0.738 3.999) 4.568 15.153 ( -3.219 -6.925 -5.818) 9.600 15.973 ( 2.515 5.377 3.132) 6.712 16.208 ( 0.589 -0.350 0.278) 0.740 16.474 ( 1.021 -0.851 0.417) 1.393 16.707 ( 1.651 6.228 -2.282) 6.836 16.941 ( -2.182 -1.521 1.497) 3.052 ======================= Grid point 319 (174/226) ======================= q-point: (-0.18 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 7.706 -5.738 -0.465) 9.618 2.075 ( -7.044 2.593 -0.387) 7.516 2.278 ( 7.889 -2.244 -0.457) 8.214 3.384 ( -0.091 5.822 1.452) 6.001 3.520 ( -7.169 -13.059 -2.720) 15.143 3.801 ( -4.558 8.749 -0.655) 9.887 4.419 ( -2.311 3.284 2.853) 4.926 4.762 ( 7.121 11.337 4.996) 14.290 5.086 ( 2.349 0.382 5.720) 6.195 5.204 ( -8.670 0.757 -7.788) 11.679 5.613 ( 10.708 -9.952 -7.477) 16.419 5.807 ( 1.212 -6.584 6.295) 9.189 6.449 ( 1.981 -1.792 -0.775) 2.781 6.567 ( -5.524 -0.822 -0.488) 5.607 6.841 ( -1.964 2.858 -1.327) 3.713 7.416 ( 2.472 -3.753 -2.388) 5.089 7.650 ( -5.554 4.639 2.569) 7.679 9.222 ( 2.417 1.679 0.710) 3.027 12.240 ( -3.330 2.996 0.922) 4.573 13.013 ( 6.182 -1.301 -0.206) 6.321 13.661 ( 1.571 5.492 1.990) 6.049 13.805 ( -2.777 -7.337 -3.133) 8.447 14.109 ( -0.532 2.442 -0.007) 2.500 14.803 ( 0.911 -3.257 5.421) 6.390 15.017 ( -2.668 -2.798 -7.316) 8.274 16.063 ( 1.875 1.234 3.650) 4.285 16.225 ( 1.359 1.843 -1.302) 2.634 16.486 ( 1.007 -0.976 0.726) 1.579 16.774 ( 1.718 4.770 -2.348) 5.588 16.893 ( -3.014 -1.637 1.862) 3.902 ======================= Grid point 324 (175/226) ======================= q-point: ( 0.27 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -3.325 15.455 2.184) 15.959 1.810 ( -1.452 4.834 2.263) 5.532 2.302 ( 9.067 -6.487 2.402) 11.405 3.236 ( -17.875 6.849 0.900) 19.163 3.870 ( 6.247 -5.636 -2.164) 8.687 4.027 ( 2.868 -8.948 -1.772) 9.562 4.429 ( -2.121 9.308 -4.472) 10.542 4.910 ( -4.262 -7.245 -3.187) 8.989 4.966 ( 0.890 4.624 -1.971) 5.105 5.371 ( 3.881 -7.891 5.874) 10.575 5.448 ( 7.066 -6.449 -0.729) 9.594 5.894 ( 1.823 -0.035 -0.036) 1.823 6.379 ( 7.888 2.593 -1.431) 8.426 6.741 ( -4.104 0.477 8.900) 9.812 6.803 ( -0.761 -5.754 -2.912) 6.494 7.189 ( 2.931 4.985 1.511) 5.977 7.807 ( -3.615 0.609 0.722) 3.737 9.130 ( -3.995 3.969 -3.765) 6.774 12.466 ( -2.740 -6.594 -3.246) 7.844 12.645 ( 5.501 10.640 0.476) 11.987 13.530 ( -10.213 3.831 1.502) 11.011 13.860 ( -0.194 1.229 1.040) 1.622 14.161 ( 1.947 -2.750 -1.086) 3.540 14.777 ( -0.480 2.065 1.809) 2.787 15.131 ( 7.402 -6.753 3.541) 10.627 15.945 ( -6.534 5.949 -1.479) 8.960 16.265 ( -1.407 -2.405 -2.568) 3.790 16.483 ( 1.440 1.119 -0.195) 1.834 16.614 ( -3.884 3.261 -2.192) 5.525 16.972 ( 0.110 -0.180 1.041) 1.062 ======================= Grid point 325 (176/226) ======================= q-point: ( 0.36 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -6.658 16.200 3.277) 17.818 1.859 ( -1.572 7.656 1.086) 7.891 2.382 ( 6.347 -6.939 2.306) 9.682 3.046 ( -13.591 11.281 0.864) 17.684 3.863 ( 2.092 -7.364 -5.476) 9.412 4.046 ( 10.394 -8.045 -0.149) 13.145 4.467 ( 0.941 5.347 -2.908) 6.159 4.687 ( -4.621 -13.790 -6.463) 15.915 5.021 ( -0.538 6.098 -1.732) 6.362 5.289 ( -1.905 -10.654 6.403) 12.575 5.583 ( 5.966 -1.532 5.561) 8.298 5.937 ( 1.764 0.487 1.592) 2.426 6.553 ( 9.967 0.738 -0.807) 10.027 6.657 ( -5.686 0.648 0.067) 5.723 6.784 ( 2.752 -4.089 1.347) 5.110 7.307 ( 4.034 6.177 1.274) 7.487 7.710 ( -6.403 -2.779 -1.566) 7.154 9.091 ( -4.334 5.870 -2.504) 7.714 12.349 ( -1.223 -5.885 -4.260) 7.368 12.845 ( 4.978 9.668 1.574) 10.988 13.373 ( -13.315 4.837 2.025) 14.311 13.909 ( 1.382 5.322 -0.869) 5.567 14.165 ( 3.745 -4.942 -0.203) 6.204 14.777 ( -3.501 2.891 0.989) 4.647 15.200 ( 7.171 -8.429 4.363) 11.896 15.896 ( -6.341 8.504 -2.401) 10.876 16.218 ( -0.548 -2.187 -0.600) 2.333 16.502 ( -0.545 0.910 0.706) 1.274 16.594 ( -1.223 4.279 -3.322) 5.554 16.969 ( -0.013 -1.131 0.517) 1.244 ======================= Grid point 326 (177/226) ======================= q-point: ( 0.45 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -10.391 9.394 2.371) 14.208 1.875 ( -6.214 8.428 0.127) 10.472 2.392 ( 3.287 -8.992 1.488) 9.689 3.077 ( -1.196 18.354 0.718) 18.407 3.806 ( 3.093 -5.500 -4.329) 7.653 4.116 ( 3.181 -2.767 -2.541) 4.923 4.479 ( -0.099 -11.548 -5.105) 12.626 4.547 ( 7.875 -2.535 -0.016) 8.273 5.027 ( -3.301 4.368 -2.290) 5.935 5.210 ( -0.847 -11.484 9.299) 14.801 5.657 ( 1.548 -1.219 4.606) 5.010 5.952 ( -2.056 -0.391 3.198) 3.822 6.480 ( -7.812 -3.620 1.006) 8.669 6.796 ( 11.034 4.322 -3.955) 12.493 6.811 ( 4.156 -3.279 0.463) 5.314 7.390 ( -4.284 3.063 -0.411) 5.283 7.608 ( 2.616 -0.105 -2.874) 3.887 9.065 ( -4.835 5.859 -0.493) 7.612 12.284 ( 2.094 -3.628 -4.159) 5.903 12.908 ( -6.996 1.004 2.424) 7.472 13.314 ( -2.470 11.117 1.854) 11.538 13.974 ( 0.350 7.274 -2.684) 7.761 14.189 ( 5.071 -5.852 0.433) 7.755 14.735 ( -5.269 2.721 1.107) 6.033 15.248 ( 6.093 -9.483 3.097) 11.689 15.877 ( -5.074 10.176 -2.239) 11.589 16.199 ( -0.019 -1.649 1.544) 2.259 16.496 ( -1.340 0.453 0.798) 1.624 16.606 ( -0.404 4.917 -3.521) 6.061 16.963 ( 0.737 -1.629 0.130) 1.793 ======================= Grid point 327 (178/226) ======================= q-point: ( 0.55 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -9.870 5.613 1.079) 11.406 1.849 ( -4.141 5.328 -0.439) 6.762 2.357 ( 2.464 -9.032 -0.359) 9.369 3.273 ( 2.319 16.633 0.136) 16.794 3.825 ( 5.087 -1.414 -1.515) 5.493 4.070 ( -4.009 1.285 -2.956) 5.144 4.393 ( -0.251 -2.378 -3.930) 4.601 4.692 ( 14.695 -9.063 2.218) 17.407 4.984 ( -4.009 2.560 -1.617) 5.024 5.134 ( -1.921 -13.201 10.892) 17.222 5.665 ( -1.400 -1.640 1.932) 2.895 5.902 ( -4.370 -1.605 2.548) 5.307 6.347 ( -4.486 -2.095 -0.860) 5.025 6.850 ( 2.410 -2.130 2.063) 3.821 6.946 ( 6.358 2.545 -5.651) 8.879 7.259 ( -7.373 -0.336 -2.971) 7.957 7.739 ( 8.382 3.941 -1.852) 9.446 9.042 ( -4.111 4.678 1.700) 6.455 12.310 ( 6.366 -1.291 -2.769) 7.062 12.747 ( -11.999 -0.531 2.422) 12.253 13.442 ( 2.928 8.412 1.874) 9.102 14.023 ( -0.427 7.037 -3.610) 7.921 14.205 ( 2.469 -4.625 -1.115) 5.360 14.689 ( -3.415 1.364 2.770) 4.604 15.247 ( 3.976 -9.756 -0.535) 10.549 15.900 ( -3.150 10.277 -0.169) 10.751 16.199 ( 0.004 -1.275 2.932) 3.198 16.479 ( -1.114 -0.308 0.013) 1.156 16.632 ( -0.307 5.703 -2.639) 6.291 16.965 ( 1.200 -1.644 0.076) 2.037 ======================= Grid point 328 (179/226) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 1.322 1.917 0.332) 2.353 1.844 ( -0.177 1.907 -0.813) 2.081 2.299 ( 0.414 -6.503 -2.105) 6.848 3.409 ( 0.467 6.524 0.019) 6.541 3.899 ( 2.381 1.020 1.068) 2.802 4.036 ( -4.386 11.360 -3.871) 12.778 4.345 ( -2.458 -0.466 -0.003) 2.502 4.836 ( 7.287 -4.230 2.043) 8.669 4.941 ( -3.789 0.009 2.280) 4.423 5.049 ( 5.679 -16.405 7.426) 18.881 5.594 ( -5.253 -1.765 -1.765) 5.816 5.842 ( -2.374 -1.106 1.917) 3.246 6.294 ( 0.865 -2.143 -1.373) 2.688 6.838 ( -3.822 -0.521 1.509) 4.142 7.001 ( 2.353 1.934 -6.807) 7.457 7.181 ( -0.075 0.537 -1.757) 1.838 7.861 ( 3.052 2.560 -1.524) 4.265 9.052 ( -0.666 3.260 3.292) 4.681 12.422 ( 7.028 1.069 -0.037) 7.109 12.588 ( -6.895 -0.154 1.348) 7.027 13.548 ( 2.608 2.080 1.580) 3.691 14.047 ( -1.791 6.227 -4.541) 7.912 14.163 ( -1.943 -2.243 -1.825) 3.484 14.693 ( 0.830 -0.477 4.177) 4.286 15.187 ( 1.315 -9.138 -4.482) 10.262 15.957 ( -1.430 8.270 2.252) 8.689 16.205 ( -0.219 -0.980 3.188) 3.342 16.459 ( -0.321 -0.853 -0.537) 1.058 16.675 ( 0.282 6.146 -1.733) 6.392 16.968 ( 0.665 -1.367 0.426) 1.579 ======================= Grid point 329 (180/226) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 10.379 -3.465 0.552) 10.956 1.877 ( 6.856 -3.219 -1.864) 7.800 2.235 ( -2.294 -0.602 -2.406) 3.378 3.422 ( -1.102 -1.605 0.194) 1.957 3.862 ( -8.613 -0.632 0.263) 8.640 4.028 ( -8.386 13.867 -6.562) 17.484 4.406 ( 5.666 4.616 8.244) 11.017 4.791 ( -10.462 3.559 6.626) 12.885 4.965 ( 4.977 -1.856 2.751) 5.981 5.123 ( 16.384 -15.853 -0.267) 22.799 5.460 ( -7.141 -1.022 -4.419) 8.459 5.820 ( -1.076 -0.854 1.772) 2.242 6.308 ( 4.465 -2.953 -1.344) 5.519 6.763 ( -6.144 1.523 0.382) 6.341 6.966 ( -2.926 1.002 -6.151) 6.885 7.239 ( 5.825 1.311 -1.623) 6.187 7.861 ( -3.696 0.607 -0.151) 3.749 9.115 ( 2.718 1.813 3.363) 4.689 12.422 ( -7.436 2.919 2.512) 8.374 12.660 ( 12.293 -0.096 -0.490) 12.303 13.583 ( 2.331 -4.625 1.485) 5.388 13.999 ( -6.174 3.916 -5.955) 9.429 14.130 ( -0.977 2.119 0.557) 2.399 14.741 ( 2.783 -1.806 4.692) 5.747 15.075 ( -0.803 -7.585 -7.742) 10.868 16.026 ( -0.154 5.000 4.238) 6.556 16.209 ( -0.280 -0.160 1.847) 1.875 16.450 ( 0.737 -1.164 -0.236) 1.398 16.731 ( 0.865 5.586 -1.506) 5.850 16.962 ( -0.682 -1.086 1.003) 1.628 ======================= Grid point 330 (181/226) ======================= q-point: (-0.18 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 6.994 -10.628 -1.632) 12.827 2.004 ( 14.540 -10.791 -1.433) 18.163 2.210 ( -2.728 8.007 -0.347) 8.466 3.344 ( -2.061 -9.970 0.208) 10.183 3.687 ( -11.603 5.718 -0.840) 12.963 4.003 ( -7.612 15.639 -5.378) 18.206 4.534 ( -2.773 -0.845 11.104) 11.476 4.804 ( 1.353 10.279 2.720) 10.718 5.066 ( 5.531 0.692 7.333) 9.211 5.231 ( 15.173 -13.674 -4.202) 20.853 5.307 ( -7.570 1.652 -6.231) 9.943 5.800 ( -1.097 -2.496 2.442) 3.660 6.356 ( 5.282 -2.816 -1.379) 6.142 6.661 ( -7.347 0.199 -2.066) 7.634 6.907 ( -2.582 3.350 -2.509) 4.918 7.323 ( 4.317 -0.559 -2.592) 5.066 7.782 ( -5.658 0.257 1.213) 5.792 9.193 ( 3.129 0.417 2.245) 3.873 12.354 ( -5.793 3.734 0.808) 6.939 12.856 ( 10.996 -0.727 0.321) 11.025 13.568 ( 3.942 -10.260 1.683) 11.119 13.899 ( -7.197 5.605 -3.745) 9.861 14.151 ( -0.881 3.368 0.903) 3.597 14.780 ( 1.289 -4.407 5.129) 6.884 14.957 ( -0.058 -3.807 -9.474) 10.211 16.087 ( 0.092 1.456 5.916) 6.094 16.221 ( 0.642 1.906 -0.658) 2.116 16.457 ( 1.436 -1.421 0.483) 2.077 16.782 ( 0.917 4.058 -2.104) 4.662 16.936 ( -2.184 -0.967 1.578) 2.862 ======================= Grid point 335 (182/226) ======================= q-point: ( 0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 8.098 7.603 -0.471) 11.117 1.843 ( 8.098 3.361 1.910) 8.973 2.188 ( -2.042 -1.071 2.945) 3.740 3.422 ( 0.842 -1.521 0.268) 1.759 3.866 ( -9.462 -6.314 0.079) 11.376 3.941 ( -7.571 -4.720 3.265) 9.501 4.552 ( -1.952 12.139 -8.372) 14.874 4.901 ( -7.170 -6.968 -6.110) 11.717 4.998 ( 1.525 6.219 -0.417) 6.417 5.110 ( 19.820 0.558 0.357) 19.831 5.391 ( -3.757 -8.517 3.098) 9.811 5.858 ( 1.217 -1.040 -2.211) 2.730 6.294 ( 5.402 2.297 0.153) 5.873 6.758 ( -1.905 -6.009 2.375) 6.736 6.861 ( -4.116 0.695 4.540) 6.167 7.209 ( 1.772 5.073 1.917) 5.706 7.850 ( -1.454 -1.511 1.104) 2.370 9.177 ( -0.815 2.291 -3.598) 4.343 12.456 ( -5.089 -6.316 -1.279) 8.211 12.661 ( 5.317 11.410 -0.638) 12.604 13.606 ( 5.149 0.028 -1.205) 5.289 13.906 ( -6.649 -2.573 4.596) 8.483 14.148 ( -2.054 0.762 -1.315) 2.555 14.795 ( 2.028 2.766 0.074) 3.431 14.962 ( 7.159 -6.861 3.633) 10.561 16.078 ( -4.535 4.290 -1.142) 6.346 16.248 ( -1.342 -2.511 -3.043) 4.167 16.454 ( 2.300 0.621 -0.661) 2.472 16.714 ( -4.586 2.685 0.445) 5.333 16.969 ( 0.515 -0.358 0.265) 0.681 ======================= Grid point 336 (183/226) ======================= q-point: ( 0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 6.231 5.477 -0.574) 8.316 1.973 ( -4.284 14.803 1.308) 15.466 2.223 ( 7.709 -4.811 3.055) 9.587 3.345 ( -11.230 3.341 0.526) 11.728 3.753 ( 5.810 -9.372 1.071) 11.079 3.805 ( -2.738 -8.376 1.121) 8.883 4.568 ( -2.490 8.912 -10.681) 14.132 4.642 ( -9.340 -6.647 -4.666) 12.376 5.064 ( 0.718 5.904 -3.032) 6.675 5.272 ( -3.383 -9.440 6.609) 12.010 5.460 ( 14.821 2.157 6.740) 16.424 5.880 ( 4.466 0.174 -3.363) 5.593 6.416 ( 6.782 2.150 -0.199) 7.117 6.673 ( -1.365 -5.189 -1.831) 5.669 6.816 ( -4.841 -1.204 5.888) 7.718 7.313 ( 3.374 5.761 2.122) 7.005 7.765 ( -5.432 -4.674 -1.149) 7.257 9.171 ( -1.538 4.064 -2.316) 4.924 12.319 ( -3.777 -4.888 -2.397) 6.626 12.860 ( 5.739 10.474 0.456) 11.952 13.605 ( -7.966 3.430 -0.096) 8.673 13.866 ( 4.085 -3.675 3.257) 6.388 14.112 ( -1.233 -0.470 -1.518) 2.012 14.837 ( 0.070 3.152 -2.208) 3.849 15.034 ( 6.553 -7.740 6.084) 11.826 16.038 ( -4.356 5.633 -3.223) 7.816 16.204 ( -0.508 -1.634 0.076) 1.713 16.490 ( 1.896 0.580 -1.196) 2.315 16.677 ( -4.100 4.169 0.777) 5.899 16.958 ( -0.236 -1.933 -0.348) 1.978 ======================= Grid point 337 (184/226) ======================= q-point: ( 0.45 0.73 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -6.532 4.153 -0.329) 7.748 2.064 ( -0.619 10.358 -0.261) 10.380 2.284 ( 0.660 -5.766 2.236) 6.220 3.248 ( -4.528 7.980 0.169) 9.177 3.719 ( -0.571 -2.380 -0.970) 2.633 3.848 ( 15.337 -12.609 1.288) 19.896 4.404 ( -4.524 -7.478 -3.521) 9.422 4.585 ( -4.643 11.719 -6.561) 14.211 5.086 ( -1.242 3.623 -3.876) 5.449 5.181 ( -2.054 -10.264 9.231) 13.957 5.654 ( 2.993 0.794 6.939) 7.599 5.959 ( 4.291 0.775 -0.614) 4.403 6.518 ( 1.554 -3.621 0.482) 3.970 6.612 ( 4.465 -0.928 -6.722) 8.123 6.788 ( -0.263 0.097 4.450) 4.459 7.446 ( 3.988 6.319 2.085) 7.758 7.591 ( -6.835 -6.259 -3.540) 9.920 9.169 ( -2.659 4.101 -0.521) 4.915 12.226 ( -1.131 -2.896 -2.487) 3.981 13.000 ( 0.073 4.759 1.283) 4.929 13.493 ( -8.245 5.926 0.565) 10.169 13.955 ( 6.597 -1.129 1.042) 6.773 14.089 ( 0.571 -1.451 -0.899) 1.800 14.830 ( -2.536 2.916 -2.813) 4.780 15.086 ( 5.131 -8.602 4.990) 11.191 16.014 ( -3.318 6.823 -3.210) 8.238 16.198 ( -0.080 -0.687 2.545) 2.637 16.506 ( 0.320 0.004 -1.001) 1.051 16.671 ( -2.614 5.373 0.293) 5.982 16.931 ( 0.371 -2.855 -0.562) 2.933 ======================= Grid point 338 (185/226) ======================= q-point: (-0.45 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -8.316 -0.129 -0.213) 8.320 2.040 ( -13.218 5.693 -1.123) 14.435 2.232 ( 3.791 -6.050 -0.116) 7.141 3.326 ( 3.487 5.827 -0.399) 6.802 3.734 ( 4.142 0.309 -1.491) 4.413 4.002 ( 12.552 -4.062 -0.045) 13.193 4.331 ( 1.053 -0.375 1.320) 1.730 4.581 ( -3.001 6.737 -3.066) 7.987 5.047 ( -3.519 0.288 -3.064) 4.675 5.114 ( -1.203 -9.894 9.598) 13.837 5.694 ( -1.221 -0.071 3.595) 3.797 5.975 ( -3.018 -0.713 2.177) 3.789 6.399 ( -6.246 -3.985 -2.104) 7.702 6.729 ( 11.234 -1.513 -5.617) 12.651 6.855 ( 3.527 2.426 1.765) 4.630 7.367 ( -9.263 -2.369 -3.702) 10.253 7.625 ( 8.314 3.032 0.503) 8.864 9.152 ( -3.709 2.858 1.355) 4.874 12.211 ( 2.944 -0.635 -1.410) 3.326 12.938 ( -9.728 -0.044 1.603) 9.859 13.492 ( -0.484 5.534 0.507) 5.578 14.041 ( 2.881 2.070 -1.219) 3.751 14.099 ( 3.716 -2.663 -0.414) 4.590 14.784 ( -4.310 2.247 -1.350) 5.044 15.091 ( 3.732 -9.187 0.922) 9.959 16.025 ( -2.079 7.411 -1.329) 7.811 16.211 ( -0.144 -0.351 4.025) 4.043 16.490 ( -1.078 -0.661 -0.764) 1.477 16.692 ( -1.444 5.713 -0.124) 5.894 16.918 ( 1.715 -2.695 -0.457) 3.227 ======================= Grid point 339 (186/226) ======================= q-point: (-0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -8.592 -2.142 0.077) 8.855 1.850 ( -5.393 -7.527 -2.269) 9.534 2.259 ( 0.748 3.235 -1.953) 3.852 3.402 ( 2.582 -1.005 -0.252) 2.782 3.838 ( 7.729 1.787 0.727) 7.966 4.165 ( 3.857 11.414 -3.449) 12.532 4.398 ( 0.358 4.766 1.567) 5.029 4.586 ( 4.398 -6.674 3.955) 8.918 4.960 ( -2.124 -3.357 -1.382) 4.207 5.065 ( -3.280 -4.006 7.748) 9.319 5.659 ( -4.380 -0.439 0.178) 4.406 5.903 ( -4.778 -1.049 1.849) 5.230 6.273 ( -2.942 -3.388 -2.479) 5.127 6.854 ( 7.681 0.421 -3.119) 8.301 6.916 ( 0.753 1.213 -1.582) 2.131 7.210 ( -4.991 -0.683 -3.224) 5.980 7.781 ( 7.308 1.804 -0.630) 7.554 9.127 ( -3.047 1.304 3.188) 4.599 12.295 ( 7.344 1.230 0.240) 7.450 12.767 ( -11.376 0.319 1.399) 11.466 13.526 ( 0.922 -1.442 0.595) 1.812 14.078 ( 0.533 2.731 -2.211) 3.554 14.140 ( 2.643 0.201 -1.710) 3.154 14.731 ( -3.226 0.309 1.254) 3.475 15.049 ( 2.253 -8.664 -3.459) 9.597 16.063 ( -1.406 6.708 0.521) 6.874 16.228 ( -0.600 -0.376 4.999) 5.049 16.457 ( -1.180 -1.008 -1.010) 1.851 16.725 ( -0.576 4.812 -0.003) 4.846 16.930 ( 2.249 -1.613 -0.211) 2.776 ======================= Grid point 340 (187/226) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 0.968 -5.458 0.071) 5.544 1.707 ( 1.734 -13.863 -3.374) 14.373 2.290 ( -1.535 7.387 -2.006) 7.807 3.391 ( 0.196 -5.579 -0.194) 5.586 3.965 ( 0.526 2.796 2.531) 3.808 4.263 ( -6.484 17.647 -8.760) 20.741 4.401 ( 2.124 -2.556 6.062) 6.913 4.699 ( 13.655 -7.778 5.546) 16.665 4.943 ( 2.576 0.006 -1.037) 2.777 5.015 ( -6.992 2.190 7.484) 10.474 5.549 ( -7.147 -0.486 -2.708) 7.659 5.848 ( -2.371 -0.834 1.680) 3.023 6.218 ( 1.546 -3.310 -1.517) 3.956 6.878 ( -4.862 1.097 -1.837) 5.312 6.933 ( 3.078 1.243 -4.708) 5.761 7.175 ( 2.086 0.921 -1.654) 2.817 7.863 ( 2.427 -0.566 -1.370) 2.844 9.126 ( -0.199 -0.045 4.215) 4.220 12.464 ( 10.407 2.234 1.693) 10.778 12.611 ( -9.353 1.439 0.578) 9.480 13.496 ( 0.890 -8.537 0.754) 8.616 14.076 ( -2.244 3.059 -3.959) 5.484 14.171 ( 0.126 3.739 -0.536) 3.779 14.714 ( 0.605 -2.079 3.474) 4.094 14.965 ( 0.368 -7.272 -6.827) 9.981 16.105 ( -1.067 4.917 2.161) 5.475 16.238 ( -1.316 -0.222 4.684) 4.871 16.430 ( -0.082 -1.053 -1.022) 1.469 16.761 ( 0.291 3.375 -0.089) 3.388 16.950 ( 1.367 -0.770 0.053) 1.570 ======================= Grid point 341 (188/226) ======================= q-point: (-0.18 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 4.698 -12.270 -1.395) 13.213 1.643 ( 12.512 -14.637 -2.352) 19.399 2.325 ( -2.377 8.644 -1.031) 9.024 3.291 ( -2.768 -11.661 0.492) 11.996 3.909 ( -9.073 5.941 -0.424) 10.854 4.248 ( -7.301 15.355 -6.364) 18.154 4.512 ( 7.878 -6.408 5.938) 11.764 4.890 ( 9.243 -2.189 3.905) 10.270 4.969 ( -4.312 4.854 1.464) 6.655 5.039 ( 5.279 5.207 6.645) 9.957 5.411 ( -7.172 1.028 -3.882) 8.220 5.812 ( -1.757 -2.230 1.431) 3.179 6.240 ( 4.639 -2.520 -0.524) 5.305 6.763 ( -6.724 -0.818 -5.061) 8.456 6.948 ( -0.631 3.718 -1.717) 4.143 7.240 ( 4.513 0.958 -1.917) 4.996 7.838 ( -2.269 -2.353 -0.952) 3.404 9.162 ( 2.172 -1.157 3.574) 4.340 12.496 ( -7.374 3.139 -0.479) 8.029 12.676 ( 11.505 1.179 1.768) 11.699 13.419 ( 1.825 -12.870 1.289) 13.063 14.029 ( -4.785 4.535 -3.074) 7.274 14.207 ( -0.694 4.388 0.724) 4.501 14.737 ( 2.143 -4.473 4.560) 6.737 14.861 ( 0.023 -4.299 -9.075) 10.042 16.146 ( -0.695 2.500 5.048) 5.676 16.237 ( -1.061 0.959 1.565) 2.120 16.425 ( 1.051 -1.120 -0.210) 1.551 16.791 ( 0.535 1.995 -0.966) 2.280 16.954 ( -0.210 -0.743 0.354) 0.849 ======================= Grid point 401 (189/226) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 0.000 -0.000 12.860) 12.860 0.795 ( 0.000 -0.000 12.860) 12.860 1.519 ( 0.000 -0.000 23.234) 23.234 2.815 ( -0.000 0.000 -3.153) 3.153 4.229 ( -0.000 0.000 -10.821) 10.821 4.229 ( -0.000 0.000 -10.821) 10.821 5.001 ( -0.000 0.000 -8.283) 8.283 5.499 ( 0.000 -0.000 5.393) 5.393 5.499 ( 0.000 -0.000 5.393) 5.393 5.615 ( 0.000 -0.000 4.140) 4.140 5.615 ( 0.000 -0.000 4.140) 4.140 6.445 ( 0.000 0.000 0.352) 0.352 6.445 ( -0.000 0.000 0.352) 0.352 6.575 ( 0.000 -0.000 1.339) 1.339 7.013 ( -0.000 0.000 -3.354) 3.354 7.490 ( -0.000 0.000 -1.474) 1.474 7.490 ( -0.000 0.000 -1.474) 1.474 7.539 ( 0.000 -0.000 2.900) 2.900 12.532 ( 0.000 0.000 -0.005) 0.005 12.532 ( 0.000 0.000 -0.005) 0.005 12.821 ( -0.000 0.000 -1.485) 1.485 12.821 ( -0.000 0.000 -1.485) 1.485 14.662 ( 0.000 -0.000 3.860) 3.860 14.662 ( 0.000 -0.000 3.860) 3.860 14.731 ( -0.000 0.000 -1.529) 1.529 16.108 ( 0.000 -0.000 1.566) 1.566 16.295 ( -0.000 0.000 -1.224) 1.224 16.295 ( -0.000 0.000 -1.224) 1.224 16.454 ( 0.000 -0.000 0.061) 0.061 16.865 ( 0.000 -0.000 0.990) 0.990 ======================= Grid point 402 (190/226) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -3.255 12.082 11.331) 16.881 1.196 ( 25.188 4.401 9.631) 27.324 1.658 ( 3.231 2.319 16.725) 17.192 2.779 ( -1.850 -0.729 -2.693) 3.347 4.091 ( -3.018 -3.085 -7.583) 8.726 4.230 ( 1.913 1.151 -10.612) 10.844 4.886 ( -4.290 -3.949 -5.887) 8.285 5.360 ( -12.146 -10.064 4.520) 16.409 5.474 ( -5.953 -3.361 4.650) 8.268 5.585 ( -0.249 3.838 3.387) 5.124 5.753 ( 1.703 4.692 1.872) 5.331 6.297 ( -14.203 -7.381 7.742) 17.780 6.423 ( -0.738 -2.479 2.756) 3.780 6.530 ( 2.203 1.844 0.560) 2.927 7.009 ( 0.893 1.131 -2.071) 2.523 7.278 ( -4.508 -4.128 -2.130) 6.473 7.474 ( 1.754 -1.135 -1.186) 2.402 8.130 ( 27.998 16.776 -6.591) 33.298 12.479 ( 0.995 -6.931 -0.114) 7.003 12.691 ( 6.018 12.687 1.179) 14.092 12.811 ( -3.353 5.523 -1.699) 6.681 12.987 ( 19.232 1.881 -7.114) 20.592 14.545 ( -5.406 -4.694 1.694) 7.357 14.707 ( -1.766 4.763 2.520) 5.671 14.878 ( 10.913 1.787 1.695) 11.188 16.002 ( -8.270 -3.036 -0.068) 8.810 16.299 ( 0.053 0.847 -1.292) 1.546 16.361 ( 5.190 1.265 -0.966) 5.429 16.456 ( 0.212 0.116 -0.168) 0.295 16.891 ( 1.660 0.888 0.960) 2.113 ======================= Grid point 403 (191/226) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 2.439 11.311 7.473) 13.774 1.552 ( 6.245 -0.944 14.037) 15.393 1.993 ( 23.706 13.239 1.599) 27.200 2.713 ( -3.765 -1.057 -1.750) 4.284 3.994 ( -0.791 -4.348 -3.515) 5.647 4.195 ( 0.358 -0.240 -9.610) 9.620 4.787 ( -0.742 -2.435 -2.268) 3.410 5.045 ( -15.744 -11.969 3.410) 20.069 5.329 ( -9.274 -4.384 1.815) 10.417 5.619 ( -3.136 4.346 3.621) 6.468 5.786 ( -2.479 4.473 -1.449) 5.315 6.090 ( -9.261 -4.161 6.465) 12.037 6.470 ( 4.958 -5.641 3.366) 8.230 6.558 ( -0.844 2.739 2.487) 3.795 7.018 ( -2.113 3.242 -0.538) 3.907 7.178 ( -1.370 -4.683 -2.853) 5.652 7.521 ( 5.534 -0.240 -0.506) 5.562 8.585 ( 17.940 10.538 -6.623) 21.835 12.434 ( 2.537 -8.423 -0.153) 8.799 12.769 ( -5.826 6.872 -2.906) 9.467 12.957 ( 8.459 11.990 4.109) 15.238 13.304 ( 20.627 3.920 -9.742) 23.146 14.435 ( -4.881 -3.286 1.134) 5.992 14.729 ( -1.551 3.578 1.413) 4.148 15.100 ( 11.780 1.909 3.966) 12.576 15.837 ( -7.786 -1.524 -2.708) 8.383 16.298 ( -0.126 0.947 -1.578) 1.845 16.426 ( 2.180 0.220 -0.358) 2.220 16.469 ( 1.947 0.322 -1.313) 2.370 16.933 ( 1.559 0.775 1.062) 2.040 ======================= Grid point 404 (192/226) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 7.227 8.972 4.129) 12.238 1.668 ( 3.062 -0.605 8.483) 9.039 2.516 ( 15.373 8.384 2.039) 17.629 2.638 ( 3.234 4.641 -3.308) 6.553 3.943 ( 1.761 -5.474 -1.409) 5.921 4.131 ( -1.306 -1.180 -7.916) 8.109 4.664 ( -15.638 -8.875 3.809) 18.380 4.820 ( 2.384 -1.232 -1.039) 2.878 5.142 ( -8.013 -4.881 -0.530) 9.397 5.608 ( -4.942 3.910 2.709) 6.859 5.736 ( -6.874 2.050 -2.574) 7.621 5.976 ( -4.760 -2.188 2.532) 5.819 6.428 ( -1.431 -7.164 -1.022) 7.376 6.644 ( 3.297 2.137 7.975) 8.890 6.983 ( -6.038 4.403 -0.762) 7.511 7.123 ( 1.246 -4.439 -0.625) 4.652 7.631 ( 7.573 -0.077 0.427) 7.585 8.864 ( 11.292 6.870 -4.991) 14.129 12.406 ( 4.123 -8.675 -0.195) 9.607 12.711 ( -6.825 6.588 -2.684) 9.858 13.228 ( 9.605 9.247 3.023) 13.671 13.589 ( 14.711 4.337 -4.980) 16.125 14.332 ( -5.270 -2.551 0.764) 5.904 14.743 ( -0.388 1.758 0.331) 1.830 15.293 ( 4.542 -0.706 7.947) 9.180 15.728 ( -0.576 2.229 -6.493) 6.889 16.294 ( -0.296 1.079 -2.110) 2.388 16.452 ( 1.289 0.115 0.496) 1.386 16.499 ( 2.354 0.656 -2.234) 3.311 16.963 ( 0.787 0.173 1.175) 1.425 ======================= Grid point 405 (193/226) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 8.553 6.639 1.780) 10.973 1.752 ( 3.529 0.091 3.642) 5.072 2.429 ( -9.288 -4.937 1.844) 10.679 3.073 ( 20.393 13.899 -0.260) 24.681 3.915 ( 0.261 -4.719 -0.670) 4.774 4.041 ( -2.259 -2.228 -5.406) 6.269 4.408 ( -7.549 -3.472 0.989) 8.368 4.874 ( 3.221 0.029 0.887) 3.341 4.992 ( -3.642 -4.852 -2.125) 6.428 5.534 ( -10.282 -5.443 -6.426) 13.290 5.585 ( -8.135 5.187 3.824) 10.378 5.913 ( -2.798 -0.057 -0.255) 2.810 6.336 ( -1.925 -4.547 -0.645) 4.980 6.762 ( 3.767 0.107 9.048) 9.802 6.914 ( -5.859 4.180 -1.824) 7.425 7.121 ( 1.740 -2.388 1.810) 3.465 7.750 ( 6.590 -0.603 1.109) 6.709 9.034 ( 6.640 4.390 -4.236) 9.016 12.404 ( 5.520 -8.027 -0.398) 9.749 12.650 ( -6.469 6.807 -2.097) 9.622 13.456 ( 8.841 4.431 0.592) 9.907 13.805 ( 8.050 5.169 0.982) 9.617 14.225 ( -5.416 -2.100 0.425) 5.825 14.752 ( 0.677 -0.221 -0.721) 1.013 15.268 ( -7.701 -4.333 6.023) 10.694 15.823 ( 9.000 5.284 -3.851) 11.124 16.284 ( -0.541 1.189 -2.865) 3.149 16.465 ( 0.175 -1.056 0.401) 1.143 16.553 ( 4.068 2.985 -1.466) 5.254 16.974 ( 0.166 -0.640 1.041) 1.233 ======================= Grid point 406 (194/226) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 2.489 0.457 0.010) 2.531 1.823 ( 1.313 0.047 1.589) 2.062 2.254 ( -6.186 -3.362 3.057) 7.676 3.405 ( 6.457 3.325 0.504) 7.280 3.906 ( 3.268 4.582 0.610) 5.661 4.004 ( 2.396 0.285 -0.444) 2.454 4.372 ( 3.033 1.646 -3.020) 4.586 4.878 ( 1.197 -8.544 -2.733) 9.050 4.939 ( 0.828 -1.214 1.370) 2.009 5.197 ( -15.595 -5.859 -8.580) 18.739 5.555 ( -5.242 5.648 2.699) 8.164 5.875 ( -2.032 1.206 -1.643) 2.878 6.273 ( -1.884 -3.053 0.749) 3.665 6.860 ( 0.406 -0.003 7.331) 7.342 6.873 ( -0.476 3.242 -0.286) 3.289 7.146 ( 1.665 -1.144 2.326) 3.080 7.835 ( 3.964 -1.479 1.431) 4.466 9.117 ( 2.895 2.201 -4.100) 5.481 12.429 ( 6.686 -7.369 -0.906) 9.991 12.611 ( -5.203 7.453 -1.272) 9.178 13.572 ( 2.764 -1.301 -1.186) 3.278 13.963 ( 3.404 5.760 4.827) 8.251 14.147 ( -1.842 -0.536 0.164) 1.926 14.748 ( 0.625 -1.574 -1.853) 2.511 15.107 ( -9.305 -4.622 4.401) 11.283 15.992 ( 7.192 4.100 -1.483) 8.410 16.266 ( -0.833 1.263 -3.815) 4.104 16.449 ( -0.905 -0.985 0.444) 1.410 16.661 ( 5.324 3.646 -0.180) 6.455 16.968 ( -0.237 -1.505 0.515) 1.608 ======================= Grid point 413 (195/226) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 13.029 4.704 9.714) 16.919 1.219 ( -10.629 24.348 8.230) 27.812 1.746 ( 0.549 0.582 15.089) 15.110 2.764 ( 0.287 -1.638 -2.534) 3.031 4.039 ( -1.308 -4.370 -6.760) 8.155 4.179 ( 0.325 2.363 -9.241) 9.543 4.858 ( -1.050 -4.318 -5.439) 7.023 5.415 ( -3.457 -12.907 4.885) 14.227 5.495 ( -0.222 -7.812 1.989) 8.064 5.596 ( 4.199 1.009 3.321) 5.448 5.741 ( 3.142 1.042 2.468) 4.129 6.325 ( -0.193 -18.410 5.494) 19.213 6.372 ( -0.487 -4.052 3.385) 5.302 6.593 ( -0.076 8.461 0.095) 8.462 7.005 ( 0.519 2.715 -1.690) 3.240 7.261 ( -1.398 -6.293 -2.054) 6.766 7.519 ( -1.467 3.580 -1.879) 4.301 8.066 ( 0.565 29.387 -4.562) 29.745 12.494 ( -7.685 -1.451 0.530) 7.839 12.671 ( 10.001 8.935 -0.295) 13.414 12.773 ( 3.637 -0.673 -0.547) 3.739 12.987 ( -6.004 17.446 -5.750) 19.325 14.577 ( -2.800 -5.972 0.267) 6.601 14.674 ( 5.574 -1.930 3.685) 6.955 14.909 ( -2.981 11.819 1.483) 12.279 16.010 ( 1.225 -8.643 0.017) 8.730 16.265 ( 0.111 -1.097 -0.831) 1.381 16.374 ( -0.761 5.629 -0.975) 5.763 16.457 ( 0.004 0.553 -0.263) 0.612 16.897 ( -0.044 2.174 0.786) 2.312 ======================= Grid point 414 (196/226) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 1.283 8.713 2.905) 9.274 1.492 ( 8.576 11.838 12.913) 19.505 1.894 ( 7.614 12.358 4.563) 15.215 2.730 ( -1.195 -1.727 -1.746) 2.731 3.942 ( -1.358 -4.677 -3.526) 6.013 4.146 ( -0.183 -0.267 -7.220) 7.227 4.774 ( -1.412 -1.350 -2.506) 3.178 5.173 ( -11.552 -14.569 4.402) 19.107 5.373 ( -4.759 -10.795 0.080) 11.798 5.683 ( 0.867 2.512 1.822) 3.222 5.804 ( 2.645 -0.107 -1.041) 2.845 6.160 ( -4.303 -13.416 5.683) 15.192 6.380 ( 3.188 -2.905 4.462) 6.206 6.643 ( -2.940 6.843 0.477) 7.463 7.060 ( 2.039 4.773 -0.333) 5.201 7.152 ( -2.539 -5.659 -2.368) 6.639 7.502 ( -2.601 4.220 -0.855) 5.030 8.420 ( 13.499 18.647 -5.020) 23.561 12.384 ( -3.711 -3.914 0.979) 5.482 12.845 ( 6.158 -1.523 -1.483) 6.515 12.950 ( 6.381 9.902 3.128) 12.188 13.086 ( 6.029 20.790 -9.311) 23.564 14.474 ( -3.683 -4.402 0.607) 5.771 14.749 ( 2.712 -1.538 1.341) 3.394 15.034 ( 4.069 10.664 3.411) 11.913 15.896 ( -4.576 -6.570 -2.280) 8.325 16.269 ( 1.728 -1.417 -0.863) 2.395 16.413 ( 0.594 3.084 -0.246) 3.150 16.463 ( 0.087 1.351 -0.740) 1.543 16.930 ( 0.834 1.996 0.742) 2.287 ======================= Grid point 415 (197/226) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 1.206 13.482 0.971) 13.571 1.668 ( 2.313 -1.072 9.994) 10.314 2.322 ( 20.019 20.718 -0.838) 28.822 2.667 ( -3.257 -2.134 -1.390) 4.134 3.870 ( -0.357 -5.489 -0.377) 5.514 4.093 ( -0.390 -1.785 -4.946) 5.273 4.781 ( 1.732 2.803 0.592) 3.348 4.849 ( -14.833 -12.516 3.356) 19.696 5.156 ( -5.972 -14.253 -1.808) 15.559 5.677 ( -2.647 -0.073 -1.481) 3.034 5.814 ( -1.194 0.626 -2.813) 3.120 6.025 ( -3.237 -6.212 2.878) 7.573 6.429 ( -0.260 -0.803 3.903) 3.993 6.652 ( -0.410 1.513 3.275) 3.631 7.048 ( -1.105 -5.388 -2.921) 6.228 7.140 ( -1.505 7.221 2.219) 7.703 7.527 ( 3.156 1.049 0.203) 3.332 8.738 ( 11.319 11.477 -3.907) 16.586 12.311 ( -0.729 -5.388 1.444) 5.626 12.865 ( -3.937 5.122 -1.333) 6.596 13.132 ( 9.334 5.509 -2.859) 11.209 13.419 ( 13.445 15.436 -1.477) 20.524 14.381 ( -3.781 -3.745 0.585) 5.354 14.757 ( -0.092 -0.466 -0.910) 1.027 15.252 ( 7.153 7.184 7.231) 12.452 15.745 ( -4.480 -3.199 -5.674) 7.906 16.275 ( 1.137 -0.967 -1.523) 2.132 16.443 ( 0.762 1.152 0.627) 1.517 16.481 ( 0.780 2.259 -1.298) 2.720 16.961 ( 0.582 0.837 0.821) 1.309 ======================= Grid point 416 (198/226) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 2.973 15.530 0.032) 15.812 1.738 ( 1.974 0.826 4.731) 5.192 2.523 ( -6.798 -4.573 0.732) 8.226 2.859 ( 21.136 15.850 -1.767) 26.478 3.825 ( 1.391 -6.092 0.765) 6.296 4.052 ( -1.074 -0.599 -1.775) 2.159 4.527 ( -12.895 -8.269 1.617) 15.404 4.859 ( 1.539 1.964 1.645) 2.989 4.931 ( -2.003 -13.659 -2.093) 13.963 5.572 ( -5.813 -4.360 -7.213) 10.238 5.744 ( -5.231 0.921 -1.094) 5.423 5.971 ( -2.525 0.826 0.085) 2.658 6.385 ( -5.962 1.665 1.575) 6.387 6.719 ( 5.149 -3.494 7.473) 9.724 6.969 ( -1.250 -3.779 -2.871) 4.908 7.177 ( -4.058 7.422 3.559) 9.177 7.616 ( 7.514 -2.109 0.726) 7.838 8.957 ( 7.242 7.648 -3.097) 10.978 12.277 ( 1.845 -5.845 1.615) 6.338 12.826 ( -6.837 8.138 -2.030) 10.821 13.319 ( 10.678 2.624 -2.906) 11.373 13.737 ( 10.050 10.365 2.520) 14.655 14.283 ( -4.396 -3.848 0.695) 5.883 14.741 ( -0.264 -0.019 -2.041) 2.058 15.364 ( -4.274 -3.503 7.789) 9.550 15.721 ( 6.723 6.187 -6.093) 10.981 16.271 ( 0.526 -0.480 -2.363) 2.468 16.466 ( 0.124 0.557 1.237) 1.362 16.522 ( 2.515 3.342 -1.402) 4.411 16.972 ( -0.005 -0.630 0.892) 1.092 ======================= Grid point 417 (199/226) ======================= q-point: ( 0.73 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -0.855 12.032 -0.919) 12.098 1.822 ( 2.916 4.991 2.676) 6.370 2.343 ( -8.335 -6.183 1.298) 10.459 3.274 ( 14.965 6.608 -0.058) 16.359 3.814 ( 3.951 -5.508 -0.126) 6.780 4.025 ( -1.776 2.614 2.179) 3.838 4.362 ( -1.459 -1.695 -0.130) 2.240 4.734 ( 0.289 -15.307 -2.844) 15.572 4.950 ( 0.544 3.307 2.252) 4.038 5.322 ( -11.972 -5.112 -10.984) 17.033 5.683 ( -4.014 2.719 -0.121) 4.850 5.937 ( -3.626 3.095 -1.183) 4.912 6.322 ( -4.718 1.542 1.791) 5.277 6.808 ( 5.086 -5.733 7.936) 11.032 6.912 ( -0.513 -1.085 -2.705) 2.959 7.197 ( -3.606 5.758 4.069) 7.919 7.717 ( 7.452 -4.055 0.795) 8.521 9.083 ( 3.205 5.151 -2.964) 6.752 12.277 ( 3.732 -5.793 1.076) 6.975 12.785 ( -6.776 9.491 -1.937) 11.821 13.476 ( 7.605 0.791 -1.983) 7.899 13.960 ( 6.023 5.619 3.702) 9.030 14.183 ( -3.624 -3.753 1.187) 5.350 14.730 ( -0.130 0.968 -1.909) 2.144 15.219 ( -8.463 -6.548 2.846) 11.072 15.907 ( 8.279 6.566 -1.212) 10.635 16.256 ( -0.019 -0.080 -3.436) 3.437 16.468 ( -1.050 0.421 1.008) 1.515 16.614 ( 4.740 4.243 -0.461) 6.379 16.959 ( -0.494 -2.056 0.719) 2.233 ======================= Grid point 424 (200/226) ======================= q-point: ( 0.36 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -1.248 6.865 9.341) 11.659 1.634 ( -5.939 9.614 12.226) 16.648 1.871 ( -8.841 14.193 1.435) 16.783 2.715 ( 1.801 -2.802 -1.422) 3.622 4.002 ( -1.037 -1.816 -3.128) 3.763 4.139 ( 0.208 0.961 -9.306) 9.358 4.807 ( 0.695 0.206 -3.757) 3.827 5.249 ( 12.293 -11.351 4.060) 17.217 5.345 ( 5.217 -13.619 -0.546) 14.594 5.569 ( -0.627 -5.272 5.666) 7.765 5.731 ( 0.375 -0.371 0.723) 0.895 6.139 ( 4.722 -13.433 5.747) 15.355 6.447 ( -7.005 -2.101 4.834) 8.766 6.648 ( 4.108 9.288 -1.142) 10.219 7.002 ( 1.642 0.073 -0.638) 1.763 7.223 ( 0.538 0.035 -2.727) 2.779 7.533 ( 0.192 4.042 -1.689) 4.384 8.418 ( -13.404 19.307 -5.164) 24.064 12.567 ( 1.684 -1.453 -4.431) 4.957 12.679 ( -1.056 8.225 2.472) 8.653 12.770 ( -7.010 -1.073 2.541) 7.533 13.255 ( -8.817 20.180 -7.474) 23.256 14.498 ( 4.716 -4.119 0.196) 6.265 14.659 ( -2.363 -3.037 3.023) 4.894 15.110 ( -5.953 12.623 1.796) 14.071 15.857 ( 5.766 -8.885 -0.389) 10.600 16.262 ( -1.140 -1.461 -0.759) 2.003 16.426 ( -0.819 2.184 -0.378) 2.363 16.469 ( -0.525 2.735 -1.623) 3.224 16.932 ( -0.891 2.071 0.666) 2.351 ======================= Grid point 425 (201/226) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 6.188 6.062 3.927) 9.511 1.693 ( -4.337 5.322 11.898) 13.737 1.984 ( 0.950 24.294 -1.229) 24.344 2.703 ( 0.764 -2.937 -1.030) 3.205 3.931 ( -2.677 -2.060 -1.530) 3.708 4.101 ( 0.100 -1.131 -6.546) 6.643 4.780 ( -1.417 1.105 -2.424) 3.018 5.149 ( -2.525 -19.614 2.057) 19.882 5.312 ( -0.170 -11.254 -0.626) 11.273 5.619 ( 8.087 -3.533 4.257) 9.798 5.760 ( 0.673 -0.283 0.492) 0.880 6.077 ( 0.551 -13.764 4.859) 14.607 6.368 ( -1.953 -2.576 4.463) 5.511 6.756 ( -0.852 8.977 -1.567) 9.152 7.052 ( 3.748 1.338 0.668) 4.035 7.140 ( -5.500 -2.906 -3.419) 7.098 7.583 ( 0.302 5.778 -2.231) 6.201 8.474 ( -0.333 19.639 -2.960) 19.864 12.474 ( -7.028 -1.574 0.290) 7.208 12.676 ( 4.182 -1.860 -2.196) 5.077 12.947 ( 8.806 11.854 4.139) 15.336 13.284 ( -6.296 21.715 -7.430) 23.799 14.471 ( -1.267 -5.229 -0.661) 5.421 14.678 ( 3.682 -1.893 3.407) 5.362 15.168 ( -2.878 13.706 2.091) 14.160 15.826 ( 1.644 -9.691 -1.939) 10.019 16.240 ( 0.151 -1.086 0.201) 1.115 16.434 ( -0.159 1.407 -0.075) 1.418 16.479 ( -0.414 3.073 -1.902) 3.638 16.949 ( -0.045 2.246 0.399) 2.281 ======================= Grid point 426 (202/226) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 8.297 8.116 -1.019) 11.651 1.720 ( -1.919 0.199 8.561) 8.775 2.315 ( 8.204 28.993 -1.901) 30.191 2.666 ( -0.924 -3.857 -1.138) 4.126 3.866 ( -3.161 -2.281 1.871) 4.324 4.051 ( 0.144 -2.675 -3.754) 4.612 4.789 ( 1.050 3.767 -0.013) 3.910 4.915 ( -5.632 -18.030 2.626) 19.071 5.107 ( -8.586 -13.917 -1.936) 16.467 5.706 ( -2.641 -1.285 -1.615) 3.352 5.748 ( 5.836 -3.180 -1.504) 6.814 5.989 ( 0.094 -9.932 4.516) 10.911 6.397 ( 4.342 -2.540 5.682) 7.589 6.763 ( -6.175 6.373 -2.185) 9.139 7.006 ( -2.581 -5.296 -2.988) 6.606 7.155 ( 5.119 3.138 1.271) 6.137 7.599 ( -4.460 6.693 -0.458) 8.056 8.685 ( 7.148 13.810 -1.651) 15.638 12.350 ( -6.480 -2.057 2.642) 7.293 12.775 ( 10.702 -2.550 -2.735) 11.337 13.155 ( 0.230 11.326 -0.597) 11.344 13.430 ( 4.554 20.429 -2.304) 21.057 14.390 ( -2.329 -5.096 -0.135) 5.605 14.725 ( 2.191 -1.476 0.468) 2.683 15.310 ( 2.089 12.687 5.740) 14.081 15.716 ( -1.887 -7.747 -5.260) 9.552 16.242 ( 0.880 -1.111 0.213) 1.434 16.447 ( 0.470 0.970 0.411) 1.154 16.492 ( -0.014 3.010 -1.913) 3.567 16.970 ( 0.082 1.306 0.373) 1.360 ======================= Grid point 427 (203/226) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 7.443 13.728 -1.941) 15.736 1.755 ( 0.692 2.021 4.666) 5.132 2.572 ( -4.206 -4.411 -0.939) 6.167 2.724 ( 13.031 20.756 -2.385) 24.623 3.802 ( -3.042 -3.671 3.269) 5.781 4.035 ( 1.569 -1.102 0.496) 1.981 4.666 ( -10.387 -11.200 3.216) 15.610 4.792 ( -6.378 -17.446 -3.737) 18.948 4.884 ( 2.598 4.297 1.731) 5.312 5.578 ( -5.431 -4.794 -6.325) 9.617 5.767 ( 0.056 -1.209 -3.283) 3.499 5.969 ( 2.281 -3.632 2.496) 4.962 6.489 ( 2.803 -0.496 6.325) 6.936 6.674 ( -4.672 -0.635 -0.707) 4.768 6.925 ( -0.915 -3.702 -2.827) 4.747 7.278 ( 4.204 4.117 1.719) 6.130 7.576 ( -3.943 3.736 1.102) 5.542 8.907 ( 7.154 9.323 -0.948) 11.790 12.264 ( -3.453 -2.605 3.232) 5.399 12.898 ( 6.009 0.229 -1.409) 6.176 13.231 ( 0.734 10.748 -4.471) 11.664 13.707 ( 8.394 12.598 2.219) 15.300 14.298 ( -2.827 -5.767 0.037) 6.423 14.734 ( 0.329 0.417 -1.190) 1.303 15.442 ( -3.602 -2.744 7.589) 8.837 15.647 ( 5.107 6.432 -6.818) 10.674 16.244 ( 0.609 -0.967 -0.715) 1.348 16.473 ( 0.886 0.730 1.385) 1.799 16.517 ( 1.006 3.611 -2.027) 4.261 16.975 ( -0.420 -0.171 0.545) 0.709 ======================= Grid point 428 (204/226) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 1.727 12.377 -1.558) 12.594 1.852 ( 4.057 9.186 2.752) 10.412 2.416 ( -7.552 -6.440 -1.108) 9.986 3.094 ( 14.500 10.587 -1.210) 17.995 3.746 ( -0.905 -4.374 2.607) 5.172 4.065 ( 0.258 -1.960 3.304) 3.850 4.418 ( -9.699 -4.728 1.574) 10.905 4.569 ( 0.881 -13.875 -2.252) 14.084 4.985 ( 1.941 4.434 2.637) 5.512 5.373 ( -8.440 -5.366 -9.595) 13.859 5.726 ( -1.322 -0.023 -3.448) 3.693 5.986 ( 0.307 0.371 -0.570) 0.746 6.474 ( -8.200 4.472 1.752) 9.504 6.682 ( 7.277 -8.751 6.668) 13.191 6.865 ( -0.044 -2.998 -3.447) 4.569 7.363 ( -2.648 7.437 2.771) 8.366 7.576 ( 3.113 -2.718 0.821) 4.213 9.068 ( 4.174 6.495 -0.927) 7.776 12.223 ( -0.818 -2.790 2.843) 4.067 12.943 ( -2.329 5.858 -1.608) 6.506 13.355 ( 6.798 6.133 -2.882) 9.599 13.928 ( 6.352 5.631 2.627) 8.885 14.191 ( -3.022 -6.660 0.123) 7.315 14.745 ( 0.031 2.832 -0.378) 2.857 15.286 ( -7.320 -8.350 -0.539) 11.117 15.844 ( 7.735 8.889 0.637) 11.800 16.234 ( 0.134 -0.664 -2.113) 2.219 16.492 ( -0.249 0.423 1.210) 1.306 16.584 ( 3.502 4.709 -0.922) 5.941 16.958 ( -1.082 -1.686 0.705) 2.124 ======================= Grid point 435 (205/226) ======================= q-point: ( 0.36 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -6.233 11.252 6.525) 14.423 1.729 ( 0.311 0.262 8.072) 8.082 2.315 ( -19.860 20.155 -1.637) 28.343 2.636 ( 3.516 -4.176 -0.040) 5.460 3.991 ( -0.162 -0.356 -1.786) 1.828 4.085 ( 0.607 0.252 -8.606) 8.631 4.804 ( 2.368 1.624 0.263) 2.883 4.911 ( 15.393 -8.415 1.182) 17.582 5.129 ( 3.157 -15.377 -1.927) 15.816 5.551 ( -0.580 -8.254 5.945) 10.189 5.710 ( 1.637 -2.007 0.770) 2.702 6.015 ( 2.924 -5.842 3.060) 7.214 6.568 ( -2.228 0.534 0.576) 2.362 6.617 ( 3.526 4.342 2.364) 6.073 6.942 ( 2.709 -3.865 -0.246) 4.726 7.208 ( 2.840 4.627 -1.374) 5.601 7.603 ( -5.119 3.004 -0.679) 5.974 8.734 ( -10.851 11.776 -4.243) 16.565 12.496 ( 0.390 -3.478 -5.089) 6.176 12.686 ( 6.014 6.860 1.883) 9.315 13.029 ( -16.410 1.713 4.327) 17.057 13.532 ( -8.189 16.727 -6.116) 19.602 14.383 ( 5.032 -4.124 0.622) 6.536 14.696 ( -3.059 -1.572 1.564) 3.779 15.336 ( -5.172 9.776 4.474) 11.931 15.688 ( 3.721 -5.938 -3.269) 7.733 16.259 ( -0.807 -1.549 -0.915) 1.972 16.448 ( -0.937 0.887 0.599) 1.422 16.495 ( -0.365 3.061 -2.696) 4.095 16.964 ( -0.708 1.081 0.709) 1.474 ======================= Grid point 436 (206/226) ======================= q-point: ( 0.45 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -5.179 10.566 4.636) 12.647 1.764 ( 0.150 -1.961 5.889) 6.208 2.309 ( -7.700 28.809 -1.576) 29.862 2.642 ( 2.053 -4.489 0.176) 4.939 3.940 ( -0.935 -2.031 -2.830) 3.607 4.061 ( -0.558 0.066 -4.581) 4.615 4.817 ( -1.881 3.065 -1.991) 4.111 4.969 ( 0.513 -19.475 -1.026) 19.509 5.088 ( 14.055 -11.433 0.135) 18.119 5.514 ( 1.645 -8.352 7.349) 11.246 5.743 ( 1.945 -1.104 1.842) 2.897 5.993 ( -0.118 -7.035 3.521) 7.868 6.442 ( -7.459 -3.385 3.297) 8.829 6.786 ( 5.438 7.556 -3.508) 9.948 6.974 ( 4.456 -3.110 0.825) 5.497 7.227 ( -5.441 2.700 -2.306) 6.497 7.581 ( 2.156 4.078 -2.578) 5.284 8.696 ( -6.956 14.501 -1.762) 16.179 12.437 ( 2.666 -3.945 -5.332) 7.148 12.778 ( -11.436 -1.537 3.221) 11.980 12.959 ( 5.708 14.155 4.483) 15.907 13.547 ( -6.602 19.003 -6.231) 21.060 14.407 ( 2.554 -4.978 -0.759) 5.646 14.661 ( -0.757 -1.228 3.780) 4.046 15.376 ( -4.959 13.204 2.313) 14.293 15.671 ( 4.104 -9.203 -2.483) 10.378 16.236 ( -0.357 -1.175 0.527) 1.336 16.448 ( -0.554 0.946 0.541) 1.222 16.503 ( -0.384 3.073 -2.910) 4.249 16.971 ( -0.213 1.325 0.234) 1.362 ======================= Grid point 437 (207/226) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 1.677 8.831 0.216) 8.992 1.770 ( -0.513 -1.316 3.685) 3.947 2.540 ( 0.206 31.368 -1.279) 31.395 2.616 ( 0.537 -5.427 -0.665) 5.494 3.916 ( -0.638 -0.403 1.614) 1.782 4.007 ( -1.641 -2.275 -2.926) 4.053 4.755 ( 0.566 -18.599 -1.148) 18.643 4.831 ( -1.768 2.675 -1.340) 3.475 5.101 ( -1.175 -10.741 0.676) 10.826 5.560 ( 9.077 -8.703 5.591) 13.761 5.725 ( -2.591 -3.447 -0.789) 4.384 5.936 ( -1.112 -6.310 3.277) 7.196 6.359 ( -0.536 -2.856 3.000) 4.176 6.867 ( -0.494 6.221 -4.377) 7.623 6.989 ( -1.163 -5.501 -0.434) 5.639 7.137 ( -1.746 2.745 -1.519) 3.590 7.679 ( 2.545 6.750 -2.071) 7.505 8.758 ( -0.787 12.693 0.571) 12.730 12.438 ( 0.245 -1.537 -1.051) 1.878 12.630 ( -2.478 -1.968 0.606) 3.222 13.217 ( 5.717 11.754 3.342) 13.492 13.605 ( -3.820 19.242 -5.082) 20.265 14.362 ( -0.852 -5.580 -1.084) 5.748 14.686 ( 1.905 -1.040 3.248) 3.906 15.464 ( -1.744 13.675 4.181) 14.406 15.608 ( 1.407 -9.202 -4.998) 10.566 16.230 ( 0.082 -0.937 1.399) 1.685 16.454 ( -0.110 0.962 0.550) 1.114 16.509 ( -0.158 2.989 -2.786) 4.089 16.982 ( 0.026 0.962 0.010) 0.963 ======================= Grid point 438 (208/226) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 10.561 10.717 -1.929) 15.169 1.783 ( 0.691 1.250 2.172) 2.599 2.545 ( -0.934 -7.514 -1.782) 7.778 2.832 ( 1.854 27.305 -1.915) 27.435 3.877 ( -5.736 -1.617 4.169) 7.273 3.989 ( 3.158 -1.486 0.912) 3.607 4.568 ( -0.634 -17.163 -1.983) 17.289 4.864 ( -4.890 -1.330 1.633) 5.324 4.902 ( -5.392 -3.646 1.553) 6.691 5.593 ( -5.248 -4.657 -4.476) 8.322 5.661 ( 7.746 -7.027 -0.518) 10.471 5.897 ( 1.290 -5.520 4.038) 6.960 6.399 ( 5.657 -3.127 3.846) 7.521 6.800 ( -8.357 0.311 -3.129) 8.929 6.912 ( -1.593 0.277 -3.721) 4.057 7.204 ( 5.850 1.220 0.095) 5.977 7.723 ( -4.024 6.364 -0.129) 7.530 8.900 ( 4.159 9.326 1.535) 10.326 12.362 ( -7.066 -0.657 3.776) 8.039 12.703 ( 11.467 -1.799 -2.393) 11.851 13.361 ( -1.674 11.524 -0.961) 11.684 13.739 ( 2.797 13.649 -0.961) 13.966 14.275 ( -2.048 -6.535 -0.800) 6.895 14.724 ( 1.478 0.451 1.552) 2.190 15.466 ( -2.925 -10.604 -1.410) 11.090 15.642 ( 3.400 14.038 0.685) 14.460 16.230 ( -0.019 -0.933 0.987) 1.358 16.471 ( 0.751 0.429 1.052) 1.362 16.528 ( 0.516 3.982 -2.424) 4.690 16.985 ( -0.411 0.105 0.129) 0.443 ======================= Grid point 439 (209/226) ======================= q-point: (-0.27 -0.45 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 10.266 12.580 -1.964) 16.356 1.853 ( 4.631 3.855 1.766) 6.279 2.426 ( -2.946 -8.213 -2.654) 9.120 3.071 ( 2.839 18.075 -1.941) 18.399 3.786 ( -5.044 -2.738 3.515) 6.730 4.023 ( 0.662 -7.120 2.443) 7.556 4.438 ( 2.427 -6.749 0.172) 7.174 4.595 ( -14.617 -4.559 4.159) 15.867 4.989 ( 3.937 3.515 2.033) 5.656 5.408 ( -7.844 -4.235 -7.218) 11.470 5.678 ( 3.249 -4.054 -5.511) 7.573 5.923 ( 4.382 -4.844 3.445) 7.384 6.501 ( 8.192 -5.841 4.598) 11.062 6.652 ( -8.161 0.973 -0.750) 8.253 6.852 ( -3.073 -0.005 -4.663) 5.585 7.325 ( 7.742 0.823 -0.743) 7.821 7.679 ( -7.843 4.518 2.022) 9.274 9.058 ( 4.543 6.426 1.324) 7.981 12.278 ( -5.161 -0.540 3.853) 6.464 12.873 ( 10.919 -0.387 -1.600) 11.042 13.413 ( -2.995 12.162 -2.367) 12.747 13.895 ( 4.722 5.079 0.564) 6.958 14.169 ( -2.610 -6.864 -0.541) 7.363 14.767 ( 1.155 2.632 1.622) 3.301 15.285 ( -4.870 -10.036 -4.606) 12.069 15.842 ( 4.928 10.377 3.173) 11.918 16.220 ( -0.372 -0.836 -0.463) 1.025 16.493 ( 0.936 -0.429 1.388) 1.728 16.581 ( 1.980 5.500 -1.493) 6.033 16.970 ( -1.285 -0.895 0.452) 1.630 ======================= Grid point 446 (210/226) ======================= q-point: ( 0.36 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -5.759 14.638 3.720) 16.164 1.780 ( -0.896 2.747 2.592) 3.881 2.513 ( 6.371 -5.515 1.892) 8.636 2.815 ( -21.788 13.967 0.027) 25.881 3.950 ( 1.319 -4.614 -3.942) 6.211 4.043 ( 1.596 3.241 -5.457) 6.544 4.527 ( 14.132 -8.760 2.692) 16.843 4.885 ( -1.769 2.570 -0.849) 3.234 4.950 ( 0.741 -11.116 -3.703) 11.740 5.508 ( -0.544 -9.040 5.279) 10.483 5.638 ( 6.612 -1.867 1.655) 7.067 5.941 ( 3.903 -1.088 -0.660) 4.105 6.464 ( 9.426 4.388 -3.626) 11.011 6.730 ( -7.152 -3.192 5.781) 9.734 6.862 ( 1.874 -4.131 1.123) 4.673 7.203 ( 3.084 5.319 0.238) 6.153 7.720 ( -6.222 1.540 0.137) 6.411 8.945 ( -7.020 7.524 -3.552) 10.886 12.436 ( -1.777 -5.434 -4.756) 7.436 12.667 ( 6.416 8.637 1.828) 10.914 13.324 ( -13.971 2.925 3.118) 14.610 13.750 ( -6.042 10.080 -2.062) 11.932 14.263 ( 4.938 -4.894 0.626) 6.980 14.741 ( -2.085 1.054 -0.209) 2.346 15.375 ( 6.966 -5.740 6.761) 11.278 15.713 ( -8.566 7.811 -5.124) 12.674 16.249 ( -0.410 -1.580 -1.260) 2.062 16.484 ( -0.314 1.293 0.676) 1.492 16.512 ( -1.865 2.656 -1.922) 3.772 16.982 ( -0.278 0.073 0.578) 0.646 ======================= Grid point 447 (211/226) ======================= q-point: ( 0.45 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -8.250 14.565 3.719) 17.147 1.789 ( -1.674 1.815 0.810) 2.598 2.547 ( 3.067 -6.188 1.802) 7.138 2.702 ( -10.791 21.272 0.149) 23.853 3.878 ( 0.842 -5.099 -5.424) 7.492 4.069 ( -0.139 3.175 -3.383) 4.641 4.708 ( 15.858 -10.772 0.926) 19.193 4.748 ( 0.884 -18.227 -1.294) 18.294 4.920 ( -2.330 4.943 -2.442) 5.985 5.458 ( 0.588 -9.584 7.603) 12.248 5.709 ( 2.303 -1.426 3.573) 4.484 5.975 ( 0.559 -1.194 1.453) 1.962 6.557 ( -7.659 -2.601 0.101) 8.090 6.684 ( 9.971 3.524 -3.076) 11.013 6.882 ( 3.425 -3.260 1.803) 5.061 7.300 ( 0.563 5.797 -0.760) 5.873 7.604 ( -4.923 -0.686 -2.090) 5.392 8.910 ( -5.958 10.059 -1.319) 11.766 12.337 ( 0.504 -4.929 -5.099) 7.110 12.866 ( 3.149 5.941 2.278) 7.100 13.151 ( -11.097 6.813 4.468) 13.767 13.762 ( -4.452 13.353 -3.888) 14.603 14.298 ( 4.590 -5.337 0.183) 7.041 14.709 ( -2.983 0.733 1.663) 3.493 15.453 ( 6.085 -8.782 5.641) 12.082 15.643 ( -7.143 11.629 -5.385) 14.672 16.231 ( 0.026 -1.134 0.608) 1.287 16.484 ( -1.613 1.455 1.342) 2.554 16.514 ( -0.063 2.845 -2.961) 4.107 16.980 ( -0.015 -0.119 0.075) 0.141 ======================= Grid point 448 (212/226) ======================= q-point: ( 0.55 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -10.054 10.558 1.458) 14.652 1.783 ( -0.848 1.300 -0.332) 1.587 2.526 ( 1.807 -7.932 0.340) 8.142 2.842 ( -2.115 27.185 0.137) 27.267 3.855 ( 3.964 -2.698 -2.768) 5.537 4.048 ( -3.299 0.834 -1.209) 3.611 4.561 ( 0.637 -16.639 -2.404) 16.824 4.883 ( 10.696 -8.646 -0.065) 13.754 4.907 ( 0.157 2.456 -0.353) 2.487 5.429 ( 1.531 -10.836 9.332) 14.382 5.721 ( -0.728 -3.017 1.782) 3.579 5.949 ( -2.935 -2.141 2.269) 4.284 6.397 ( -6.224 -3.581 0.324) 7.187 6.839 ( 6.104 4.107 -6.325) 9.702 6.925 ( 3.551 -3.262 2.160) 5.284 7.235 ( -8.315 0.987 -3.138) 8.942 7.640 ( 6.375 5.125 -2.024) 8.426 8.919 ( -4.358 9.613 1.267) 10.630 12.324 ( 5.299 -2.289 -3.779) 6.899 12.783 ( -11.703 -1.612 2.868) 12.157 13.260 ( 4.513 12.158 3.724) 13.493 13.801 ( -3.707 14.107 -4.587) 15.290 14.298 ( 1.700 -5.548 -1.023) 5.892 14.692 ( -0.992 0.077 3.455) 3.595 15.448 ( 3.351 -11.328 -0.719) 11.835 15.661 ( -3.810 14.519 -0.278) 15.013 16.232 ( 0.085 -0.751 2.081) 2.214 16.477 ( -1.128 0.680 0.524) 1.418 16.525 ( -0.257 3.764 -2.414) 4.479 16.982 ( 0.482 -0.194 -0.270) 0.586 ======================= Grid point 449 (213/226) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 0.319 9.462 -0.669) 9.491 1.789 ( 0.412 1.878 -0.560) 2.003 2.458 ( 0.421 -9.560 -1.490) 9.685 3.078 ( -0.712 25.781 -0.805) 25.804 3.913 ( 4.745 -1.414 -0.076) 4.951 3.971 ( -4.538 -1.369 2.221) 5.234 4.429 ( -0.172 -10.684 -1.611) 10.806 4.891 ( 0.343 2.570 -1.052) 2.798 4.952 ( 0.016 -6.004 2.448) 6.484 5.418 ( 6.463 -14.586 7.443) 17.604 5.635 ( -5.625 -3.775 -2.071) 7.084 5.888 ( -2.325 -2.727 2.165) 4.186 6.329 ( 1.014 -2.466 0.347) 2.688 6.881 ( -3.086 -1.061 -1.362) 3.536 6.912 ( 0.028 1.173 -4.962) 5.099 7.154 ( 0.319 1.160 -1.988) 2.324 7.775 ( 3.640 5.463 -1.706) 6.782 8.969 ( -0.790 7.740 3.142) 8.390 12.409 ( 6.578 -0.040 -0.781) 6.624 12.613 ( -7.081 -1.515 1.949) 7.499 13.445 ( 3.124 9.134 1.773) 9.815 13.851 ( -2.313 12.075 -4.083) 12.955 14.239 ( -1.269 -5.873 -1.224) 6.132 14.716 ( 1.256 0.111 3.307) 3.540 15.359 ( 0.430 -11.018 -4.207) 11.802 15.766 ( -0.466 13.166 2.505) 13.411 16.237 ( -0.445 -0.682 2.580) 2.705 16.469 ( -0.065 -0.305 0.016) 0.313 16.553 ( -0.007 5.196 -1.560) 5.425 16.986 ( 0.376 -0.326 -0.271) 0.567 ======================= Grid point 450 (214/226) ======================= q-point: (-0.27 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 12.275 8.238 -1.196) 14.831 1.832 ( 2.463 3.047 -0.328) 3.932 2.349 ( -0.879 -10.106 -2.885) 10.547 3.257 ( -2.582 19.088 -1.477) 19.319 3.849 ( -4.106 -3.542 0.167) 5.425 3.989 ( -1.959 -3.747 2.842) 5.094 4.369 ( 2.874 -0.260 2.222) 3.642 4.820 ( -12.296 -2.463 5.877) 13.849 4.953 ( 4.257 2.413 0.541) 4.923 5.445 ( 10.686 -15.175 -0.539) 18.568 5.470 ( -7.959 -2.826 -4.673) 9.652 5.864 ( 0.527 -2.580 3.011) 4.000 6.362 ( 5.275 -3.523 0.646) 6.376 6.766 ( -6.606 -1.052 0.827) 6.740 6.888 ( -2.564 2.729 -7.531) 8.411 7.212 ( 5.816 0.636 -1.173) 5.967 7.818 ( -2.872 3.828 -0.419) 4.804 9.067 ( 2.495 5.477 3.376) 6.901 12.406 ( -7.090 0.638 3.625) 7.989 12.660 ( 11.918 -0.487 -1.253) 11.994 13.547 ( -0.596 8.288 -0.257) 8.314 13.896 ( -0.397 5.169 -3.092) 6.037 14.152 ( -2.195 -4.514 -0.107) 5.021 14.768 ( 2.341 1.083 2.581) 3.649 15.213 ( -2.256 -10.653 -5.802) 12.339 15.905 ( 1.801 9.994 3.224) 10.655 16.229 ( -1.265 -0.679 1.674) 2.206 16.474 ( 1.150 -1.066 0.662) 1.702 16.606 ( 0.782 6.279 -1.043) 6.413 16.981 ( -0.482 -0.537 0.031) 0.723 ======================= Grid point 534 (215/226) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.000 -0.000 8.821) 8.821 0.982 ( 0.000 -0.000 8.821) 8.821 1.852 ( 0.000 -0.000 15.581) 15.581 2.762 ( -0.000 0.000 -2.891) 2.891 4.071 ( -0.000 0.000 -7.487) 7.487 4.071 ( -0.000 0.000 -7.487) 7.487 4.879 ( -0.000 0.000 -5.802) 5.802 5.573 ( 0.000 -0.000 3.459) 3.459 5.573 ( 0.000 -0.000 3.459) 3.459 5.676 ( 0.000 -0.000 2.784) 2.784 5.676 ( 0.000 -0.000 2.784) 2.784 6.452 ( 0.000 0.000 0.404) 0.404 6.452 ( -0.000 -0.000 0.404) 0.404 6.584 ( -0.000 0.000 -0.068) 0.068 6.966 ( -0.000 0.000 -2.081) 2.081 7.466 ( -0.000 0.000 -1.225) 1.225 7.466 ( -0.000 0.000 -1.225) 1.225 7.583 ( 0.000 -0.000 2.145) 2.145 12.537 ( 0.000 -0.000 0.533) 0.533 12.537 ( -0.000 -0.000 0.533) 0.533 12.794 ( -0.000 0.000 -1.588) 1.588 12.794 ( -0.000 0.000 -1.588) 1.588 14.707 ( -0.000 0.000 -1.154) 1.154 14.721 ( 0.000 -0.000 2.907) 2.907 14.721 ( 0.000 -0.000 2.907) 2.907 16.132 ( 0.000 -0.000 1.176) 1.176 16.276 ( -0.000 0.000 -0.980) 0.980 16.276 ( -0.000 0.000 -0.980) 0.980 16.455 ( 0.000 -0.000 0.089) 0.089 16.879 ( 0.000 -0.000 0.724) 0.724 ======================= Grid point 535 (216/226) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -2.568 7.506 7.794) 11.122 1.323 ( 25.059 6.969 5.138) 26.512 1.890 ( -3.194 -1.188 10.060) 10.622 2.737 ( -1.120 -0.390 -2.035) 2.356 3.996 ( -0.237 -2.565 -3.419) 4.281 4.073 ( 0.816 2.115 -7.570) 7.902 4.803 ( -2.789 -2.333 -3.648) 5.151 5.428 ( -12.011 -9.250 3.565) 15.573 5.529 ( -7.260 -4.540 1.522) 8.697 5.649 ( 0.700 2.350 3.967) 4.663 5.757 ( -0.473 3.443 -1.172) 3.668 6.391 ( -11.058 -6.222 3.633) 13.198 6.467 ( 2.511 -2.943 2.230) 4.466 6.526 ( 1.507 4.134 -0.890) 4.489 6.985 ( 1.960 1.979 -0.665) 2.863 7.248 ( -6.736 -4.891 -1.398) 8.441 7.461 ( 1.939 -0.578 -0.244) 2.038 8.051 ( 24.423 14.688 -3.092) 28.667 12.489 ( 0.559 -6.787 1.245) 6.923 12.688 ( 3.124 13.839 -1.880) 14.311 12.800 ( 1.577 5.783 0.993) 6.076 12.896 ( 13.967 -1.779 -4.020) 14.643 14.565 ( -5.571 -4.537 0.694) 7.218 14.742 ( -2.075 3.635 1.497) 4.445 14.907 ( 11.401 2.917 1.537) 11.868 16.006 ( -8.990 -4.467 0.394) 10.046 16.278 ( 0.037 0.442 -1.158) 1.240 16.350 ( 4.756 1.963 -0.340) 5.156 16.454 ( -0.160 -0.037 -0.083) 0.184 16.904 ( 1.700 0.956 0.589) 2.037 ======================= Grid point 536 (217/226) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 2.509 6.414 4.681) 8.328 1.762 ( 5.179 -1.357 10.398) 11.695 1.980 ( 19.614 13.077 -3.236) 23.795 2.692 ( -2.922 -1.059 -0.624) 3.170 3.962 ( 0.864 -4.291 -0.507) 4.407 4.053 ( -0.743 2.149 -6.493) 6.879 4.758 ( 1.138 -0.304 -1.034) 1.568 5.104 ( -17.164 -11.966 3.409) 21.199 5.339 ( -10.424 -4.961 -0.584) 11.559 5.673 ( -1.673 0.375 2.212) 2.799 5.757 ( -2.311 3.397 -1.415) 4.345 6.154 ( -10.420 -5.460 1.255) 11.831 6.484 ( 0.320 -5.006 -1.540) 5.247 6.624 ( 4.482 4.716 5.020) 8.218 7.030 ( -2.182 4.593 1.857) 5.414 7.130 ( -0.881 -4.844 -2.728) 5.629 7.524 ( 5.722 0.351 0.822) 5.792 8.495 ( 17.879 10.740 -3.852) 21.210 12.445 ( 1.422 -7.372 1.342) 7.626 12.712 ( -5.502 7.280 -3.455) 9.757 13.023 ( 8.698 9.525 3.008) 13.245 13.178 ( 21.291 5.267 -4.690) 22.429 14.450 ( -4.937 -3.248 0.700) 5.951 14.741 ( -1.493 1.800 -0.063) 2.339 15.154 ( 13.162 4.843 2.428) 14.234 15.810 ( -9.642 -4.353 -0.723) 10.603 16.272 ( -0.219 0.317 -1.465) 1.514 16.424 ( 2.754 0.932 0.255) 2.919 16.454 ( 0.465 0.348 -0.510) 0.773 16.946 ( 1.728 0.936 0.565) 2.045 ======================= Grid point 537 (218/226) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 7.284 5.691 2.214) 9.505 1.773 ( -0.542 -1.472 3.354) 3.702 2.531 ( 25.341 14.855 -0.029) 29.374 2.608 ( -4.496 -1.606 -0.067) 4.775 3.935 ( 1.470 -5.124 0.031) 5.331 4.018 ( -2.241 2.262 -4.684) 5.664 4.723 ( -17.446 -10.646 2.819) 20.631 4.813 ( 3.836 1.706 0.387) 4.216 5.123 ( -9.155 -4.823 -1.539) 10.462 5.623 ( -3.271 -4.086 -1.554) 5.460 5.712 ( -6.242 2.050 0.150) 6.572 5.981 ( -5.899 -2.874 -1.610) 6.757 6.402 ( -2.731 -3.952 -2.032) 5.216 6.771 ( 4.745 2.674 6.762) 8.682 6.981 ( -6.955 2.317 0.359) 7.340 7.120 ( 2.513 -1.360 0.420) 2.888 7.648 ( 7.652 0.323 1.502) 7.805 8.792 ( 11.320 7.227 -3.284) 13.826 12.416 ( 2.346 -6.789 1.218) 7.285 12.662 ( -5.800 5.960 -2.770) 8.766 13.253 ( 10.812 4.533 -0.453) 11.732 13.550 ( 15.921 9.384 0.747) 18.495 14.345 ( -5.353 -2.559 0.845) 5.993 14.730 ( -0.219 0.085 -1.797) 1.812 15.420 ( 8.249 3.018 6.767) 11.088 15.629 ( -4.266 -1.137 -5.119) 6.759 16.259 ( -0.494 0.204 -1.946) 2.018 16.465 ( 1.087 0.165 0.163) 1.111 16.475 ( 2.004 1.400 0.274) 2.460 16.977 ( 0.876 0.328 0.559) 1.090 ======================= Grid point 546 (219/226) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 6.847 2.286 4.612) 8.566 1.329 ( -6.015 24.975 4.497) 26.080 1.939 ( 0.475 -4.833 7.373) 8.829 2.728 ( 0.170 -0.766 -1.584) 1.768 3.963 ( -1.522 -2.221 -2.027) 3.370 4.049 ( 1.019 2.420 -5.839) 6.402 4.787 ( -0.447 -2.903 -2.755) 4.027 5.484 ( -2.907 -12.496 3.067) 13.191 5.509 ( 0.589 -10.339 -0.166) 10.357 5.656 ( 2.116 0.594 3.552) 4.177 5.753 ( 2.101 1.093 -0.772) 2.491 6.392 ( 0.010 -14.252 2.876) 14.540 6.429 ( -1.128 -2.608 2.960) 4.103 6.576 ( 0.499 8.419 -1.964) 8.660 6.987 ( 0.434 3.809 -0.564) 3.875 7.236 ( -0.903 -8.653 -0.879) 8.745 7.488 ( -0.649 3.007 -1.660) 3.496 8.020 ( 0.305 26.483 -1.218) 26.512 12.511 ( -5.936 -1.937 1.066) 6.334 12.649 ( 7.344 5.779 -1.485) 9.463 12.788 ( 4.333 4.741 1.971) 6.718 12.906 ( -5.771 12.687 -4.022) 14.507 14.577 ( -1.106 -6.506 -0.201) 6.603 14.728 ( 3.077 -1.473 2.486) 4.221 14.927 ( -2.063 12.104 0.513) 12.289 16.012 ( 0.437 -9.913 0.119) 9.924 16.257 ( 0.133 -0.662 -0.101) 0.683 16.359 ( -0.352 5.575 -0.755) 5.637 16.454 ( 0.036 -0.094 -0.128) 0.163 16.908 ( -0.013 2.073 0.383) 2.109 ======================= Grid point 547 (220/226) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 1.980 5.752 -1.774) 6.337 1.681 ( 11.455 18.508 9.054) 23.574 1.924 ( 1.322 2.290 -1.105) 2.866 2.707 ( -0.943 -1.353 -0.912) 1.884 3.923 ( -0.792 -2.619 1.283) 3.022 4.046 ( 0.314 0.893 -4.275) 4.379 4.748 ( -0.102 0.084 -0.436) 0.456 5.247 ( -11.169 -14.503 4.114) 18.762 5.358 ( -5.001 -13.294 -1.755) 14.312 5.702 ( -1.489 0.684 0.060) 1.640 5.765 ( 1.955 -0.102 -2.782) 3.402 6.217 ( -6.026 -12.319 1.100) 13.758 6.461 ( 2.646 -0.479 4.697) 5.413 6.633 ( -0.104 5.960 -1.426) 6.129 7.043 ( 1.669 2.031 -1.800) 3.186 7.141 ( -1.221 -3.083 1.162) 3.514 7.496 ( -0.899 3.622 0.222) 3.738 8.363 ( 12.328 19.145 -1.708) 22.835 12.420 ( -3.788 -3.686 3.183) 6.170 12.808 ( 11.268 -2.580 -3.075) 11.962 12.905 ( -4.539 13.935 -6.330) 15.964 13.059 ( 11.501 17.202 4.202) 21.115 14.483 ( -3.149 -4.915 0.561) 5.864 14.750 ( 0.368 -1.227 -1.199) 1.755 15.087 ( 6.253 12.021 2.661) 13.809 15.870 ( -5.522 -9.154 -0.946) 10.732 16.258 ( 0.512 -0.689 -0.428) 0.959 16.411 ( 1.425 3.355 0.146) 3.648 16.453 ( 0.025 0.321 -0.395) 0.510 16.939 ( 1.019 1.948 0.268) 2.214 ======================= Grid point 548 (221/226) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 3.358 10.974 -2.101) 11.667 1.788 ( -1.301 -2.792 3.291) 4.508 2.301 ( 21.268 21.646 -0.859) 30.358 2.650 ( -3.182 -3.044 -0.687) 4.457 3.891 ( -0.987 -3.658 2.574) 4.581 4.036 ( -0.062 0.683 -1.401) 1.560 4.793 ( 2.176 3.257 0.958) 4.032 4.917 ( -16.035 -11.586 4.107) 20.204 5.118 ( -4.773 -16.563 -2.471) 17.413 5.622 ( -4.419 -3.448 -5.005) 7.514 5.774 ( -0.430 -0.483 -1.907) 2.014 6.035 ( -5.363 -4.621 -1.272) 7.192 6.469 ( -5.338 3.069 0.404) 6.171 6.715 ( 6.451 -0.827 4.290) 7.791 7.002 ( -0.640 -5.499 -2.337) 6.009 7.183 ( -0.859 7.185 2.741) 7.738 7.543 ( 3.839 0.520 1.696) 4.229 8.693 ( 10.513 12.622 -1.302) 16.479 12.357 ( -1.362 -5.079 3.866) 6.527 12.831 ( -5.970 7.494 -2.678) 9.948 13.048 ( 12.942 3.397 -5.760) 14.568 13.455 ( 13.396 16.085 4.450) 21.401 14.392 ( -3.513 -4.124 0.816) 5.479 14.722 ( -0.778 -0.575 -3.076) 3.224 15.355 ( 10.018 11.544 4.332) 15.887 15.673 ( -7.197 -8.224 -2.565) 11.226 16.251 ( -0.100 -0.488 -1.229) 1.326 16.460 ( 0.802 1.770 -0.077) 1.945 16.464 ( 1.351 1.113 0.823) 1.934 16.970 ( 0.836 0.864 0.289) 1.237 ======================= Grid point 557 (222/226) ======================= q-point: ( 0.45 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -1.955 5.045 6.263) 8.276 1.768 ( -15.248 25.714 1.181) 29.919 1.880 ( 2.951 -5.139 1.772) 6.185 2.701 ( 1.166 -1.803 -0.225) 2.159 3.968 ( -1.721 -2.260 -2.241) 3.619 4.020 ( 1.321 2.019 -2.970) 3.827 4.759 ( -0.124 0.671 -1.744) 1.873 5.301 ( 12.617 -11.559 -0.288) 17.114 5.324 ( 4.434 -15.867 0.499) 16.482 5.661 ( -1.245 -4.170 4.651) 6.369 5.739 ( 1.515 1.776 0.439) 2.375 6.205 ( 5.662 -12.672 2.293) 14.067 6.506 ( -5.682 -1.192 0.813) 5.863 6.620 ( 2.375 7.959 -0.966) 8.362 7.011 ( 1.122 0.472 1.548) 1.969 7.177 ( 0.615 -0.294 -2.660) 2.746 7.508 ( -1.628 2.608 -1.155) 3.284 8.361 ( -11.944 19.581 -1.556) 22.990 12.488 ( 1.044 -4.217 -4.544) 6.287 12.740 ( 5.076 11.048 4.357) 12.915 12.821 ( -12.340 -0.675 3.634) 12.881 13.145 ( -8.336 18.930 -5.705) 21.456 14.493 ( 3.401 -4.748 -0.540) 5.865 14.713 ( -0.321 -1.967 2.959) 3.568 15.118 ( -6.772 12.883 -0.822) 14.578 15.859 ( 5.902 -9.899 0.430) 11.533 16.255 ( -0.345 -0.772 -0.089) 0.850 16.418 ( -1.595 3.443 -0.514) 3.829 16.452 ( 0.024 0.378 -0.383) 0.539 16.940 ( -1.047 1.967 0.220) 2.239 ======================= Grid point 558 (223/226) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 1.069 4.694 -0.486) 4.839 1.855 ( -2.035 -3.094 5.073) 6.281 1.931 ( 1.424 29.522 -3.099) 29.718 2.691 ( 0.154 -2.535 -0.371) 2.566 3.941 ( -0.053 -0.885 2.259) 2.426 4.018 ( -0.327 -0.340 -2.712) 2.753 4.754 ( -0.269 1.697 -0.600) 1.820 5.152 ( 0.092 -21.012 -1.755) 21.085 5.318 ( -0.999 -11.619 1.295) 11.733 5.674 ( 4.067 -2.244 2.058) 5.080 5.754 ( -2.299 -0.138 -0.780) 2.432 6.141 ( 0.512 -13.183 2.521) 13.432 6.437 ( -0.111 -2.663 3.610) 4.487 6.706 ( -0.433 8.182 -4.161) 9.190 7.066 ( -0.961 4.149 -0.886) 4.350 7.095 ( -0.719 -6.078 -0.097) 6.121 7.548 ( 1.555 5.559 -1.857) 6.063 8.455 ( -0.382 20.256 0.721) 20.272 12.469 ( 1.219 -2.384 -1.054) 2.878 12.667 ( -3.796 -1.095 1.321) 4.166 13.016 ( 7.187 11.530 3.475) 14.024 13.180 ( -4.665 21.864 -4.424) 22.790 14.461 ( -0.310 -5.648 -0.600) 5.688 14.724 ( 0.822 -1.361 1.948) 2.515 15.180 ( -0.550 14.931 -0.533) 14.950 15.807 ( 0.238 -11.436 -0.397) 11.445 16.251 ( 0.013 -0.528 1.004) 1.134 16.431 ( -0.066 2.775 -0.321) 2.794 16.454 ( -0.025 0.920 -0.751) 1.188 16.952 ( 0.007 2.119 -0.064) 2.120 ======================= Grid point 559 (224/226) ======================= q-point: (-0.36 -0.45 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 7.042 9.044 -4.348) 12.259 1.801 ( -1.439 -2.671 0.279) 3.047 2.294 ( 8.166 29.016 0.055) 30.143 2.647 ( -1.348 -4.319 -1.059) 4.646 3.933 ( -3.667 -1.136 5.451) 6.668 4.010 ( 2.511 -0.794 -0.521) 2.684 4.796 ( 2.132 3.794 0.678) 4.405 4.935 ( -1.094 -21.029 -0.608) 21.066 5.097 ( -12.373 -11.697 1.061) 17.060 5.647 ( -5.656 -3.565 -4.950) 8.318 5.726 ( 2.711 -1.778 -1.073) 3.415 6.035 ( -1.678 -7.577 0.738) 7.796 6.498 ( 6.321 -3.117 5.867) 9.170 6.702 ( -4.456 5.245 -4.824) 8.404 6.961 ( -2.452 -4.774 -2.157) 5.784 7.181 ( 5.718 1.646 1.649) 6.175 7.596 ( -2.278 6.538 0.102) 6.924 8.684 ( 6.057 14.906 1.512) 16.160 12.413 ( -5.592 -2.090 4.521) 7.488 12.727 ( 11.230 -2.238 -2.803) 11.788 13.106 ( -5.521 14.017 -4.341) 15.678 13.447 ( 9.492 17.810 3.607) 20.502 14.388 ( -1.619 -5.812 -0.118) 6.035 14.719 ( -0.750 0.085 -1.020) 1.269 15.369 ( 5.782 14.846 0.821) 15.954 15.663 ( -4.147 -10.942 -0.742) 11.725 16.248 ( -0.433 -0.520 0.490) 0.835 16.461 ( 0.936 1.127 0.951) 1.747 16.465 ( 0.577 2.103 -0.917) 2.366 16.972 ( 0.343 1.276 -0.147) 1.330 ======================= Grid point 668 (225/226) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 0.000 -0.000 3.176) 3.176 1.086 ( 0.000 -0.000 3.176) 3.176 2.036 ( 0.000 -0.000 5.663) 5.663 2.724 ( -0.000 0.000 -1.323) 1.323 3.982 ( -0.000 0.000 -2.702) 2.702 3.982 ( -0.000 0.000 -2.702) 2.702 4.811 ( -0.000 0.000 -2.056) 2.056 5.615 ( 0.000 -0.000 1.377) 1.377 5.615 ( 0.000 -0.000 1.377) 1.377 5.706 ( 0.000 -0.000 0.782) 0.782 5.706 ( 0.000 -0.000 0.782) 0.782 6.457 ( 0.000 0.000 0.193) 0.193 6.457 ( 0.000 -0.000 0.193) 0.193 6.579 ( -0.000 0.000 -0.276) 0.276 6.943 ( -0.000 0.000 -0.652) 0.652 7.451 ( -0.000 0.000 -0.481) 0.481 7.451 ( -0.000 0.000 -0.481) 0.481 7.609 ( 0.000 -0.000 0.789) 0.789 12.546 ( 0.000 0.000 0.365) 0.365 12.546 ( 0.000 -0.000 0.365) 0.365 12.772 ( -0.000 0.000 -0.741) 0.741 12.772 ( -0.000 0.000 -0.741) 0.741 14.694 ( -0.000 0.000 -0.427) 0.427 14.756 ( 0.000 -0.000 1.077) 1.077 14.756 ( 0.000 -0.000 1.077) 1.077 16.146 ( 0.000 -0.000 0.435) 0.435 16.264 ( -0.000 0.000 -0.376) 0.376 16.264 ( -0.000 0.000 -0.376) 0.376 16.457 ( 0.000 -0.000 0.042) 0.042 16.888 ( 0.000 -0.000 0.263) 0.263 ======================= Grid point 669 (226/226) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 0.338 1.685 2.036) 2.665 1.367 ( 22.540 11.699 0.081) 25.395 1.990 ( -5.586 -3.102 1.523) 6.569 2.716 ( -0.470 -0.232 -0.304) 0.606 3.967 ( 0.176 -1.413 -1.498) 2.067 3.992 ( 0.831 1.872 -0.266) 2.065 4.767 ( -2.221 -1.379 -0.506) 2.662 5.480 ( -11.874 -7.784 2.385) 14.397 5.529 ( -8.205 -4.000 -1.327) 9.224 5.701 ( 0.355 -1.336 0.230) 1.402 5.731 ( 0.498 2.497 -0.088) 2.548 6.419 ( -12.335 -7.020 -0.181) 14.194 6.475 ( 1.125 -0.757 -2.075) 2.479 6.533 ( 5.787 4.402 2.553) 7.706 6.982 ( 3.298 2.179 0.106) 3.955 7.232 ( -8.240 -4.751 -0.408) 9.520 7.466 ( 2.150 0.651 0.834) 2.396 8.018 ( 22.665 13.265 -0.908) 26.278 12.513 ( -1.324 -3.248 1.042) 3.659 12.649 ( 3.349 6.458 -1.726) 7.477 12.824 ( 9.083 2.549 -0.829) 9.470 12.853 ( 6.792 4.569 0.978) 8.244 14.573 ( -5.802 -3.555 0.283) 6.811 14.753 ( -1.028 0.149 -0.374) 1.104 14.926 ( 10.467 5.482 0.638) 11.833 16.012 ( -8.941 -5.074 0.201) 10.282 16.262 ( -0.151 -0.033 -0.655) 0.673 16.350 ( 4.637 2.583 0.288) 5.316 16.453 ( -0.270 -0.144 0.009) 0.306 16.910 ( 1.731 0.996 0.109) 2.000 =================== 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 3/39930 10.0 919.057 919.057 791.578 0.000 -0.000 -0.000 3/39930 20.0 523.425 523.425 272.514 0.000 -0.000 -0.000 3/39930 30.0 262.562 262.562 115.652 0.000 -0.000 -0.000 3/39930 40.0 137.920 137.920 54.706 0.000 -0.000 -0.000 3/39930 50.0 82.246 82.246 30.148 0.000 -0.000 -0.000 3/39930 60.0 55.381 55.381 19.202 0.000 -0.000 -0.000 3/39930 70.0 40.807 40.807 13.632 0.000 -0.000 -0.000 3/39930 80.0 32.021 32.021 10.443 0.000 -0.000 -0.000 3/39930 90.0 26.260 26.260 8.434 0.000 -0.000 -0.000 3/39930 100.0 22.226 22.226 7.073 0.000 -0.000 -0.000 3/39930 110.0 19.256 19.256 6.095 0.000 -0.000 -0.000 3/39930 120.0 16.983 16.983 5.361 0.000 -0.000 -0.000 3/39930 130.0 15.189 15.189 4.791 0.000 -0.000 -0.000 3/39930 140.0 13.737 13.737 4.335 0.000 -0.000 -0.000 3/39930 150.0 12.540 12.540 3.961 0.000 -0.000 -0.000 3/39930 160.0 11.536 11.536 3.650 0.000 -0.000 -0.000 3/39930 170.0 10.682 10.682 3.387 0.000 -0.000 -0.000 3/39930 180.0 9.947 9.947 3.161 0.000 -0.000 -0.000 3/39930 190.0 9.308 9.308 2.965 0.000 -0.000 -0.000 3/39930 200.0 8.748 8.748 2.792 0.000 -0.000 -0.000 3/39930 210.0 8.252 8.252 2.640 0.000 -0.000 -0.000 3/39930 220.0 7.811 7.811 2.505 0.000 -0.000 -0.000 3/39930 230.0 7.415 7.415 2.383 0.000 -0.000 -0.000 3/39930 240.0 7.058 7.058 2.273 0.000 -0.000 -0.000 3/39930 250.0 6.735 6.735 2.173 0.000 -0.000 -0.000 3/39930 260.0 6.441 6.441 2.082 0.000 -0.000 -0.000 3/39930 270.0 6.172 6.172 1.998 0.000 -0.000 -0.000 3/39930 280.0 5.926 5.926 1.922 0.000 -0.000 -0.000 3/39930 290.0 5.698 5.698 1.851 0.000 -0.000 -0.000 3/39930 300.0 5.488 5.488 1.785 0.000 -0.000 -0.000 3/39930 310.0 5.293 5.293 1.724 0.000 -0.000 -0.000 3/39930 320.0 5.112 5.112 1.667 0.000 -0.000 -0.000 3/39930 330.0 4.943 4.943 1.614 0.000 -0.000 -0.000 3/39930 340.0 4.786 4.786 1.564 0.000 -0.000 -0.000 3/39930 350.0 4.638 4.638 1.518 0.000 -0.000 -0.000 3/39930 360.0 4.499 4.499 1.474 0.000 -0.000 -0.000 3/39930 370.0 4.369 4.369 1.432 0.000 -0.000 -0.000 3/39930 380.0 4.246 4.246 1.393 0.000 -0.000 -0.000 3/39930 390.0 4.130 4.130 1.356 0.000 -0.000 -0.000 3/39930 400.0 4.020 4.020 1.321 0.000 -0.000 -0.000 3/39930 410.0 3.916 3.916 1.288 0.000 -0.000 -0.000 3/39930 420.0 3.817 3.817 1.256 0.000 -0.000 -0.000 3/39930 430.0 3.723 3.723 1.226 0.000 -0.000 -0.000 3/39930 440.0 3.634 3.634 1.198 0.000 -0.000 -0.000 3/39930 450.0 3.549 3.549 1.170 0.000 -0.000 -0.000 3/39930 460.0 3.469 3.469 1.144 0.000 -0.000 -0.000 3/39930 470.0 3.391 3.391 1.119 0.000 -0.000 -0.000 3/39930 480.0 3.317 3.317 1.096 0.000 -0.000 -0.000 3/39930 490.0 3.247 3.247 1.073 0.000 -0.000 -0.000 3/39930 500.0 3.179 3.179 1.051 0.000 -0.000 -0.000 3/39930 510.0 3.114 3.114 1.030 0.000 -0.000 -0.000 3/39930 520.0 3.052 3.052 1.010 0.000 -0.000 -0.000 3/39930 530.0 2.992 2.992 0.990 0.000 -0.000 -0.000 3/39930 540.0 2.935 2.935 0.972 0.000 -0.000 -0.000 3/39930 550.0 2.880 2.880 0.954 0.000 -0.000 -0.000 3/39930 560.0 2.827 2.827 0.937 0.000 -0.000 -0.000 3/39930 570.0 2.775 2.775 0.920 0.000 -0.000 -0.000 3/39930 580.0 2.726 2.726 0.904 0.000 -0.000 -0.000 3/39930 590.0 2.678 2.678 0.888 0.000 -0.000 -0.000 3/39930 600.0 2.633 2.633 0.873 0.000 -0.000 -0.000 3/39930 610.0 2.588 2.588 0.859 0.000 -0.000 -0.000 3/39930 620.0 2.545 2.545 0.845 0.000 -0.000 -0.000 3/39930 630.0 2.504 2.504 0.831 0.000 -0.000 -0.000 3/39930 640.0 2.464 2.464 0.818 0.000 -0.000 -0.000 3/39930 650.0 2.425 2.425 0.805 0.000 -0.000 -0.000 3/39930 660.0 2.387 2.387 0.793 0.000 -0.000 -0.000 3/39930 670.0 2.351 2.351 0.781 0.000 -0.000 -0.000 3/39930 680.0 2.315 2.315 0.769 0.000 -0.000 -0.000 3/39930 690.0 2.281 2.281 0.758 0.000 -0.000 -0.000 3/39930 700.0 2.248 2.248 0.747 0.000 -0.000 -0.000 3/39930 710.0 2.215 2.215 0.737 0.000 -0.000 -0.000 3/39930 720.0 2.184 2.184 0.726 0.000 -0.000 -0.000 3/39930 730.0 2.153 2.153 0.716 0.000 -0.000 -0.000 3/39930 740.0 2.124 2.124 0.707 0.000 -0.000 -0.000 3/39930 750.0 2.095 2.095 0.697 0.000 -0.000 -0.000 3/39930 760.0 2.067 2.067 0.688 0.000 -0.000 -0.000 3/39930 770.0 2.040 2.040 0.679 0.000 -0.000 -0.000 3/39930 780.0 2.013 2.013 0.670 0.000 -0.000 -0.000 3/39930 790.0 1.987 1.987 0.661 0.000 -0.000 -0.000 3/39930 800.0 1.962 1.962 0.653 0.000 -0.000 -0.000 3/39930 810.0 1.937 1.937 0.645 0.000 -0.000 -0.000 3/39930 820.0 1.913 1.913 0.637 0.000 -0.000 -0.000 3/39930 830.0 1.890 1.890 0.629 0.000 -0.000 -0.000 3/39930 840.0 1.867 1.867 0.622 0.000 -0.000 -0.000 3/39930 850.0 1.845 1.845 0.614 0.000 -0.000 -0.000 3/39930 860.0 1.823 1.823 0.607 0.000 -0.000 -0.000 3/39930 870.0 1.802 1.802 0.600 0.000 -0.000 -0.000 3/39930 880.0 1.781 1.781 0.593 0.000 -0.000 -0.000 3/39930 890.0 1.761 1.761 0.587 0.000 -0.000 -0.000 3/39930 900.0 1.741 1.741 0.580 0.000 -0.000 -0.000 3/39930 910.0 1.721 1.721 0.574 0.000 -0.000 -0.000 3/39930 920.0 1.702 1.702 0.567 0.000 -0.000 -0.000 3/39930 930.0 1.684 1.684 0.561 0.000 -0.000 -0.000 3/39930 940.0 1.666 1.666 0.555 0.000 -0.000 -0.000 3/39930 950.0 1.648 1.648 0.549 0.000 -0.000 -0.000 3/39930 960.0 1.631 1.631 0.544 0.000 -0.000 -0.000 3/39930 970.0 1.614 1.614 0.538 0.000 -0.000 -0.000 3/39930 980.0 1.597 1.597 0.533 0.000 -0.000 -0.000 3/39930 990.0 1.581 1.581 0.527 0.000 -0.000 -0.000 3/39930 1000.0 1.565 1.565 0.522 0.000 -0.000 -0.000 3/39930 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:19:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|