----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:57:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.818464328197878 0.000000000000000 0.000000000000000 b 0.000000000000000 3.933215469999999 0.000000000000000 c -1.049814149472806 0.000000000000000 6.298528125102447 Atomic positions (fractional): *1 Rb 0.79583090090387 0.25000000000000 0.69648743650126 85.468 2 Rb 0.20416909909613 0.75000000000000 0.30351256349874 85.468 *3 H 0.66245737082759 0.45290516240349 0.12729187177655 1.008 4 H 0.33754262917241 0.95290516240349 0.87270812822345 1.008 5 H 0.33754262917241 0.54709483759651 0.87270812822345 1.008 6 H 0.66245737082759 0.04709483759651 0.12729187177655 1.008 *7 N 0.70666671638589 0.25000000000000 0.23082980910620 14.007 8 N 0.29333328361411 0.75000000000000 0.76917019089380 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.818464328197878 0.000000000000000 0.000000000000000 b 0.000000000000000 3.933215469999999 0.000000000000000 c -1.049814149472806 0.000000000000000 6.298528125102447 Atomic positions (fractional): *1 Rb 0.79583090090387 0.25000000000000 0.69648743650126 85.468 > 1 2 Rb 0.20416909909613 0.75000000000000 0.30351256349874 85.468 > 2 *3 H 0.66245737082759 0.45290516240349 0.12729187177655 1.008 > 3 4 H 0.33754262917241 0.95290516240349 0.87270812822345 1.008 > 4 5 H 0.33754262917241 0.54709483759651 0.87270812822345 1.008 > 5 6 H 0.66245737082759 0.04709483759651 0.12729187177655 1.008 > 6 *7 N 0.70666671638589 0.25000000000000 0.23082980910620 14.007 > 7 8 N 0.29333328361411 0.75000000000000 0.76917019089380 14.007 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.455392984593635 0.000000000000000 0.000000000000000 b 0.000000000000000 11.799646409999998 0.000000000000000 c -2.099628298945612 0.000000000000000 12.597056250204894 Atomic positions (fractional): *1 Rb 0.26527696696796 0.08333333333333 0.34824371825063 85.468 > 1 2 Rb 0.59861030030129 0.08333333333333 0.34824371825063 85.468 > 1 3 Rb 0.93194363363462 0.08333333333333 0.34824371825063 85.468 > 1 4 Rb 0.26527696696796 0.41666666666667 0.34824371825063 85.468 > 1 5 Rb 0.59861030030129 0.41666666666667 0.34824371825063 85.468 > 1 6 Rb 0.93194363363462 0.41666666666667 0.34824371825063 85.468 > 1 7 Rb 0.26527696696796 0.75000000000000 0.34824371825063 85.468 > 1 8 Rb 0.59861030030129 0.75000000000000 0.34824371825063 85.468 > 1 9 Rb 0.93194363363462 0.75000000000000 0.34824371825063 85.468 > 1 10 Rb 0.26527696696796 0.08333333333333 0.84824371825063 85.468 > 1 11 Rb 0.59861030030129 0.08333333333333 0.84824371825063 85.468 > 1 12 Rb 0.93194363363462 0.08333333333333 0.84824371825063 85.468 > 1 13 Rb 0.26527696696796 0.41666666666667 0.84824371825063 85.468 > 1 14 Rb 0.59861030030129 0.41666666666667 0.84824371825063 85.468 > 1 15 Rb 0.93194363363462 0.41666666666667 0.84824371825063 85.468 > 1 16 Rb 0.26527696696796 0.75000000000000 0.84824371825063 85.468 > 1 17 Rb 0.59861030030129 0.75000000000000 0.84824371825063 85.468 > 1 18 Rb 0.93194363363462 0.75000000000000 0.84824371825063 85.468 > 1 19 Rb 0.06805636636538 0.25000000000000 0.15175628174937 85.468 > 2 20 Rb 0.40138969969871 0.25000000000000 0.15175628174937 85.468 > 2 21 Rb 0.73472303303204 0.25000000000000 0.15175628174937 85.468 > 2 22 Rb 0.06805636636538 0.58333333333333 0.15175628174937 85.468 > 2 23 Rb 0.40138969969871 0.58333333333333 0.15175628174937 85.468 > 2 24 Rb 0.73472303303204 0.58333333333333 0.15175628174937 85.468 > 2 25 Rb 0.06805636636538 0.91666666666667 0.15175628174937 85.468 > 2 26 Rb 0.40138969969871 0.91666666666667 0.15175628174937 85.468 > 2 27 Rb 0.73472303303204 0.91666666666667 0.15175628174937 85.468 > 2 28 Rb 0.06805636636538 0.25000000000000 0.65175628174937 85.468 > 2 29 Rb 0.40138969969871 0.25000000000000 0.65175628174937 85.468 > 2 30 Rb 0.73472303303204 0.25000000000000 0.65175628174937 85.468 > 2 31 Rb 0.06805636636538 0.58333333333333 0.65175628174937 85.468 > 2 32 Rb 0.40138969969871 0.58333333333333 0.65175628174937 85.468 > 2 33 Rb 0.73472303303204 0.58333333333333 0.65175628174937 85.468 > 2 34 Rb 0.06805636636538 0.91666666666667 0.65175628174937 85.468 > 2 35 Rb 0.40138969969871 0.91666666666667 0.65175628174937 85.468 > 2 36 Rb 0.73472303303204 0.91666666666667 0.65175628174937 85.468 > 2 *37 H 0.22081912360920 0.15096838746783 0.06364593588827 1.008 > 3 38 H 0.55415245694253 0.15096838746783 0.06364593588827 1.008 > 3 39 H 0.88748579027586 0.15096838746783 0.06364593588827 1.008 > 3 40 H 0.22081912360920 0.48430172080116 0.06364593588827 1.008 > 3 41 H 0.55415245694253 0.48430172080116 0.06364593588827 1.008 > 3 42 H 0.88748579027586 0.48430172080116 0.06364593588827 1.008 > 3 43 H 0.22081912360920 0.81763505413450 0.06364593588827 1.008 > 3 44 H 0.55415245694253 0.81763505413450 0.06364593588827 1.008 > 3 45 H 0.88748579027586 0.81763505413450 0.06364593588827 1.008 > 3 46 H 0.22081912360920 0.15096838746783 0.56364593588827 1.008 > 3 47 H 0.55415245694253 0.15096838746783 0.56364593588827 1.008 > 3 48 H 0.88748579027586 0.15096838746783 0.56364593588827 1.008 > 3 49 H 0.22081912360920 0.48430172080116 0.56364593588827 1.008 > 3 50 H 0.55415245694253 0.48430172080116 0.56364593588827 1.008 > 3 51 H 0.88748579027586 0.48430172080116 0.56364593588827 1.008 > 3 52 H 0.22081912360920 0.81763505413450 0.56364593588827 1.008 > 3 53 H 0.55415245694253 0.81763505413450 0.56364593588827 1.008 > 3 54 H 0.88748579027586 0.81763505413450 0.56364593588827 1.008 > 3 55 H 0.11251420972414 0.31763505413450 0.43635406411173 1.008 > 4 56 H 0.44584754305747 0.31763505413450 0.43635406411173 1.008 > 4 57 H 0.77918087639080 0.31763505413450 0.43635406411173 1.008 > 4 58 H 0.11251420972414 0.65096838746783 0.43635406411173 1.008 > 4 59 H 0.44584754305747 0.65096838746783 0.43635406411173 1.008 > 4 60 H 0.77918087639080 0.65096838746783 0.43635406411173 1.008 > 4 61 H 0.11251420972414 0.98430172080116 0.43635406411173 1.008 > 4 62 H 0.44584754305747 0.98430172080116 0.43635406411173 1.008 > 4 63 H 0.77918087639080 0.98430172080116 0.43635406411173 1.008 > 4 64 H 0.11251420972414 0.31763505413450 0.93635406411173 1.008 > 4 65 H 0.44584754305747 0.31763505413450 0.93635406411173 1.008 > 4 66 H 0.77918087639080 0.31763505413450 0.93635406411173 1.008 > 4 67 H 0.11251420972414 0.65096838746783 0.93635406411173 1.008 > 4 68 H 0.44584754305747 0.65096838746783 0.93635406411173 1.008 > 4 69 H 0.77918087639080 0.65096838746783 0.93635406411173 1.008 > 4 70 H 0.11251420972414 0.98430172080116 0.93635406411173 1.008 > 4 71 H 0.44584754305747 0.98430172080116 0.93635406411173 1.008 > 4 72 H 0.77918087639080 0.98430172080116 0.93635406411173 1.008 > 4 73 H 0.11251420972414 0.18236494586550 0.43635406411173 1.008 > 5 74 H 0.44584754305747 0.18236494586550 0.43635406411173 1.008 > 5 75 H 0.77918087639080 0.18236494586550 0.43635406411173 1.008 > 5 76 H 0.11251420972414 0.51569827919884 0.43635406411173 1.008 > 5 77 H 0.44584754305747 0.51569827919884 0.43635406411173 1.008 > 5 78 H 0.77918087639080 0.51569827919884 0.43635406411173 1.008 > 5 79 H 0.11251420972414 0.84903161253217 0.43635406411173 1.008 > 5 80 H 0.44584754305747 0.84903161253217 0.43635406411173 1.008 > 5 81 H 0.77918087639080 0.84903161253217 0.43635406411173 1.008 > 5 82 H 0.11251420972414 0.18236494586550 0.93635406411173 1.008 > 5 83 H 0.44584754305747 0.18236494586550 0.93635406411173 1.008 > 5 84 H 0.77918087639080 0.18236494586550 0.93635406411173 1.008 > 5 85 H 0.11251420972414 0.51569827919884 0.93635406411173 1.008 > 5 86 H 0.44584754305747 0.51569827919884 0.93635406411173 1.008 > 5 87 H 0.77918087639080 0.51569827919884 0.93635406411173 1.008 > 5 88 H 0.11251420972414 0.84903161253217 0.93635406411173 1.008 > 5 89 H 0.44584754305747 0.84903161253217 0.93635406411173 1.008 > 5 90 H 0.77918087639080 0.84903161253217 0.93635406411173 1.008 > 5 91 H 0.22081912360920 0.01569827919884 0.06364593588827 1.008 > 6 92 H 0.55415245694253 0.01569827919884 0.06364593588827 1.008 > 6 93 H 0.88748579027586 0.01569827919884 0.06364593588827 1.008 > 6 94 H 0.22081912360920 0.34903161253217 0.06364593588827 1.008 > 6 95 H 0.55415245694253 0.34903161253217 0.06364593588827 1.008 > 6 96 H 0.88748579027586 0.34903161253217 0.06364593588827 1.008 > 6 97 H 0.22081912360920 0.68236494586550 0.06364593588827 1.008 > 6 98 H 0.55415245694253 0.68236494586550 0.06364593588827 1.008 > 6 99 H 0.88748579027586 0.68236494586550 0.06364593588827 1.008 > 6 100 H 0.22081912360920 0.01569827919884 0.56364593588827 1.008 > 6 101 H 0.55415245694253 0.01569827919884 0.56364593588827 1.008 > 6 102 H 0.88748579027586 0.01569827919884 0.56364593588827 1.008 > 6 103 H 0.22081912360920 0.34903161253217 0.56364593588827 1.008 > 6 104 H 0.55415245694253 0.34903161253217 0.56364593588827 1.008 > 6 105 H 0.88748579027586 0.34903161253217 0.56364593588827 1.008 > 6 106 H 0.22081912360920 0.68236494586550 0.56364593588827 1.008 > 6 107 H 0.55415245694253 0.68236494586550 0.56364593588827 1.008 > 6 108 H 0.88748579027586 0.68236494586550 0.56364593588827 1.008 > 6 *109 N 0.23555557212863 0.08333333333333 0.11541490455310 14.007 > 7 110 N 0.56888890546196 0.08333333333333 0.11541490455310 14.007 > 7 111 N 0.90222223879530 0.08333333333333 0.11541490455310 14.007 > 7 112 N 0.23555557212863 0.41666666666667 0.11541490455310 14.007 > 7 113 N 0.56888890546196 0.41666666666667 0.11541490455310 14.007 > 7 114 N 0.90222223879530 0.41666666666667 0.11541490455310 14.007 > 7 115 N 0.23555557212863 0.75000000000000 0.11541490455310 14.007 > 7 116 N 0.56888890546196 0.75000000000000 0.11541490455310 14.007 > 7 117 N 0.90222223879530 0.75000000000000 0.11541490455310 14.007 > 7 118 N 0.23555557212863 0.08333333333333 0.61541490455310 14.007 > 7 119 N 0.56888890546196 0.08333333333333 0.61541490455310 14.007 > 7 120 N 0.90222223879530 0.08333333333333 0.61541490455310 14.007 > 7 121 N 0.23555557212863 0.41666666666667 0.61541490455310 14.007 > 7 122 N 0.56888890546196 0.41666666666667 0.61541490455310 14.007 > 7 123 N 0.90222223879530 0.41666666666667 0.61541490455310 14.007 > 7 124 N 0.23555557212863 0.75000000000000 0.61541490455310 14.007 > 7 125 N 0.56888890546196 0.75000000000000 0.61541490455310 14.007 > 7 126 N 0.90222223879530 0.75000000000000 0.61541490455310 14.007 > 7 127 N 0.09777776120470 0.25000000000000 0.38458509544690 14.007 > 8 128 N 0.43111109453804 0.25000000000000 0.38458509544690 14.007 > 8 129 N 0.76444442787137 0.25000000000000 0.38458509544690 14.007 > 8 130 N 0.09777776120470 0.58333333333333 0.38458509544690 14.007 > 8 131 N 0.43111109453804 0.58333333333333 0.38458509544690 14.007 > 8 132 N 0.76444442787137 0.58333333333333 0.38458509544690 14.007 > 8 133 N 0.09777776120470 0.91666666666667 0.38458509544690 14.007 > 8 134 N 0.43111109453804 0.91666666666667 0.38458509544690 14.007 > 8 135 N 0.76444442787137 0.91666666666667 0.38458509544690 14.007 > 8 136 N 0.09777776120470 0.25000000000000 0.88458509544690 14.007 > 8 137 N 0.43111109453804 0.25000000000000 0.88458509544690 14.007 > 8 138 N 0.76444442787137 0.25000000000000 0.88458509544690 14.007 > 8 139 N 0.09777776120470 0.58333333333333 0.88458509544690 14.007 > 8 140 N 0.43111109453804 0.58333333333333 0.88458509544690 14.007 > 8 141 N 0.76444442787137 0.58333333333333 0.88458509544690 14.007 > 8 142 N 0.09777776120470 0.91666666666667 0.88458509544690 14.007 > 8 143 N 0.43111109453804 0.91666666666667 0.88458509544690 14.007 > 8 144 N 0.76444442787137 0.91666666666667 0.88458509544690 14.007 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2795121 0.0000000 -0.0125064 0.0000000 2.5694425 0.0000000 -0.0125074 0.0000000 2.7903847 -------------------------- Born effective charges -------------------------- 1 Rb 1.1349906 0.0000000 -0.0110456 0.0000000 1.1258350 0.0000000 -0.0105309 0.0000000 1.1824378 2 Rb 1.1349906 0.0000000 -0.0110456 0.0000000 1.1258350 0.0000000 -0.0105309 0.0000000 1.1824378 3 H 0.2557022 0.0102405 -0.0069270 0.0075409 -0.0335315 0.2032691 0.0044408 0.1929783 -0.0546878 4 H 0.2557022 -0.0102405 -0.0069270 -0.0075409 -0.0335315 -0.2032691 0.0044408 -0.1929783 -0.0546878 5 H 0.2557022 0.0102405 -0.0069270 0.0075409 -0.0335315 0.2032691 0.0044408 0.1929783 -0.0546878 6 H 0.2557022 -0.0102405 -0.0069270 -0.0075409 -0.0335315 -0.2032691 0.0044408 -0.1929783 -0.0546878 7 N -1.6463951 0.0000000 0.0248996 0.0000000 -1.0587721 0.0000000 0.0016494 0.0000000 -1.0730622 8 N -1.6463951 0.0000000 0.0248996 0.0000000 -1.0587721 0.0000000 0.0016494 0.0000000 -1.0730622 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1404 Number of blocks in projector: 1404 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 188 Use standard eigh solver. Tree of FC basis block matrices: - (1404, 1386), data: False |-- (188, 185), data: True |-- (188, 185), data: True |-- (188, 185), data: True |-- (264, 262), data: True |-- (264, 262), data: True |-- (312, 307), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 240 - Time: 2.425 Solver_block: 200 / 240 - Time: 2.489 Solver_block: 240 / 240 - Time: 1.057 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.063 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1404 Number of blocks in projector: 1404 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 188 Use standard eigh solver. Tree of FC basis block matrices: - (1404, 1386), data: False |-- (188, 185), data: True |-- (188, 185), data: True |-- (188, 185), data: True |-- (264, 262), data: True |-- (264, 262), data: True |-- (312, 307), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:57:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:57:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.818464328197878 0.000000000000000 0.000000000000000 b 0.000000000000000 3.933215469999999 0.000000000000000 c -1.049814149472806 0.000000000000000 6.298528125102447 Atomic positions (fractional): 1 Rb 0.79583090090387 0.25000000000000 0.69648743650126 85.468 2 Rb 0.20416909909613 0.75000000000000 0.30351256349874 85.468 3 H 0.66245737082759 0.45290516240349 0.12729187177655 1.008 4 H 0.33754262917241 0.95290516240349 0.87270812822345 1.008 5 H 0.33754262917241 0.54709483759651 0.87270812822345 1.008 6 H 0.66245737082759 0.04709483759651 0.12729187177655 1.008 7 N 0.70666671638589 0.25000000000000 0.23082980910620 14.007 8 N 0.29333328361411 0.75000000000000 0.76917019089380 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.455392984593635 0.000000000000000 0.000000000000000 b 0.000000000000000 11.799646409999998 0.000000000000000 c -2.099628298945612 0.000000000000000 12.597056250204894 Atomic positions (fractional): 1 Rb 0.26527696696796 0.08333333333333 0.34824371825063 85.468 > 1 2 Rb 0.59861030030129 0.08333333333333 0.34824371825063 85.468 > 1 3 Rb 0.93194363363462 0.08333333333333 0.34824371825063 85.468 > 1 4 Rb 0.26527696696796 0.41666666666667 0.34824371825063 85.468 > 1 5 Rb 0.59861030030129 0.41666666666667 0.34824371825063 85.468 > 1 6 Rb 0.93194363363462 0.41666666666667 0.34824371825063 85.468 > 1 7 Rb 0.26527696696796 0.75000000000000 0.34824371825063 85.468 > 1 8 Rb 0.59861030030129 0.75000000000000 0.34824371825063 85.468 > 1 9 Rb 0.93194363363462 0.75000000000000 0.34824371825063 85.468 > 1 10 Rb 0.26527696696796 0.08333333333333 0.84824371825063 85.468 > 1 11 Rb 0.59861030030129 0.08333333333333 0.84824371825063 85.468 > 1 12 Rb 0.93194363363462 0.08333333333333 0.84824371825063 85.468 > 1 13 Rb 0.26527696696796 0.41666666666667 0.84824371825063 85.468 > 1 14 Rb 0.59861030030129 0.41666666666667 0.84824371825063 85.468 > 1 15 Rb 0.93194363363462 0.41666666666667 0.84824371825063 85.468 > 1 16 Rb 0.26527696696796 0.75000000000000 0.84824371825063 85.468 > 1 17 Rb 0.59861030030129 0.75000000000000 0.84824371825063 85.468 > 1 18 Rb 0.93194363363462 0.75000000000000 0.84824371825063 85.468 > 1 19 Rb 0.06805636636538 0.25000000000000 0.15175628174937 85.468 > 19 20 Rb 0.40138969969871 0.25000000000000 0.15175628174937 85.468 > 19 21 Rb 0.73472303303204 0.25000000000000 0.15175628174937 85.468 > 19 22 Rb 0.06805636636538 0.58333333333333 0.15175628174937 85.468 > 19 23 Rb 0.40138969969871 0.58333333333333 0.15175628174937 85.468 > 19 24 Rb 0.73472303303204 0.58333333333333 0.15175628174937 85.468 > 19 25 Rb 0.06805636636538 0.91666666666667 0.15175628174937 85.468 > 19 26 Rb 0.40138969969871 0.91666666666667 0.15175628174937 85.468 > 19 27 Rb 0.73472303303204 0.91666666666667 0.15175628174937 85.468 > 19 28 Rb 0.06805636636538 0.25000000000000 0.65175628174937 85.468 > 19 29 Rb 0.40138969969871 0.25000000000000 0.65175628174937 85.468 > 19 30 Rb 0.73472303303204 0.25000000000000 0.65175628174937 85.468 > 19 31 Rb 0.06805636636538 0.58333333333333 0.65175628174937 85.468 > 19 32 Rb 0.40138969969871 0.58333333333333 0.65175628174937 85.468 > 19 33 Rb 0.73472303303204 0.58333333333333 0.65175628174937 85.468 > 19 34 Rb 0.06805636636538 0.91666666666667 0.65175628174937 85.468 > 19 35 Rb 0.40138969969871 0.91666666666667 0.65175628174937 85.468 > 19 36 Rb 0.73472303303204 0.91666666666667 0.65175628174937 85.468 > 19 37 H 0.22081912360920 0.15096838746783 0.06364593588827 1.008 > 37 38 H 0.55415245694253 0.15096838746783 0.06364593588827 1.008 > 37 39 H 0.88748579027586 0.15096838746783 0.06364593588827 1.008 > 37 40 H 0.22081912360920 0.48430172080116 0.06364593588827 1.008 > 37 41 H 0.55415245694253 0.48430172080116 0.06364593588827 1.008 > 37 42 H 0.88748579027586 0.48430172080116 0.06364593588827 1.008 > 37 43 H 0.22081912360920 0.81763505413450 0.06364593588827 1.008 > 37 44 H 0.55415245694253 0.81763505413450 0.06364593588827 1.008 > 37 45 H 0.88748579027586 0.81763505413450 0.06364593588827 1.008 > 37 46 H 0.22081912360920 0.15096838746783 0.56364593588827 1.008 > 37 47 H 0.55415245694253 0.15096838746783 0.56364593588827 1.008 > 37 48 H 0.88748579027586 0.15096838746783 0.56364593588827 1.008 > 37 49 H 0.22081912360920 0.48430172080116 0.56364593588827 1.008 > 37 50 H 0.55415245694253 0.48430172080116 0.56364593588827 1.008 > 37 51 H 0.88748579027586 0.48430172080116 0.56364593588827 1.008 > 37 52 H 0.22081912360920 0.81763505413450 0.56364593588827 1.008 > 37 53 H 0.55415245694253 0.81763505413450 0.56364593588827 1.008 > 37 54 H 0.88748579027586 0.81763505413450 0.56364593588827 1.008 > 37 55 H 0.11251420972414 0.31763505413450 0.43635406411173 1.008 > 55 56 H 0.44584754305747 0.31763505413450 0.43635406411173 1.008 > 55 57 H 0.77918087639080 0.31763505413450 0.43635406411173 1.008 > 55 58 H 0.11251420972414 0.65096838746783 0.43635406411173 1.008 > 55 59 H 0.44584754305747 0.65096838746783 0.43635406411173 1.008 > 55 60 H 0.77918087639080 0.65096838746783 0.43635406411173 1.008 > 55 61 H 0.11251420972414 0.98430172080116 0.43635406411173 1.008 > 55 62 H 0.44584754305747 0.98430172080116 0.43635406411173 1.008 > 55 63 H 0.77918087639080 0.98430172080116 0.43635406411173 1.008 > 55 64 H 0.11251420972414 0.31763505413450 0.93635406411173 1.008 > 55 65 H 0.44584754305747 0.31763505413450 0.93635406411173 1.008 > 55 66 H 0.77918087639080 0.31763505413450 0.93635406411173 1.008 > 55 67 H 0.11251420972414 0.65096838746783 0.93635406411173 1.008 > 55 68 H 0.44584754305747 0.65096838746783 0.93635406411173 1.008 > 55 69 H 0.77918087639080 0.65096838746783 0.93635406411173 1.008 > 55 70 H 0.11251420972414 0.98430172080116 0.93635406411173 1.008 > 55 71 H 0.44584754305747 0.98430172080116 0.93635406411173 1.008 > 55 72 H 0.77918087639080 0.98430172080116 0.93635406411173 1.008 > 55 73 H 0.11251420972414 0.18236494586550 0.43635406411173 1.008 > 73 74 H 0.44584754305747 0.18236494586550 0.43635406411173 1.008 > 73 75 H 0.77918087639080 0.18236494586550 0.43635406411173 1.008 > 73 76 H 0.11251420972414 0.51569827919884 0.43635406411173 1.008 > 73 77 H 0.44584754305747 0.51569827919884 0.43635406411173 1.008 > 73 78 H 0.77918087639080 0.51569827919884 0.43635406411173 1.008 > 73 79 H 0.11251420972414 0.84903161253217 0.43635406411173 1.008 > 73 80 H 0.44584754305747 0.84903161253217 0.43635406411173 1.008 > 73 81 H 0.77918087639080 0.84903161253217 0.43635406411173 1.008 > 73 82 H 0.11251420972414 0.18236494586550 0.93635406411173 1.008 > 73 83 H 0.44584754305747 0.18236494586550 0.93635406411173 1.008 > 73 84 H 0.77918087639080 0.18236494586550 0.93635406411173 1.008 > 73 85 H 0.11251420972414 0.51569827919884 0.93635406411173 1.008 > 73 86 H 0.44584754305747 0.51569827919884 0.93635406411173 1.008 > 73 87 H 0.77918087639080 0.51569827919884 0.93635406411173 1.008 > 73 88 H 0.11251420972414 0.84903161253217 0.93635406411173 1.008 > 73 89 H 0.44584754305747 0.84903161253217 0.93635406411173 1.008 > 73 90 H 0.77918087639080 0.84903161253217 0.93635406411173 1.008 > 73 91 H 0.22081912360920 0.01569827919884 0.06364593588827 1.008 > 91 92 H 0.55415245694253 0.01569827919884 0.06364593588827 1.008 > 91 93 H 0.88748579027586 0.01569827919884 0.06364593588827 1.008 > 91 94 H 0.22081912360920 0.34903161253217 0.06364593588827 1.008 > 91 95 H 0.55415245694253 0.34903161253217 0.06364593588827 1.008 > 91 96 H 0.88748579027586 0.34903161253217 0.06364593588827 1.008 > 91 97 H 0.22081912360920 0.68236494586550 0.06364593588827 1.008 > 91 98 H 0.55415245694253 0.68236494586550 0.06364593588827 1.008 > 91 99 H 0.88748579027586 0.68236494586550 0.06364593588827 1.008 > 91 100 H 0.22081912360920 0.01569827919884 0.56364593588827 1.008 > 91 101 H 0.55415245694253 0.01569827919884 0.56364593588827 1.008 > 91 102 H 0.88748579027586 0.01569827919884 0.56364593588827 1.008 > 91 103 H 0.22081912360920 0.34903161253217 0.56364593588827 1.008 > 91 104 H 0.55415245694253 0.34903161253217 0.56364593588827 1.008 > 91 105 H 0.88748579027586 0.34903161253217 0.56364593588827 1.008 > 91 106 H 0.22081912360920 0.68236494586550 0.56364593588827 1.008 > 91 107 H 0.55415245694253 0.68236494586550 0.56364593588827 1.008 > 91 108 H 0.88748579027586 0.68236494586550 0.56364593588827 1.008 > 91 109 N 0.23555557212863 0.08333333333333 0.11541490455310 14.007 > 109 110 N 0.56888890546196 0.08333333333333 0.11541490455310 14.007 > 109 111 N 0.90222223879530 0.08333333333333 0.11541490455310 14.007 > 109 112 N 0.23555557212863 0.41666666666667 0.11541490455310 14.007 > 109 113 N 0.56888890546196 0.41666666666667 0.11541490455310 14.007 > 109 114 N 0.90222223879530 0.41666666666667 0.11541490455310 14.007 > 109 115 N 0.23555557212863 0.75000000000000 0.11541490455310 14.007 > 109 116 N 0.56888890546196 0.75000000000000 0.11541490455310 14.007 > 109 117 N 0.90222223879530 0.75000000000000 0.11541490455310 14.007 > 109 118 N 0.23555557212863 0.08333333333333 0.61541490455310 14.007 > 109 119 N 0.56888890546196 0.08333333333333 0.61541490455310 14.007 > 109 120 N 0.90222223879530 0.08333333333333 0.61541490455310 14.007 > 109 121 N 0.23555557212863 0.41666666666667 0.61541490455310 14.007 > 109 122 N 0.56888890546196 0.41666666666667 0.61541490455310 14.007 > 109 123 N 0.90222223879530 0.41666666666667 0.61541490455310 14.007 > 109 124 N 0.23555557212863 0.75000000000000 0.61541490455310 14.007 > 109 125 N 0.56888890546196 0.75000000000000 0.61541490455310 14.007 > 109 126 N 0.90222223879530 0.75000000000000 0.61541490455310 14.007 > 109 127 N 0.09777776120470 0.25000000000000 0.38458509544690 14.007 > 127 128 N 0.43111109453804 0.25000000000000 0.38458509544690 14.007 > 127 129 N 0.76444442787137 0.25000000000000 0.38458509544690 14.007 > 127 130 N 0.09777776120470 0.58333333333333 0.38458509544690 14.007 > 127 131 N 0.43111109453804 0.58333333333333 0.38458509544690 14.007 > 127 132 N 0.76444442787137 0.58333333333333 0.38458509544690 14.007 > 127 133 N 0.09777776120470 0.91666666666667 0.38458509544690 14.007 > 127 134 N 0.43111109453804 0.91666666666667 0.38458509544690 14.007 > 127 135 N 0.76444442787137 0.91666666666667 0.38458509544690 14.007 > 127 136 N 0.09777776120470 0.25000000000000 0.88458509544690 14.007 > 127 137 N 0.43111109453804 0.25000000000000 0.88458509544690 14.007 > 127 138 N 0.76444442787137 0.25000000000000 0.88458509544690 14.007 > 127 139 N 0.09777776120470 0.58333333333333 0.88458509544690 14.007 > 127 140 N 0.43111109453804 0.58333333333333 0.88458509544690 14.007 > 127 141 N 0.76444442787137 0.58333333333333 0.88458509544690 14.007 > 127 142 N 0.09777776120470 0.91666666666667 0.88458509544690 14.007 > 127 143 N 0.43111109453804 0.91666666666667 0.88458509544690 14.007 > 127 144 N 0.76444442787137 0.91666666666667 0.88458509544690 14.007 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2795121 0.0000000 -0.0125064 0.0000000 2.5694425 0.0000000 -0.0125074 0.0000000 2.7903847 -------------------------- Born effective charges -------------------------- 1 Rb 1.1349906 0.0000000 -0.0110456 0.0000000 1.1258350 0.0000000 -0.0105309 0.0000000 1.1824378 2 Rb 1.1349906 0.0000000 -0.0110456 0.0000000 1.1258350 0.0000000 -0.0105309 0.0000000 1.1824378 3 H 0.2557022 0.0102405 -0.0069270 0.0075409 -0.0335315 0.2032691 0.0044408 0.1929783 -0.0546878 4 H 0.2557022 -0.0102405 -0.0069270 -0.0075409 -0.0335315 -0.2032691 0.0044408 -0.1929783 -0.0546878 5 H 0.2557022 0.0102405 -0.0069270 0.0075409 -0.0335315 0.2032691 0.0044408 0.1929783 -0.0546878 6 H 0.2557022 -0.0102405 -0.0069270 -0.0075409 -0.0335315 -0.2032691 0.0044408 -0.1929783 -0.0546878 7 N -1.6463951 0.0000000 0.0248996 0.0000000 -1.0587721 0.0000000 0.0016494 0.0000000 -1.0730622 8 N -1.6463951 0.0000000 0.0248996 0.0000000 -1.0587721 0.0000000 0.0016494 0.0000000 -1.0730622 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) 0.00000000 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (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 21:57:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:57:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.818464328197878 0.000000000000000 0.000000000000000 b 0.000000000000000 3.933215469999999 0.000000000000000 c -1.049814149472806 0.000000000000000 6.298528125102447 Atomic positions (fractional): 1 Rb 0.79583090090387 0.25000000000000 0.69648743650126 85.468 2 Rb 0.20416909909613 0.75000000000000 0.30351256349874 85.468 3 H 0.66245737082759 0.45290516240349 0.12729187177655 1.008 4 H 0.33754262917241 0.95290516240349 0.87270812822345 1.008 5 H 0.33754262917241 0.54709483759651 0.87270812822345 1.008 6 H 0.66245737082759 0.04709483759651 0.12729187177655 1.008 7 N 0.70666671638589 0.25000000000000 0.23082980910620 14.007 8 N 0.29333328361411 0.75000000000000 0.76917019089380 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.455392984593635 0.000000000000000 0.000000000000000 b 0.000000000000000 11.799646409999998 0.000000000000000 c -2.099628298945612 0.000000000000000 12.597056250204894 Atomic positions (fractional): 1 Rb 0.26527696696796 0.08333333333333 0.34824371825063 85.468 > 1 2 Rb 0.59861030030129 0.08333333333333 0.34824371825063 85.468 > 1 3 Rb 0.93194363363462 0.08333333333333 0.34824371825063 85.468 > 1 4 Rb 0.26527696696796 0.41666666666667 0.34824371825063 85.468 > 1 5 Rb 0.59861030030129 0.41666666666667 0.34824371825063 85.468 > 1 6 Rb 0.93194363363462 0.41666666666667 0.34824371825063 85.468 > 1 7 Rb 0.26527696696796 0.75000000000000 0.34824371825063 85.468 > 1 8 Rb 0.59861030030129 0.75000000000000 0.34824371825063 85.468 > 1 9 Rb 0.93194363363462 0.75000000000000 0.34824371825063 85.468 > 1 10 Rb 0.26527696696796 0.08333333333333 0.84824371825063 85.468 > 1 11 Rb 0.59861030030129 0.08333333333333 0.84824371825063 85.468 > 1 12 Rb 0.93194363363462 0.08333333333333 0.84824371825063 85.468 > 1 13 Rb 0.26527696696796 0.41666666666667 0.84824371825063 85.468 > 1 14 Rb 0.59861030030129 0.41666666666667 0.84824371825063 85.468 > 1 15 Rb 0.93194363363462 0.41666666666667 0.84824371825063 85.468 > 1 16 Rb 0.26527696696796 0.75000000000000 0.84824371825063 85.468 > 1 17 Rb 0.59861030030129 0.75000000000000 0.84824371825063 85.468 > 1 18 Rb 0.93194363363462 0.75000000000000 0.84824371825063 85.468 > 1 19 Rb 0.06805636636538 0.25000000000000 0.15175628174937 85.468 > 19 20 Rb 0.40138969969871 0.25000000000000 0.15175628174937 85.468 > 19 21 Rb 0.73472303303204 0.25000000000000 0.15175628174937 85.468 > 19 22 Rb 0.06805636636538 0.58333333333333 0.15175628174937 85.468 > 19 23 Rb 0.40138969969871 0.58333333333333 0.15175628174937 85.468 > 19 24 Rb 0.73472303303204 0.58333333333333 0.15175628174937 85.468 > 19 25 Rb 0.06805636636538 0.91666666666667 0.15175628174937 85.468 > 19 26 Rb 0.40138969969871 0.91666666666667 0.15175628174937 85.468 > 19 27 Rb 0.73472303303204 0.91666666666667 0.15175628174937 85.468 > 19 28 Rb 0.06805636636538 0.25000000000000 0.65175628174937 85.468 > 19 29 Rb 0.40138969969871 0.25000000000000 0.65175628174937 85.468 > 19 30 Rb 0.73472303303204 0.25000000000000 0.65175628174937 85.468 > 19 31 Rb 0.06805636636538 0.58333333333333 0.65175628174937 85.468 > 19 32 Rb 0.40138969969871 0.58333333333333 0.65175628174937 85.468 > 19 33 Rb 0.73472303303204 0.58333333333333 0.65175628174937 85.468 > 19 34 Rb 0.06805636636538 0.91666666666667 0.65175628174937 85.468 > 19 35 Rb 0.40138969969871 0.91666666666667 0.65175628174937 85.468 > 19 36 Rb 0.73472303303204 0.91666666666667 0.65175628174937 85.468 > 19 37 H 0.22081912360920 0.15096838746783 0.06364593588827 1.008 > 37 38 H 0.55415245694253 0.15096838746783 0.06364593588827 1.008 > 37 39 H 0.88748579027586 0.15096838746783 0.06364593588827 1.008 > 37 40 H 0.22081912360920 0.48430172080116 0.06364593588827 1.008 > 37 41 H 0.55415245694253 0.48430172080116 0.06364593588827 1.008 > 37 42 H 0.88748579027586 0.48430172080116 0.06364593588827 1.008 > 37 43 H 0.22081912360920 0.81763505413450 0.06364593588827 1.008 > 37 44 H 0.55415245694253 0.81763505413450 0.06364593588827 1.008 > 37 45 H 0.88748579027586 0.81763505413450 0.06364593588827 1.008 > 37 46 H 0.22081912360920 0.15096838746783 0.56364593588827 1.008 > 37 47 H 0.55415245694253 0.15096838746783 0.56364593588827 1.008 > 37 48 H 0.88748579027586 0.15096838746783 0.56364593588827 1.008 > 37 49 H 0.22081912360920 0.48430172080116 0.56364593588827 1.008 > 37 50 H 0.55415245694253 0.48430172080116 0.56364593588827 1.008 > 37 51 H 0.88748579027586 0.48430172080116 0.56364593588827 1.008 > 37 52 H 0.22081912360920 0.81763505413450 0.56364593588827 1.008 > 37 53 H 0.55415245694253 0.81763505413450 0.56364593588827 1.008 > 37 54 H 0.88748579027586 0.81763505413450 0.56364593588827 1.008 > 37 55 H 0.11251420972414 0.31763505413450 0.43635406411173 1.008 > 55 56 H 0.44584754305747 0.31763505413450 0.43635406411173 1.008 > 55 57 H 0.77918087639080 0.31763505413450 0.43635406411173 1.008 > 55 58 H 0.11251420972414 0.65096838746783 0.43635406411173 1.008 > 55 59 H 0.44584754305747 0.65096838746783 0.43635406411173 1.008 > 55 60 H 0.77918087639080 0.65096838746783 0.43635406411173 1.008 > 55 61 H 0.11251420972414 0.98430172080116 0.43635406411173 1.008 > 55 62 H 0.44584754305747 0.98430172080116 0.43635406411173 1.008 > 55 63 H 0.77918087639080 0.98430172080116 0.43635406411173 1.008 > 55 64 H 0.11251420972414 0.31763505413450 0.93635406411173 1.008 > 55 65 H 0.44584754305747 0.31763505413450 0.93635406411173 1.008 > 55 66 H 0.77918087639080 0.31763505413450 0.93635406411173 1.008 > 55 67 H 0.11251420972414 0.65096838746783 0.93635406411173 1.008 > 55 68 H 0.44584754305747 0.65096838746783 0.93635406411173 1.008 > 55 69 H 0.77918087639080 0.65096838746783 0.93635406411173 1.008 > 55 70 H 0.11251420972414 0.98430172080116 0.93635406411173 1.008 > 55 71 H 0.44584754305747 0.98430172080116 0.93635406411173 1.008 > 55 72 H 0.77918087639080 0.98430172080116 0.93635406411173 1.008 > 55 73 H 0.11251420972414 0.18236494586550 0.43635406411173 1.008 > 73 74 H 0.44584754305747 0.18236494586550 0.43635406411173 1.008 > 73 75 H 0.77918087639080 0.18236494586550 0.43635406411173 1.008 > 73 76 H 0.11251420972414 0.51569827919884 0.43635406411173 1.008 > 73 77 H 0.44584754305747 0.51569827919884 0.43635406411173 1.008 > 73 78 H 0.77918087639080 0.51569827919884 0.43635406411173 1.008 > 73 79 H 0.11251420972414 0.84903161253217 0.43635406411173 1.008 > 73 80 H 0.44584754305747 0.84903161253217 0.43635406411173 1.008 > 73 81 H 0.77918087639080 0.84903161253217 0.43635406411173 1.008 > 73 82 H 0.11251420972414 0.18236494586550 0.93635406411173 1.008 > 73 83 H 0.44584754305747 0.18236494586550 0.93635406411173 1.008 > 73 84 H 0.77918087639080 0.18236494586550 0.93635406411173 1.008 > 73 85 H 0.11251420972414 0.51569827919884 0.93635406411173 1.008 > 73 86 H 0.44584754305747 0.51569827919884 0.93635406411173 1.008 > 73 87 H 0.77918087639080 0.51569827919884 0.93635406411173 1.008 > 73 88 H 0.11251420972414 0.84903161253217 0.93635406411173 1.008 > 73 89 H 0.44584754305747 0.84903161253217 0.93635406411173 1.008 > 73 90 H 0.77918087639080 0.84903161253217 0.93635406411173 1.008 > 73 91 H 0.22081912360920 0.01569827919884 0.06364593588827 1.008 > 91 92 H 0.55415245694253 0.01569827919884 0.06364593588827 1.008 > 91 93 H 0.88748579027586 0.01569827919884 0.06364593588827 1.008 > 91 94 H 0.22081912360920 0.34903161253217 0.06364593588827 1.008 > 91 95 H 0.55415245694253 0.34903161253217 0.06364593588827 1.008 > 91 96 H 0.88748579027586 0.34903161253217 0.06364593588827 1.008 > 91 97 H 0.22081912360920 0.68236494586550 0.06364593588827 1.008 > 91 98 H 0.55415245694253 0.68236494586550 0.06364593588827 1.008 > 91 99 H 0.88748579027586 0.68236494586550 0.06364593588827 1.008 > 91 100 H 0.22081912360920 0.01569827919884 0.56364593588827 1.008 > 91 101 H 0.55415245694253 0.01569827919884 0.56364593588827 1.008 > 91 102 H 0.88748579027586 0.01569827919884 0.56364593588827 1.008 > 91 103 H 0.22081912360920 0.34903161253217 0.56364593588827 1.008 > 91 104 H 0.55415245694253 0.34903161253217 0.56364593588827 1.008 > 91 105 H 0.88748579027586 0.34903161253217 0.56364593588827 1.008 > 91 106 H 0.22081912360920 0.68236494586550 0.56364593588827 1.008 > 91 107 H 0.55415245694253 0.68236494586550 0.56364593588827 1.008 > 91 108 H 0.88748579027586 0.68236494586550 0.56364593588827 1.008 > 91 109 N 0.23555557212863 0.08333333333333 0.11541490455310 14.007 > 109 110 N 0.56888890546196 0.08333333333333 0.11541490455310 14.007 > 109 111 N 0.90222223879530 0.08333333333333 0.11541490455310 14.007 > 109 112 N 0.23555557212863 0.41666666666667 0.11541490455310 14.007 > 109 113 N 0.56888890546196 0.41666666666667 0.11541490455310 14.007 > 109 114 N 0.90222223879530 0.41666666666667 0.11541490455310 14.007 > 109 115 N 0.23555557212863 0.75000000000000 0.11541490455310 14.007 > 109 116 N 0.56888890546196 0.75000000000000 0.11541490455310 14.007 > 109 117 N 0.90222223879530 0.75000000000000 0.11541490455310 14.007 > 109 118 N 0.23555557212863 0.08333333333333 0.61541490455310 14.007 > 109 119 N 0.56888890546196 0.08333333333333 0.61541490455310 14.007 > 109 120 N 0.90222223879530 0.08333333333333 0.61541490455310 14.007 > 109 121 N 0.23555557212863 0.41666666666667 0.61541490455310 14.007 > 109 122 N 0.56888890546196 0.41666666666667 0.61541490455310 14.007 > 109 123 N 0.90222223879530 0.41666666666667 0.61541490455310 14.007 > 109 124 N 0.23555557212863 0.75000000000000 0.61541490455310 14.007 > 109 125 N 0.56888890546196 0.75000000000000 0.61541490455310 14.007 > 109 126 N 0.90222223879530 0.75000000000000 0.61541490455310 14.007 > 109 127 N 0.09777776120470 0.25000000000000 0.38458509544690 14.007 > 127 128 N 0.43111109453804 0.25000000000000 0.38458509544690 14.007 > 127 129 N 0.76444442787137 0.25000000000000 0.38458509544690 14.007 > 127 130 N 0.09777776120470 0.58333333333333 0.38458509544690 14.007 > 127 131 N 0.43111109453804 0.58333333333333 0.38458509544690 14.007 > 127 132 N 0.76444442787137 0.58333333333333 0.38458509544690 14.007 > 127 133 N 0.09777776120470 0.91666666666667 0.38458509544690 14.007 > 127 134 N 0.43111109453804 0.91666666666667 0.38458509544690 14.007 > 127 135 N 0.76444442787137 0.91666666666667 0.38458509544690 14.007 > 127 136 N 0.09777776120470 0.25000000000000 0.88458509544690 14.007 > 127 137 N 0.43111109453804 0.25000000000000 0.88458509544690 14.007 > 127 138 N 0.76444442787137 0.25000000000000 0.88458509544690 14.007 > 127 139 N 0.09777776120470 0.58333333333333 0.88458509544690 14.007 > 127 140 N 0.43111109453804 0.58333333333333 0.88458509544690 14.007 > 127 141 N 0.76444442787137 0.58333333333333 0.88458509544690 14.007 > 127 142 N 0.09777776120470 0.91666666666667 0.88458509544690 14.007 > 127 143 N 0.43111109453804 0.91666666666667 0.88458509544690 14.007 > 127 144 N 0.76444442787137 0.91666666666667 0.88458509544690 14.007 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2795121 0.0000000 -0.0125064 0.0000000 2.5694425 0.0000000 -0.0125074 0.0000000 2.7903847 -------------------------- Born effective charges -------------------------- 1 Rb 1.1349906 0.0000000 -0.0110456 0.0000000 1.1258350 0.0000000 -0.0105309 0.0000000 1.1824378 2 Rb 1.1349906 0.0000000 -0.0110456 0.0000000 1.1258350 0.0000000 -0.0105309 0.0000000 1.1824378 3 H 0.2557022 0.0102405 -0.0069270 0.0075409 -0.0335315 0.2032691 0.0044408 0.1929783 -0.0546878 4 H 0.2557022 -0.0102405 -0.0069270 -0.0075409 -0.0335315 -0.2032691 0.0044408 -0.1929783 -0.0546878 5 H 0.2557022 0.0102405 -0.0069270 0.0075409 -0.0335315 0.2032691 0.0044408 0.1929783 -0.0546878 6 H 0.2557022 -0.0102405 -0.0069270 -0.0075409 -0.0335315 -0.2032691 0.0044408 -0.1929783 -0.0546878 7 N -1.6463951 0.0000000 0.0248996 0.0000000 -1.0587721 0.0000000 0.0016494 0.0000000 -1.0730622 8 N -1.6463951 0.0000000 0.0248996 0.0000000 -1.0587721 0.0000000 0.0016494 0.0000000 -1.0730622 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) 0.00000000 (zzx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 13 8 ] 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: 0.84, Number of G-points: 299, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/315) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 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 1.574 ( 0.000 0.000 0.000) 0.000 1.893 ( 0.000 0.000 0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.095 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 6.323 ( 0.000 0.000 0.000) 0.000 6.982 ( 0.000 0.000 0.000) 0.000 10.158 ( 0.000 0.000 0.000) 0.000 11.789 ( 0.000 0.000 0.000) 0.000 11.878 ( 0.000 0.000 0.000) 0.000 14.964 ( 0.000 0.000 0.000) 0.000 15.570 ( 0.000 0.000 0.000) 0.000 44.947 ( 0.000 0.000 0.000) 0.000 45.451 ( 0.000 0.000 0.000) 0.000 97.499 ( 0.000 0.000 0.000) 0.000 97.524 ( 0.000 0.000 0.000) 0.000 99.925 ( 0.000 0.000 0.000) 0.000 99.980 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/315) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( 16.152 0.000 0.989) 16.182 0.429 ( 21.433 0.000 2.262) 21.552 0.643 ( 32.454 0.000 4.499) 32.764 1.579 ( 0.455 0.000 -0.370) 0.587 1.958 ( 6.168 0.000 -1.039) 6.255 2.724 ( -1.878 0.000 -0.513) 1.947 3.066 ( 4.704 0.000 0.330) 4.716 3.611 ( 16.323 0.000 7.876) 18.124 3.689 ( 2.885 0.000 -0.184) 2.891 5.098 ( 10.748 0.000 -58.104) 59.090 6.314 ( -0.599 0.000 -2.441) 2.513 6.761 ( -3.537 0.000 14.841) 15.257 6.978 ( -0.654 0.000 1.433) 1.575 10.149 ( -0.766 0.000 -0.978) 1.242 11.763 ( -2.866 0.000 -1.250) 3.126 11.857 ( -1.945 0.000 1.096) 2.232 15.491 ( -7.465 0.000 0.445) 7.479 16.344 ( 9.873 0.000 -8.820) 13.238 44.947 ( -0.128 0.000 0.617) 0.630 45.444 ( -3.008 0.000 3.215) 4.403 97.497 ( -0.170 0.000 0.383) 0.419 97.525 ( 0.154 0.000 -0.295) 0.332 99.926 ( 0.101 0.000 -0.065) 0.120 99.980 ( 0.034 0.000 -0.055) 0.065 ======================= Grid point 2 (3/315) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 17.736 0.000 -0.019) 17.736 0.809 ( 17.905 0.000 1.671) 17.982 1.237 ( 28.854 0.000 3.100) 29.020 1.585 ( 0.188 0.000 -0.518) 0.551 2.085 ( 7.041 0.000 -1.295) 7.159 2.649 ( -6.040 0.000 0.764) 6.088 3.193 ( 8.274 0.000 0.556) 8.293 3.767 ( 5.348 0.000 -0.359) 5.360 4.065 ( 26.483 0.000 12.339) 29.217 5.132 ( 7.812 0.000 -31.903) 32.846 6.284 ( -1.272 0.000 -5.534) 5.679 6.727 ( -4.348 0.000 10.017) 10.920 6.968 ( -1.009 0.000 2.530) 2.724 10.125 ( -1.260 0.000 -1.600) 2.037 11.665 ( -6.733 0.000 -2.015) 7.028 11.826 ( -1.729 0.000 1.656) 2.394 15.329 ( -9.061 0.000 0.053) 9.061 16.535 ( 11.797 0.000 -4.646) 12.679 44.947 ( -0.038 0.000 1.158) 1.159 45.378 ( -4.533 0.000 1.005) 4.643 97.496 ( -0.072 0.000 0.352) 0.359 97.527 ( 0.077 0.000 -0.385) 0.393 99.929 ( 0.167 0.000 -0.110) 0.200 99.981 ( 0.061 0.000 -0.091) 0.110 ======================= Grid point 3 (4/315) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 18.313 0.000 -1.380) 18.365 1.108 ( 13.314 0.000 0.787) 13.338 1.578 ( -0.790 0.000 -0.288) 0.841 1.737 ( 23.147 0.000 0.720) 23.159 2.191 ( 3.661 0.000 -1.565) 3.981 2.519 ( -7.591 0.000 4.332) 8.741 3.367 ( 9.486 0.000 0.576) 9.503 3.879 ( 6.341 0.000 -0.498) 6.361 4.614 ( 25.601 0.000 14.602) 29.473 5.192 ( 7.713 0.000 -22.979) 24.239 6.234 ( -1.218 0.000 -9.540) 9.618 6.655 ( -6.537 0.000 9.190) 11.277 6.959 ( -0.819 0.000 2.985) 3.095 10.095 ( -1.353 0.000 -1.671) 2.150 11.512 ( -8.273 0.000 -2.007) 8.513 11.801 ( -1.520 0.000 1.448) 2.099 15.167 ( -7.688 0.000 -0.452) 7.702 16.740 ( 10.748 0.000 -2.381) 11.009 44.954 ( 0.312 0.000 1.494) 1.527 45.286 ( -5.155 0.000 0.003) 5.155 97.497 ( 0.116 0.000 0.260) 0.285 97.525 ( -0.102 0.000 -0.336) 0.351 99.932 ( 0.177 0.000 -0.122) 0.215 99.982 ( 0.070 0.000 -0.097) 0.120 ======================= Grid point 4 (5/315) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 17.636 0.000 -2.471) 17.809 1.316 ( 8.731 0.000 -0.252) 8.735 1.554 ( -1.779 0.000 0.361) 1.815 2.084 ( 7.543 0.000 -0.725) 7.578 2.171 ( 0.571 0.000 -3.389) 3.437 2.449 ( -1.669 0.000 8.149) 8.318 3.534 ( 7.539 0.000 0.396) 7.549 3.988 ( 5.031 0.000 -0.491) 5.055 5.069 ( 15.989 0.000 16.482) 22.963 5.277 ( 8.258 0.000 -17.952) 19.760 6.192 ( 1.279 0.000 -13.940) 13.998 6.537 ( -9.064 0.000 9.924) 13.440 6.957 ( -0.275 0.000 2.497) 2.512 10.067 ( -1.048 0.000 -1.218) 1.607 11.360 ( -6.789 0.000 -1.541) 6.962 11.779 ( -1.152 0.000 0.971) 1.507 15.045 ( -4.967 0.000 -0.552) 4.997 16.911 ( 7.544 0.000 -0.907) 7.598 44.969 ( 0.770 0.000 1.466) 1.656 45.192 ( -4.439 0.000 -0.539) 4.472 97.502 ( 0.266 0.000 0.154) 0.308 97.521 ( -0.252 0.000 -0.224) 0.337 99.934 ( 0.132 0.000 -0.095) 0.163 99.983 ( 0.057 0.000 -0.072) 0.092 ======================= Grid point 5 (6/315) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 4.676 0.000 -0.998) 4.781 1.515 ( -2.496 0.000 0.995) 2.687 1.601 ( 15.111 0.000 -2.410) 15.302 1.918 ( -12.814 0.000 1.236) 12.874 2.349 ( 9.185 0.000 -6.004) 10.973 2.441 ( -3.189 0.000 7.768) 8.397 3.636 ( 2.874 0.000 0.134) 2.877 4.054 ( 1.877 0.000 -0.215) 1.889 5.268 ( 2.860 0.000 3.895) 4.832 5.399 ( 5.917 0.000 -2.763) 6.531 6.215 ( 5.426 0.000 -13.268) 14.335 6.391 ( -8.656 0.000 10.155) 13.344 6.961 ( 0.010 0.000 0.990) 0.990 10.050 ( -0.401 0.000 -0.440) 0.595 11.264 ( -2.635 0.000 -0.591) 2.700 11.765 ( -0.439 0.000 0.342) 0.556 14.980 ( -1.696 0.000 -0.236) 1.712 17.008 ( 2.725 0.000 -0.190) 2.731 44.988 ( 0.689 0.000 0.769) 1.032 45.126 ( -2.054 0.000 -0.451) 2.103 97.508 ( 0.317 0.000 0.090) 0.330 97.515 ( -0.311 0.000 -0.117) 0.333 99.936 ( 0.049 0.000 -0.036) 0.060 99.983 ( 0.022 0.000 -0.027) 0.034 ======================= Grid point 11 (7/315) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( 0.000 13.952 0.000) 13.952 0.435 ( 0.000 21.770 0.000) 21.770 0.566 ( 0.000 28.517 0.000) 28.517 1.671 ( 0.000 9.155 0.000) 9.155 1.909 ( 0.000 1.512 0.000) 1.512 2.715 ( 0.000 -2.197 0.000) 2.197 3.109 ( 0.000 1.509 0.000) 1.509 3.442 ( 0.000 -0.012 0.000) 0.012 3.842 ( 0.000 17.564 0.000) 17.564 5.273 ( 0.000 1.316 0.000) 1.316 5.893 ( 0.000 3.539 0.000) 3.539 6.318 ( 0.000 -0.485 0.000) 0.485 8.128 ( 0.000 8.076 0.000) 8.076 10.249 ( 0.000 9.015 0.000) 9.015 11.955 ( 0.000 7.813 0.000) 7.813 12.111 ( 0.000 8.424 0.000) 8.424 14.939 ( 0.000 -2.492 0.000) 2.492 15.542 ( 0.000 -2.878 0.000) 2.878 44.887 ( 0.000 -6.107 0.000) 6.107 45.342 ( 0.000 -10.932 0.000) 10.932 97.509 ( 0.000 1.032 0.000) 1.032 97.534 ( 0.000 1.015 0.000) 1.015 99.950 ( 0.000 0.071 0.000) 0.071 99.980 ( 0.000 -0.030 0.000) 0.030 ======================= Grid point 12 (8/315) ======================= q-point: ( 0.09 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 9.955 9.805 -2.069) 14.125 0.410 ( 12.436 7.621 6.271) 15.876 0.941 ( 24.214 20.575 2.174) 31.849 1.679 ( 0.291 8.986 -0.146) 8.992 1.958 ( 4.899 0.332 -0.522) 4.938 2.679 ( -2.784 -3.100 1.275) 4.357 3.203 ( 6.701 7.235 -1.238) 9.939 3.576 ( 11.236 -0.759 4.426) 12.100 3.893 ( 6.289 17.234 1.835) 18.437 5.168 ( 3.264 5.383 -39.356) 39.857 6.190 ( 11.563 -16.755 16.074) 25.938 6.311 ( 0.282 -1.540 -3.944) 4.243 7.710 ( -21.771 31.681 -0.351) 38.442 10.253 ( -0.376 9.825 -0.182) 9.834 11.870 ( -6.594 8.418 -2.414) 10.962 12.014 ( -1.558 15.434 1.307) 15.567 15.357 ( -0.108 -14.172 1.448) 14.246 15.876 ( 34.116 -23.563 -1.455) 41.488 44.886 ( -0.162 -6.144 0.597) 6.175 45.329 ( -2.156 -11.183 1.615) 11.503 97.508 ( -0.140 1.043 0.260) 1.084 97.535 ( 0.110 0.976 -0.235) 1.010 99.938 ( -0.534 0.666 -0.126) 0.863 99.980 ( 0.019 -0.045 -0.064) 0.080 ======================= Grid point 13 (9/315) ======================= q-point: ( 0.18 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 16.193 2.286 -3.053) 16.636 0.742 ( 17.956 -2.203 6.247) 19.138 1.397 ( 22.736 12.930 1.416) 26.194 1.678 ( -0.265 8.627 -0.367) 8.639 2.064 ( 5.953 -1.924 -1.038) 6.342 2.608 ( -5.567 -3.514 1.642) 6.785 3.328 ( 7.121 10.730 -0.652) 12.894 3.794 ( 8.881 1.970 1.718) 9.257 4.154 ( 19.589 9.178 9.680) 23.699 5.156 ( 6.103 2.507 -29.141) 29.879 6.258 ( -1.684 -2.935 -3.944) 5.197 6.377 ( 3.118 -16.681 7.377) 18.504 7.441 ( -9.658 29.553 3.235) 31.259 10.234 ( -1.296 10.537 -0.988) 10.662 11.752 ( -5.554 8.657 -2.031) 10.484 12.006 ( -0.450 17.802 1.650) 17.883 15.261 ( -7.170 -6.666 0.413) 9.798 16.350 ( 19.118 -15.807 -2.813) 24.965 44.886 ( -0.087 -6.235 1.089) 6.330 45.272 ( -4.055 -10.562 0.708) 11.335 97.506 ( -0.069 1.049 0.308) 1.095 97.536 ( 0.048 0.918 -0.344) 0.982 99.933 ( -0.049 0.359 -0.124) 0.382 99.980 ( 0.035 -0.086 -0.088) 0.127 ======================= Grid point 14 (10/315) ======================= q-point: ( 0.27 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 17.044 -0.671 -3.666) 17.446 1.076 ( 15.160 -2.093 4.592) 15.978 1.650 ( -0.647 6.817 -0.213) 6.851 1.806 ( 18.161 6.294 -0.434) 19.226 2.155 ( 3.278 -3.466 -1.346) 4.957 2.487 ( -7.515 -3.069 4.191) 9.136 3.471 ( 7.927 9.351 0.023) 12.259 3.936 ( 6.576 5.192 -0.333) 8.385 4.601 ( 21.533 -1.050 13.780) 25.586 5.199 ( 6.717 0.664 -22.413) 23.408 6.198 ( -2.045 -3.593 -9.656) 10.504 6.417 ( -1.442 -15.009 8.693) 17.405 7.312 ( -5.667 26.634 3.696) 27.480 10.203 ( -1.488 10.621 -1.237) 10.796 11.643 ( -5.302 12.651 -1.949) 13.855 12.001 ( -0.568 20.284 1.697) 20.363 15.126 ( -6.709 -4.035 -0.109) 7.829 16.646 ( 13.658 -8.946 -1.792) 16.425 44.891 ( 0.237 -6.380 1.391) 6.534 45.188 ( -4.733 -9.806 -0.066) 10.888 97.508 ( 0.100 1.025 0.237) 1.057 97.534 ( -0.113 0.890 -0.306) 0.948 99.933 ( 0.067 0.121 -0.131) 0.190 99.980 ( 0.046 -0.133 -0.084) 0.164 ======================= Grid point 15 (11/315) ======================= q-point: ( 0.36 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 13.852 -2.992 -3.849) 14.685 1.344 ( 12.588 0.884 2.445) 12.853 1.623 ( -1.642 6.444 0.501) 6.669 2.091 ( 6.207 0.667 -1.705) 6.471 2.136 ( 0.222 -3.362 -2.994) 4.508 2.402 ( -2.724 -4.475 7.470) 9.123 3.612 ( 6.538 7.388 0.235) 9.868 4.043 ( 4.697 5.146 -0.638) 6.997 4.998 ( 14.642 -6.882 15.930) 22.705 5.259 ( 6.199 -1.646 -18.394) 19.480 6.134 ( -0.468 -6.072 -13.500) 14.810 6.380 ( -5.410 -12.152 9.971) 16.624 7.245 ( -2.588 25.331 2.830) 25.619 10.174 ( -1.147 10.529 -0.977) 10.636 11.547 ( -4.025 18.159 -1.524) 18.662 11.996 ( -0.505 21.821 1.304) 21.865 15.018 ( -4.528 -2.679 -0.281) 5.269 16.857 ( 9.026 -5.237 -0.725) 10.460 44.904 ( 0.691 -6.564 1.366) 6.740 45.101 ( -4.115 -9.100 -0.536) 10.001 97.511 ( 0.242 0.979 0.138) 1.018 97.530 ( -0.248 0.891 -0.201) 0.946 99.934 ( 0.068 -0.033 -0.104) 0.129 99.981 ( 0.041 -0.168 -0.058) 0.182 ======================= Grid point 16 (12/315) ======================= q-point: ( 0.45 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 5.311 -2.049 -1.312) 5.842 1.535 ( 2.622 2.249 -0.211) 3.460 1.652 ( 8.859 4.160 0.364) 9.794 1.919 ( -11.936 0.052 0.275) 11.939 2.298 ( 7.817 -4.936 -5.303) 10.658 2.383 ( -3.034 -5.428 6.822) 9.231 3.702 ( 2.551 6.321 0.112) 6.817 4.103 ( 1.711 4.659 -0.293) 4.972 5.226 ( 4.100 -5.387 13.142) 14.783 5.306 ( 3.716 -7.504 -12.838) 15.327 6.109 ( 1.613 -10.600 -9.762) 14.500 6.299 ( -4.818 -7.827 7.316) 11.747 7.225 ( -0.486 24.846 1.074) 24.874 10.157 ( -0.428 10.464 -0.367) 10.479 11.490 ( -1.522 22.000 -0.590) 22.060 11.992 ( -0.203 22.502 0.492) 22.509 14.959 ( -1.583 -2.137 -0.133) 2.663 16.973 ( 3.215 -3.442 -0.155) 4.713 44.922 ( 0.675 -6.681 0.736) 6.755 45.039 ( -1.950 -8.680 -0.451) 8.908 97.517 ( 0.285 0.923 0.074) 0.969 97.524 ( -0.287 0.920 -0.099) 0.969 99.935 ( 0.026 -0.115 -0.040) 0.124 99.982 ( 0.017 -0.185 -0.020) 0.187 ======================= Grid point 22 (13/315) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 0.000 15.126 0.000) 15.126 0.843 ( 0.000 19.715 0.000) 19.715 1.106 ( 0.000 26.424 0.000) 26.424 1.894 ( 0.000 12.708 0.000) 12.708 1.947 ( 0.000 2.203 0.000) 2.203 2.652 ( 0.000 -4.219 0.000) 4.219 3.154 ( 0.000 3.029 0.000) 3.029 3.444 ( 0.000 0.290 0.000) 0.290 4.292 ( 0.000 26.774 0.000) 26.774 5.311 ( 0.000 2.527 0.000) 2.527 5.973 ( 0.000 3.952 0.000) 3.952 6.307 ( 0.000 -0.505 0.000) 0.505 8.368 ( 0.000 16.475 0.000) 16.475 10.491 ( 0.000 14.908 0.000) 14.908 12.173 ( 0.000 14.088 0.000) 14.088 12.345 ( 0.000 15.156 0.000) 15.156 14.871 ( 0.000 -4.319 0.000) 4.319 15.458 ( 0.000 -5.716 0.000) 5.716 44.714 ( 0.000 -11.327 0.000) 11.327 45.042 ( 0.000 -19.129 0.000) 19.129 97.538 ( 0.000 1.860 0.000) 1.860 97.562 ( 0.000 1.800 0.000) 1.800 99.952 ( 0.000 0.112 0.000) 0.112 99.979 ( 0.000 -0.076 0.000) 0.076 ======================= Grid point 23 (14/315) ======================= q-point: ( 0.09 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 6.398 12.708 2.415) 14.431 0.705 ( -5.572 19.061 0.099) 19.859 1.349 ( 17.322 20.528 1.145) 26.884 1.891 ( -0.068 11.657 0.130) 11.658 1.973 ( 2.182 1.390 -0.528) 2.641 2.608 ( -3.961 -4.339 1.935) 6.185 3.288 ( 11.562 2.465 -1.900) 11.974 3.575 ( 11.581 0.266 2.713) 11.898 4.315 ( 2.472 24.563 1.134) 24.713 5.266 ( -0.144 4.487 -18.905) 19.431 6.040 ( 3.974 -1.708 8.291) 9.351 6.283 ( -2.115 -1.624 -2.866) 3.915 8.224 ( -11.688 24.195 0.245) 26.871 10.504 ( 0.610 15.104 0.816) 15.139 12.079 ( -6.222 13.005 -2.354) 14.608 12.395 ( 4.018 22.663 1.804) 23.087 15.059 ( 8.590 -13.323 1.851) 15.960 15.604 ( 18.011 -9.148 -0.205) 20.202 44.712 ( -0.223 -11.360 0.478) 11.372 45.028 ( -1.623 -18.982 0.460) 19.057 97.537 ( -0.104 1.877 0.174) 1.888 97.562 ( 0.020 1.755 -0.182) 1.764 99.947 ( -0.411 0.297 -0.090) 0.515 99.978 ( -0.027 -0.106 -0.057) 0.123 ======================= Grid point 24 (15/315) ======================= q-point: ( 0.18 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 8.438 8.379 -1.572) 11.995 0.803 ( 11.534 7.026 5.537) 14.596 1.667 ( 15.095 13.883 0.107) 20.508 1.883 ( -0.689 11.620 -0.070) 11.640 2.020 ( 2.963 -2.316 -0.926) 3.873 2.525 ( -5.657 -4.867 2.326) 7.817 3.498 ( 10.300 5.235 -1.763) 11.688 3.829 ( 12.958 1.611 4.128) 13.695 4.406 ( 6.569 15.720 4.428) 17.604 5.223 ( 2.552 3.978 -21.996) 22.498 6.127 ( 2.053 -6.969 7.999) 10.806 6.208 ( -4.518 -4.800 -5.058) 8.308 8.028 ( -8.661 30.757 2.171) 32.027 10.504 ( -0.871 16.029 0.258) 16.054 11.990 ( -2.290 15.274 -1.701) 15.538 12.485 ( 4.393 29.968 1.963) 30.352 15.092 ( -2.814 -9.912 1.190) 10.372 16.033 ( 23.464 -15.046 -0.819) 27.885 44.710 ( -0.209 -11.487 0.864) 11.521 44.984 ( -3.050 -18.237 0.230) 18.492 97.536 ( -0.070 1.884 0.236) 1.900 97.562 ( -0.032 1.665 -0.268) 1.687 99.940 ( -0.278 0.292 -0.132) 0.424 99.977 ( -0.040 -0.181 -0.067) 0.197 ======================= Grid point 25 (16/315) ======================= q-point: ( 0.27 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 14.108 1.385 -3.639) 14.636 1.069 ( 13.981 1.753 6.597) 15.558 1.817 ( -0.925 9.445 -0.038) 9.490 1.951 ( 9.680 7.916 -1.435) 12.586 2.069 ( 2.045 -4.893 -1.117) 5.420 2.409 ( -7.331 -4.624 3.447) 9.328 3.660 ( 7.581 8.097 -0.845) 11.124 4.047 ( 8.679 5.308 0.772) 10.203 4.593 ( 10.402 0.846 9.944) 14.415 5.217 ( 3.562 1.140 -20.456) 20.795 6.084 ( -6.427 -9.193 -6.283) 12.857 6.165 ( -0.391 -9.117 6.811) 11.387 7.911 ( -4.735 34.024 2.842) 34.469 10.479 ( -1.581 16.510 -0.284) 16.588 11.978 ( 1.294 21.030 -1.268) 21.108 12.560 ( 2.684 35.365 2.034) 35.525 15.021 ( -4.372 -6.456 0.779) 7.836 16.429 ( 18.520 -12.287 -0.803) 22.240 44.711 ( 0.046 -11.716 1.085) 11.766 44.919 ( -3.642 -17.062 -0.190) 17.447 97.536 ( 0.054 1.840 0.185) 1.850 97.559 ( -0.148 1.608 -0.233) 1.632 99.935 ( -0.151 0.097 -0.151) 0.235 99.977 ( -0.026 -0.269 -0.047) 0.274 ======================= Grid point 26 (17/315) ======================= q-point: ( 0.36 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 13.228 -0.555 -4.053) 13.846 1.348 ( 13.097 -0.181 5.123) 14.064 1.773 ( -2.835 7.974 0.749) 8.496 2.051 ( -3.675 -4.637 -1.766) 6.174 2.106 ( 5.952 0.416 -2.500) 6.469 2.300 ( -4.455 -4.895 4.646) 8.087 3.784 ( 5.569 8.918 0.009) 10.514 4.165 ( 4.371 6.729 -1.313) 8.131 4.827 ( 9.602 -9.917 13.370) 19.217 5.215 ( 2.332 -3.007 -18.751) 19.133 5.941 ( -6.264 -13.341 -5.198) 15.628 6.159 ( -1.983 -9.208 4.945) 10.639 7.860 ( -1.778 36.170 2.272) 36.284 10.449 ( -1.343 16.526 -0.414) 16.585 12.017 ( 2.813 28.629 -1.008) 28.785 12.596 ( 0.616 38.091 1.737) 38.135 14.947 ( -3.414 -4.399 0.440) 5.585 16.721 ( 12.327 -8.321 -0.384) 14.877 44.719 ( 0.485 -12.022 1.077) 12.079 44.852 ( -3.240 -15.866 -0.502) 16.201 97.539 ( 0.172 1.757 0.096) 1.768 97.555 ( -0.238 1.607 -0.139) 1.630 99.933 ( -0.083 -0.099 -0.126) 0.180 99.976 ( -0.008 -0.340 -0.022) 0.341 ======================= Grid point 27 (18/315) ======================= q-point: ( 0.45 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 6.441 -0.047 -2.039) 6.756 1.571 ( 7.756 0.762 1.895) 8.020 1.738 ( -0.024 3.612 0.885) 3.718 1.914 ( -8.197 -0.671 -0.553) 8.243 2.175 ( 1.938 -6.707 -1.581) 7.159 2.272 ( -0.536 -4.538 2.113) 5.035 3.860 ( 2.175 9.128 0.126) 9.384 4.215 ( 1.410 6.104 -0.735) 6.307 5.012 ( 4.925 -14.694 12.255) 19.757 5.179 ( -0.327 -6.911 -14.131) 15.734 5.840 ( -2.699 -15.056 -1.979) 15.423 6.136 ( -1.224 -8.292 1.923) 8.600 7.848 ( -0.301 37.044 0.864) 37.056 10.429 ( -0.512 16.426 -0.184) 16.435 12.060 ( 1.498 34.482 -0.443) 34.518 12.602 ( -0.175 38.425 0.733) 38.432 14.902 ( -1.277 -3.490 0.141) 3.719 16.880 ( 4.396 -5.879 -0.088) 7.341 44.735 ( 0.689 -12.186 0.664) 12.224 44.801 ( -1.717 -15.170 -0.467) 15.274 97.543 ( 0.194 1.653 0.033) 1.665 97.550 ( -0.217 1.661 -0.050) 1.676 99.931 ( -0.028 -0.215 -0.049) 0.223 99.976 ( -0.000 -0.379 -0.005) 0.379 ======================= Grid point 33 (19/315) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 0.000 15.801 0.000) 15.801 1.199 ( 0.000 16.570 0.000) 16.570 1.586 ( 0.000 22.112 0.000) 22.112 1.992 ( 0.000 2.547 0.000) 2.547 2.143 ( 0.000 12.326 0.000) 12.326 2.551 ( 0.000 -6.068 0.000) 6.068 3.225 ( 0.000 4.180 0.000) 4.180 3.455 ( 0.000 0.751 0.000) 0.751 4.832 ( 0.000 27.277 0.000) 27.277 5.371 ( 0.000 3.670 0.000) 3.670 6.021 ( 0.000 0.403 0.000) 0.403 6.305 ( 0.000 0.421 0.000) 0.421 8.767 ( 0.000 24.070 0.000) 24.070 10.793 ( 0.000 14.780 0.000) 14.780 12.490 ( 0.000 17.917 0.000) 17.917 12.684 ( 0.000 18.850 0.000) 18.850 14.779 ( 0.000 -4.865 0.000) 4.865 15.319 ( 0.000 -8.396 0.000) 8.396 44.456 ( 0.000 -14.691 0.000) 14.691 44.625 ( 0.000 -22.526 0.000) 22.526 97.579 ( 0.000 2.309 0.000) 2.309 97.602 ( 0.000 2.167 0.000) 2.167 99.954 ( 0.000 0.116 0.000) 0.116 99.977 ( 0.000 -0.138 0.000) 0.138 ======================= Grid point 34 (20/315) ======================= q-point: ( 0.09 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 2.967 14.303 1.188) 14.656 1.075 ( -8.869 18.031 0.374) 20.097 1.726 ( 10.748 17.222 0.603) 20.309 1.990 ( 0.025 2.015 -0.568) 2.093 2.136 ( -0.905 11.652 0.134) 11.688 2.508 ( -4.236 -5.863 1.605) 7.409 3.328 ( 9.918 2.002 -1.743) 10.267 3.581 ( 11.789 0.366 1.738) 11.922 4.805 ( -2.792 24.568 0.144) 24.727 5.349 ( -0.559 4.124 -9.708) 10.563 6.030 ( 0.401 -0.801 2.353) 2.518 6.251 ( -5.555 -1.450 -0.656) 5.778 8.724 ( -3.907 27.535 0.448) 27.814 10.808 ( 0.957 14.802 1.365) 14.895 12.374 ( -5.568 16.942 -1.793) 17.923 12.874 ( 13.284 25.485 2.663) 28.863 14.844 ( 4.388 -9.220 1.162) 10.277 15.433 ( 12.602 -8.800 0.217) 15.372 44.453 ( -0.261 -14.722 0.271) 14.727 44.616 ( -1.009 -22.217 0.067) 22.240 97.579 ( -0.078 2.318 0.142) 2.324 97.601 ( -0.068 2.129 -0.143) 2.135 99.951 ( -0.303 0.159 -0.075) 0.350 99.975 ( -0.100 -0.177 -0.032) 0.206 ======================= Grid point 35 (21/315) ======================= q-point: ( 0.18 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -1.403 14.343 0.733) 14.431 0.976 ( 6.259 10.236 2.557) 12.267 1.907 ( 6.413 7.233 0.602) 9.685 1.997 ( 1.821 3.285 -1.842) 4.183 2.110 ( -1.577 11.027 0.159) 11.140 2.419 ( -5.604 -5.902 1.907) 8.359 3.539 ( 11.879 -0.113 -1.829) 12.020 3.848 ( 14.409 0.069 3.757) 14.891 4.736 ( -4.334 17.274 0.388) 17.814 5.300 ( -0.308 3.720 -15.162) 15.615 6.038 ( -1.563 -3.063 5.137) 6.182 6.100 ( -9.067 -6.223 -2.892) 11.372 8.654 ( -3.280 33.275 1.441) 33.467 10.821 ( -0.275 15.307 1.312) 15.365 12.337 ( 2.246 19.958 -0.760) 20.098 13.126 ( 11.909 34.292 2.642) 36.397 14.893 ( 0.345 -10.155 1.752) 10.311 15.774 ( 21.674 -11.716 -0.035) 24.638 44.449 ( -0.334 -14.849 0.481) 14.861 44.589 ( -1.834 -21.278 -0.037) 21.357 97.577 ( -0.084 2.316 0.191) 2.325 97.599 ( -0.132 2.047 -0.196) 2.060 99.944 ( -0.386 0.145 -0.138) 0.435 99.973 ( -0.152 -0.274 -0.027) 0.315 ======================= Grid point 36 (22/315) ======================= q-point: ( 0.27 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 7.682 6.701 0.100) 10.195 1.141 ( 9.748 5.398 3.558) 11.697 1.929 ( -2.395 -2.654 0.271) 3.586 2.037 ( 0.189 5.780 -0.601) 5.814 2.109 ( 1.690 8.028 -0.838) 8.246 2.316 ( -5.270 -4.371 0.972) 6.916 3.740 ( 9.944 0.130 -1.560) 10.067 4.117 ( 12.045 1.202 3.732) 12.667 4.658 ( -3.828 6.033 2.296) 7.505 5.238 ( -1.033 0.868 -17.806) 17.857 5.876 ( -12.263 -10.266 3.525) 16.377 6.035 ( -1.158 -5.715 -0.175) 5.834 8.616 ( -1.331 37.340 1.889) 37.411 10.806 ( -1.480 15.800 0.678) 15.884 12.442 ( 8.378 25.796 -0.074) 27.122 13.320 ( 7.435 40.740 2.459) 41.486 14.883 ( -1.640 -7.471 1.828) 7.864 16.191 ( 21.472 -11.648 -0.216) 24.429 44.445 ( -0.194 -15.125 0.578) 15.137 44.550 ( -2.183 -19.868 -0.206) 19.989 97.577 ( -0.017 2.262 0.136) 2.267 97.595 ( -0.196 1.985 -0.147) 2.000 99.936 ( -0.348 0.009 -0.172) 0.388 99.970 ( -0.139 -0.393 0.000) 0.417 ======================= Grid point 37 (23/315) ======================= q-point: ( 0.36 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 11.689 1.995 -1.791) 11.992 1.352 ( 10.912 1.181 4.412) 11.830 1.854 ( -5.263 -2.413 0.048) 5.790 1.999 ( -4.727 0.184 1.370) 4.925 2.111 ( -0.955 1.679 0.719) 2.061 2.252 ( -1.196 0.390 -2.666) 2.948 3.906 ( 7.965 2.412 -0.321) 8.328 4.289 ( 4.861 5.444 -1.173) 7.392 4.634 ( 0.379 -9.029 8.009) 12.075 5.136 ( -4.053 -5.123 -17.768) 18.931 5.685 ( -8.318 -10.871 3.860) 14.222 6.008 ( -1.643 -6.847 0.263) 7.046 8.610 ( -0.099 39.430 1.485) 39.458 10.777 ( -1.528 15.896 0.217) 15.971 12.622 ( 9.822 32.237 -0.034) 33.701 13.417 ( 2.262 44.167 2.010) 44.271 14.853 ( -1.857 -5.039 1.354) 5.539 16.547 ( 15.542 -9.109 -0.161) 18.016 44.446 ( 0.140 -15.618 0.553) 15.628 44.509 ( -1.961 -18.302 -0.320) 18.410 97.578 ( 0.069 2.162 0.045) 2.163 97.590 ( -0.223 1.982 -0.056) 1.995 99.930 ( -0.246 -0.157 -0.144) 0.325 99.968 ( -0.090 -0.499 0.016) 0.508 ======================= Grid point 38 (24/315) ======================= q-point: ( 0.45 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 7.870 2.085 -2.293) 8.459 1.558 ( 8.501 -1.791 4.202) 9.651 1.739 ( -6.201 -3.694 -1.772) 7.432 1.885 ( -5.926 -3.055 2.112) 6.994 2.107 ( 0.123 1.583 0.398) 1.637 2.232 ( -0.354 0.280 -1.976) 2.027 4.025 ( 3.806 6.640 0.377) 7.663 4.313 ( -0.116 3.263 -2.113) 3.889 4.704 ( 2.569 -15.971 7.774) 17.947 4.999 ( -4.016 -11.118 -10.374) 15.728 5.596 ( -2.353 -8.621 1.606) 9.079 5.983 ( -0.809 -7.236 0.133) 7.282 8.615 ( 0.117 40.166 0.549) 40.170 10.756 ( -0.625 15.814 0.035) 15.827 12.771 ( 4.773 36.727 -0.105) 37.036 13.434 ( -0.282 45.177 0.874) 45.186 14.829 ( -0.794 -3.777 0.490) 3.891 16.752 ( 5.681 -7.096 -0.050) 9.090 44.455 ( 0.633 -16.575 0.447) 16.593 44.476 ( -1.312 -16.700 -0.369) 16.755 97.579 ( 0.084 2.045 -0.007) 2.046 97.587 ( -0.140 2.039 0.003) 2.044 99.927 ( -0.089 -0.262 -0.056) 0.283 99.967 ( -0.030 -0.562 0.009) 0.562 ======================= Grid point 44 (25/315) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 0.000 15.571 0.000) 15.571 1.488 ( 0.000 12.956 0.000) 12.956 1.903 ( 0.000 7.089 0.000) 7.089 2.099 ( 0.000 11.177 0.000) 11.177 2.363 ( 0.000 9.882 0.000) 9.882 2.417 ( 0.000 -7.582 0.000) 7.582 3.312 ( 0.000 4.469 0.000) 4.469 3.471 ( 0.000 0.882 0.000) 0.882 5.318 ( 0.000 20.583 0.000) 20.583 5.464 ( 0.000 7.193 0.000) 7.193 5.985 ( 0.000 -3.725 0.000) 3.725 6.316 ( 0.000 0.279 0.000) 0.279 9.291 ( 0.000 28.846 0.000) 28.846 11.020 ( 0.000 7.392 0.000) 7.392 12.857 ( 0.000 19.134 0.000) 19.134 13.057 ( 0.000 18.617 0.000) 18.617 14.691 ( 0.000 -3.925 0.000) 3.925 15.133 ( 0.000 -10.557 0.000) 10.557 44.158 ( 0.000 -15.201 0.000) 15.201 44.197 ( 0.000 -20.335 0.000) 20.335 97.625 ( 0.000 2.269 0.000) 2.269 97.644 ( 0.000 2.010 0.000) 2.010 99.956 ( 0.000 0.107 0.000) 0.107 99.973 ( 0.000 -0.196 0.000) 0.196 ======================= Grid point 45 (26/315) ======================= q-point: ( 0.09 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 0.534 14.472 0.325) 14.485 1.395 ( -8.129 14.486 0.848) 16.633 1.924 ( 0.623 1.945 0.084) 2.044 2.127 ( 3.182 12.824 -1.077) 13.256 2.319 ( -4.502 2.332 5.051) 7.157 2.403 ( -1.297 -0.395 -3.420) 3.678 3.374 ( 6.613 2.710 -1.352) 7.273 3.586 ( 10.654 0.024 1.070) 10.708 5.248 ( -7.003 19.994 -1.672) 21.251 5.436 ( -1.775 5.299 -5.735) 8.008 5.981 ( -0.410 -4.272 -1.088) 4.428 6.226 ( -9.586 -1.384 1.931) 9.876 9.298 ( 0.658 30.716 0.606) 30.729 11.037 ( 1.193 7.592 1.642) 7.859 12.733 ( -4.196 19.495 -0.845) 19.959 13.354 ( 21.433 22.488 3.202) 31.230 14.688 ( -0.082 -6.665 0.693) 6.702 15.254 ( 12.170 -9.478 0.539) 15.435 44.154 ( -0.374 -15.476 -0.110) 15.481 44.196 ( -0.221 -19.755 0.087) 19.757 97.624 ( -0.074 2.264 0.123) 2.268 97.642 ( -0.131 1.991 -0.101) 1.998 99.954 ( -0.289 0.107 -0.075) 0.317 99.971 ( -0.183 -0.235 -0.009) 0.298 ======================= Grid point 46 (27/315) ======================= q-point: ( 0.18 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 1.923 11.344 0.534) 11.518 1.253 ( -5.832 14.333 1.832) 15.582 1.904 ( -2.416 -2.505 -0.370) 3.500 2.173 ( -0.923 7.235 2.318) 7.653 2.263 ( -0.683 0.983 0.901) 1.498 2.347 ( -3.258 4.203 -2.976) 6.094 3.528 ( 9.466 -0.332 -1.805) 9.642 3.828 ( 13.396 -2.099 2.594) 13.806 5.060 ( -11.652 15.520 -2.622) 19.584 5.367 ( -2.678 3.209 -11.796) 12.514 5.953 ( -4.011 -6.801 -3.371) 8.585 5.995 ( -13.171 -3.465 6.837) 15.238 9.318 ( 1.084 34.101 1.168) 34.138 11.060 ( 0.244 8.165 1.953) 8.399 12.758 ( 6.697 22.695 0.514) 23.668 13.771 ( 20.099 29.998 3.525) 36.281 14.701 ( 1.023 -9.095 1.741) 9.317 15.567 ( 20.052 -9.633 0.382) 22.249 44.145 ( -0.541 -15.957 -0.188) 15.967 44.189 ( -0.455 -18.446 0.114) 18.452 97.623 ( -0.112 2.240 0.166) 2.249 97.638 ( -0.215 1.944 -0.129) 1.960 99.946 ( -0.466 0.069 -0.145) 0.493 99.967 ( -0.284 -0.338 0.008) 0.442 ======================= Grid point 47 (28/315) ======================= q-point: ( 0.27 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 0.394 8.841 2.156) 9.108 1.276 ( 5.493 8.429 0.932) 10.104 1.841 ( -3.997 -4.875 -0.560) 6.329 2.095 ( -7.048 -2.760 5.420) 9.310 2.267 ( -2.674 7.908 -0.941) 8.400 2.296 ( 1.336 3.645 -5.094) 6.404 3.700 ( 9.277 -3.100 -1.963) 9.976 4.083 ( 12.048 -4.461 4.194) 13.515 4.810 ( -13.371 8.655 -3.460) 16.299 5.246 ( -6.258 -0.182 -15.850) 17.042 5.708 ( -13.655 -6.597 7.009) 16.707 5.926 ( -2.393 -5.484 0.182) 5.987 9.343 ( 1.145 36.346 1.283) 36.387 11.055 ( -1.249 8.718 1.374) 8.913 12.964 ( 13.809 26.945 1.218) 30.302 14.094 ( 12.589 37.019 3.084) 39.222 14.730 ( 1.143 -8.049 2.435) 8.486 15.980 ( 22.532 -10.005 0.078) 24.653 44.134 ( -0.525 -16.295 -0.243) 16.305 44.180 ( -0.553 -16.999 0.125) 17.008 97.621 ( -0.095 2.182 0.107) 2.187 97.634 ( -0.242 1.902 -0.069) 1.919 99.936 ( -0.494 -0.026 -0.179) 0.525 99.961 ( -0.280 -0.473 0.032) 0.551 ======================= Grid point 48 (29/315) ======================= q-point: ( 0.36 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 6.646 2.511 1.674) 7.299 1.410 ( 7.830 4.691 1.244) 9.212 1.749 ( -5.560 -6.372 -0.748) 8.490 1.962 ( -8.458 -3.636 4.479) 10.238 2.216 ( -1.876 7.034 -0.462) 7.295 2.295 ( -0.200 3.327 -5.026) 6.031 3.872 ( 9.716 -4.890 -1.142) 10.937 4.297 ( 8.888 -7.190 4.831) 12.411 4.549 ( -12.785 2.377 -3.471) 13.459 5.026 ( -11.237 -5.479 -12.321) 17.553 5.549 ( -5.517 -3.204 5.222) 8.244 5.883 ( -2.117 -6.008 -0.023) 6.370 9.367 ( 0.914 37.247 0.920) 37.269 11.029 ( -1.580 8.988 0.722) 9.155 13.242 ( 14.075 30.308 0.921) 33.429 14.265 ( 4.886 41.234 2.300) 41.586 14.752 ( 0.326 -5.334 2.052) 5.724 16.370 ( 17.576 -9.073 -0.045) 19.779 44.124 ( -0.378 -16.411 -0.228) 16.417 44.171 ( -0.440 -15.847 0.117) 15.854 97.620 ( -0.041 2.090 0.009) 2.090 97.629 ( -0.207 1.901 0.019) 1.913 99.927 ( -0.373 -0.135 -0.146) 0.422 99.957 ( -0.197 -0.601 0.035) 0.634 ======================= Grid point 49 (30/315) ======================= q-point: ( 0.45 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 9.140 -2.012 -0.115) 9.360 1.544 ( 2.459 1.037 3.423) 4.341 1.634 ( -4.056 -5.477 -3.019) 7.454 1.823 ( -6.451 -2.546 2.457) 7.358 2.197 ( -0.202 5.912 0.243) 5.921 2.267 ( -0.894 2.870 -2.642) 4.002 4.059 ( 9.618 -4.338 -0.010) 10.551 4.313 ( -10.321 -6.957 -0.753) 12.469 4.447 ( 4.689 -5.317 2.293) 7.451 4.807 ( -7.102 -7.036 -5.420) 11.372 5.503 ( -1.186 -1.594 1.468) 2.470 5.853 ( -0.882 -6.126 -0.012) 6.189 9.381 ( 0.361 37.483 0.324) 37.486 11.008 ( -0.687 9.062 0.218) 9.091 13.449 ( 6.347 31.723 0.249) 32.352 14.314 ( 0.539 43.548 0.982) 43.563 14.758 ( -0.012 -3.476 0.747) 3.556 16.604 ( 6.579 -8.095 -0.030) 10.432 44.119 ( -0.138 -16.393 -0.096) 16.394 44.165 ( -0.166 -15.243 0.051) 15.244 97.620 ( -0.000 1.998 -0.024) 1.998 97.626 ( -0.090 1.937 0.034) 1.940 99.922 ( -0.139 -0.204 -0.056) 0.253 99.954 ( -0.070 -0.680 0.014) 0.683 ======================= Grid point 55 (31/315) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.000 14.247 0.000) 14.247 1.708 ( 0.000 9.744 0.000) 9.744 1.934 ( 0.000 -1.417 0.000) 1.417 2.234 ( 0.000 -7.693 0.000) 7.693 2.369 ( 0.000 10.303 0.000) 10.303 2.520 ( 0.000 5.927 0.000) 5.927 3.393 ( 0.000 3.723 0.000) 3.723 3.485 ( 0.000 0.373 0.000) 0.373 5.523 ( 0.000 5.848 0.000) 5.848 5.757 ( 0.000 17.085 0.000) 17.085 5.888 ( 0.000 -5.927 0.000) 5.927 6.300 ( 0.000 -2.274 0.000) 2.274 9.868 ( 0.000 29.451 0.000) 29.451 11.050 ( 0.000 -4.817 0.000) 4.817 13.218 ( 0.000 17.150 0.000) 17.150 13.382 ( 0.000 13.731 0.000) 13.731 14.632 ( 0.000 -1.948 0.000) 1.948 14.916 ( 0.000 -11.149 0.000) 11.149 43.862 ( 0.000 -13.375 0.000) 13.375 43.885 ( 0.000 -12.109 0.000) 12.109 97.665 ( 0.000 1.725 0.000) 1.725 97.677 ( 0.000 1.349 0.000) 1.349 99.959 ( 0.000 0.118 0.000) 0.118 99.969 ( 0.000 -0.222 0.000) 0.222 ======================= Grid point 56 (32/315) ======================= q-point: ( 0.09 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -1.335 13.368 -0.418) 13.441 1.642 ( -6.494 10.888 1.439) 12.760 1.911 ( -2.362 -2.321 -0.519) 3.352 2.196 ( -4.654 -8.758 3.437) 10.496 2.370 ( 0.816 10.618 -0.742) 10.675 2.513 ( -0.747 5.453 -2.502) 6.046 3.433 ( 4.506 3.255 -0.911) 5.633 3.578 ( 8.576 -0.905 0.481) 8.637 5.498 ( -1.667 6.236 -6.378) 9.075 5.639 ( -11.232 14.609 -3.378) 18.735 5.875 ( -1.460 -6.023 0.303) 6.205 6.182 ( -12.250 -3.400 2.949) 13.051 9.901 ( 2.930 30.252 0.976) 30.409 11.074 ( 1.860 -4.312 1.749) 5.011 13.121 ( -1.608 19.735 0.254) 19.802 13.696 ( 23.266 10.659 3.235) 25.795 14.604 ( -1.103 -0.800 0.505) 1.453 15.065 ( 13.600 -9.801 0.736) 16.780 43.858 ( -0.214 -12.998 -0.410) 13.006 43.887 ( 0.211 -12.257 0.152) 12.260 97.664 ( -0.094 1.708 0.097) 1.713 97.676 ( -0.158 1.349 -0.050) 1.360 99.956 ( -0.307 0.110 -0.069) 0.333 99.967 ( -0.256 -0.253 -0.004) 0.360 ======================= Grid point 57 (33/315) ======================= q-point: ( 0.18 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -1.555 10.879 -0.980) 11.034 1.512 ( -6.756 12.037 2.785) 14.081 1.843 ( -4.435 -3.749 -0.773) 5.859 2.097 ( -6.798 -8.263 5.086) 11.848 2.390 ( 1.410 7.741 -3.104) 8.459 2.470 ( -2.781 5.337 -2.355) 6.462 3.540 ( 6.628 1.769 -1.628) 7.051 3.769 ( 10.530 -3.830 1.348) 11.285 5.331 ( -16.777 11.897 -6.577) 21.593 5.429 ( -5.072 3.184 -11.975) 13.389 5.818 ( -7.189 -6.291 1.617) 9.689 5.922 ( -12.775 -4.432 6.847) 15.156 9.965 ( 3.009 31.451 1.333) 31.623 11.111 ( 1.024 -3.344 2.194) 4.129 13.208 ( 9.999 22.910 1.791) 25.061 14.166 ( 22.914 4.074 4.799) 23.763 14.633 ( 4.384 7.702 0.746) 8.893 15.387 ( 19.649 -9.134 0.776) 21.682 43.853 ( -0.186 -12.358 -0.546) 12.371 43.892 ( 0.194 -12.281 0.103) 12.283 97.662 ( -0.156 1.664 0.137) 1.677 97.671 ( -0.256 1.348 -0.057) 1.373 99.947 ( -0.524 0.084 -0.131) 0.547 99.960 ( -0.409 -0.341 0.010) 0.533 ======================= Grid point 58 (34/315) ======================= q-point: ( 0.27 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -3.575 8.229 0.913) 9.018 1.460 ( 0.858 9.893 1.405) 10.029 1.745 ( -5.626 -5.008 -0.722) 7.566 1.984 ( -6.655 -7.331 4.577) 10.908 2.391 ( -0.461 4.993 -3.667) 6.212 2.404 ( -2.982 5.393 -2.357) 6.598 3.657 ( 6.272 -0.605 -1.961) 6.600 3.960 ( 8.608 -7.575 2.318) 11.698 4.970 ( -18.184 7.259 -6.358) 20.586 5.227 ( -12.462 -1.875 -13.827) 18.708 5.628 ( -9.274 -1.507 8.384) 12.592 5.821 ( -3.263 -5.299 1.689) 6.448 10.015 ( 1.863 31.820 1.158) 31.895 11.119 ( -0.713 -2.501 1.679) 3.096 13.474 ( 16.163 24.713 2.373) 29.625 14.501 ( 10.017 -7.856 4.825) 13.614 14.794 ( 11.881 26.154 1.182) 28.750 15.791 ( 22.203 -9.699 0.443) 24.233 43.849 ( -0.083 -11.735 -0.519) 11.747 43.895 ( 0.108 -12.090 0.025) 12.090 97.659 ( -0.167 1.602 0.092) 1.613 97.666 ( -0.267 1.344 -0.005) 1.370 99.936 ( -0.578 0.044 -0.155) 0.600 99.952 ( -0.422 -0.468 0.023) 0.630 ======================= Grid point 59 (35/315) ======================= q-point: ( 0.36 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 0.108 3.669 1.979) 4.170 1.521 ( 4.404 6.099 0.933) 7.581 1.629 ( -6.168 -5.719 -1.096) 8.482 1.877 ( -5.847 -4.914 2.990) 8.202 2.339 ( -2.526 5.144 -0.914) 5.803 2.365 ( -1.360 3.485 -4.142) 5.581 3.773 ( 6.841 -3.927 -1.410) 8.013 4.087 ( 3.263 -12.028 2.464) 12.704 4.645 ( -13.129 5.693 -4.776) 15.086 4.930 ( -13.634 -4.475 -7.276) 16.088 5.538 ( -3.215 1.498 3.881) 5.258 5.772 ( -2.300 -5.331 0.681) 5.846 10.044 ( 0.994 31.582 0.741) 31.607 11.102 ( -1.286 -1.868 0.977) 2.469 13.782 ( 14.540 24.453 1.740) 28.503 14.629 ( 3.703 -6.811 3.046) 8.330 15.004 ( 8.372 33.116 1.657) 34.198 16.183 ( 17.859 -10.502 0.181) 20.719 43.846 ( -0.008 -11.232 -0.372) 11.238 43.896 ( 0.037 -11.840 -0.012) 11.840 97.656 ( -0.127 1.536 0.006) 1.541 97.662 ( -0.197 1.348 0.060) 1.363 99.926 ( -0.445 0.004 -0.122) 0.461 99.945 ( -0.310 -0.593 0.021) 0.670 ======================= Grid point 60 (36/315) ======================= q-point: ( 0.45 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 4.452 -2.029 1.335) 5.072 1.491 ( -6.621 -5.093 0.196) 8.356 1.630 ( 4.899 3.237 -0.914) 5.943 1.782 ( -4.621 -1.850 1.271) 5.137 2.305 ( -0.821 4.731 -0.177) 4.805 2.330 ( -0.959 3.206 -1.889) 3.843 3.912 ( 7.983 -8.120 -0.614) 11.403 4.068 ( -5.655 -13.202 1.085) 14.403 4.487 ( -2.680 4.554 -1.444) 5.478 4.716 ( -6.288 -3.308 -2.405) 7.501 5.510 ( -0.798 1.953 1.027) 2.347 5.742 ( -0.890 -5.236 0.190) 5.315 10.058 ( 0.331 31.311 0.251) 31.314 11.085 ( -0.591 -1.497 0.318) 1.641 13.988 ( 5.946 23.109 0.570) 23.869 14.679 ( 1.033 -4.314 1.122) 4.575 15.108 ( 2.482 36.364 0.698) 36.456 16.423 ( 6.761 -10.940 0.046) 12.860 43.846 ( 0.007 -10.949 -0.136) 10.950 43.897 ( 0.006 -11.672 -0.009) 11.672 97.655 ( -0.048 1.488 -0.016) 1.488 97.659 ( -0.072 1.358 0.041) 1.360 99.919 ( -0.166 -0.019 -0.046) 0.174 99.941 ( -0.114 -0.671 0.008) 0.681 ======================= Grid point 66 (37/315) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 0.000 11.094 0.000) 11.094 1.869 ( 0.000 -5.445 0.000) 5.445 1.880 ( 0.000 8.299 0.000) 8.299 2.054 ( 0.000 -9.548 0.000) 9.548 2.536 ( 0.000 5.691 0.000) 5.691 2.585 ( 0.000 0.581 0.000) 0.581 3.453 ( 0.000 2.282 0.000) 2.282 3.482 ( 0.000 -0.757 0.000) 0.757 5.638 ( 0.000 6.177 0.000) 6.177 5.764 ( 0.000 -6.551 0.000) 6.551 6.040 ( 0.000 11.712 0.000) 11.712 6.216 ( 0.000 -6.460 0.000) 6.460 10.413 ( 0.000 25.439 0.000) 25.439 10.833 ( 0.000 -16.886 0.000) 16.886 13.492 ( 0.000 9.652 0.000) 9.652 13.557 ( 0.000 3.298 0.000) 3.298 14.626 ( 0.000 1.813 0.000) 1.813 14.721 ( 0.000 -7.990 0.000) 7.990 43.691 ( 0.000 -3.873 0.000) 3.873 43.708 ( 0.000 -5.381 0.000) 5.381 97.690 ( 0.000 0.784 0.000) 0.784 97.694 ( 0.000 0.333 0.000) 0.333 99.961 ( 0.000 0.157 0.000) 0.157 99.965 ( 0.000 -0.204 0.000) 0.204 ======================= Grid point 67 (38/315) ======================= q-point: ( 0.09 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -2.772 10.455 -1.283) 10.892 1.824 ( -4.371 2.510 -1.503) 5.260 1.843 ( -3.894 0.870 2.845) 4.900 2.014 ( -4.454 -9.524 3.338) 11.031 2.527 ( -0.612 5.238 -1.374) 5.450 2.573 ( -1.058 0.511 -1.894) 2.228 3.496 ( 4.527 3.086 -0.499) 5.501 3.549 ( 6.226 -2.142 -0.051) 6.585 5.613 ( -1.829 6.015 -6.810) 9.268 5.735 ( -2.333 -6.127 -10.387) 12.284 5.910 ( -13.145 10.672 6.949) 18.302 6.084 ( -13.583 -6.874 3.537) 15.629 10.453 ( 3.455 25.422 1.392) 25.693 10.868 ( 2.848 -16.391 1.673) 16.721 13.482 ( 3.136 16.443 1.348) 16.793 13.726 ( 12.648 -7.025 2.430) 14.671 14.683 ( 7.597 8.154 0.746) 11.169 14.871 ( 13.525 -10.094 0.849) 16.898 43.692 ( 0.135 -3.770 -0.266) 3.782 43.710 ( 0.206 -5.399 -0.111) 5.404 97.688 ( -0.125 0.764 0.057) 0.776 97.693 ( -0.152 0.348 0.006) 0.380 99.958 ( -0.319 0.159 -0.048) 0.359 99.962 ( -0.304 -0.221 -0.020) 0.376 ======================= Grid point 68 (39/315) ======================= q-point: ( 0.18 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -4.100 8.800 -1.924) 9.897 1.721 ( -5.635 6.876 1.026) 8.949 1.757 ( -5.762 -2.552 1.407) 6.457 1.922 ( -6.220 -9.430 4.548) 12.178 2.505 ( -1.148 3.782 -2.735) 4.806 2.533 ( -2.388 0.942 -2.524) 3.600 3.598 ( 5.773 3.921 -1.021) 7.053 3.684 ( 7.425 -4.651 0.056) 8.762 5.486 ( -13.277 3.300 -12.633) 18.621 5.501 ( -13.788 3.300 -17.475) 22.503 5.744 ( -7.677 0.267 11.125) 13.519 5.821 ( -12.027 -5.597 9.297) 16.199 10.524 ( 3.034 25.135 1.720) 25.376 10.926 ( 2.108 -15.402 2.074) 15.684 13.637 ( 12.005 20.565 2.896) 23.988 13.996 ( 14.195 -15.584 3.839) 21.427 14.921 ( 16.429 16.024 1.283) 22.986 15.190 ( 19.256 -11.494 1.161) 22.455 43.695 ( 0.264 -3.539 -0.424) 3.574 43.715 ( 0.325 -5.403 -0.213) 5.417 97.685 ( -0.209 0.713 0.088) 0.748 97.689 ( -0.250 0.383 0.019) 0.457 99.950 ( -0.541 0.170 -0.087) 0.573 99.954 ( -0.501 -0.275 -0.029) 0.573 ======================= Grid point 69 (40/315) ======================= q-point: ( 0.27 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -5.536 7.274 -0.448) 9.152 1.639 ( -5.605 -5.478 -1.459) 7.972 1.651 ( -3.120 8.942 3.266) 10.018 1.827 ( -4.743 -8.575 3.504) 10.407 2.465 ( -2.132 2.257 -3.177) 4.442 2.473 ( -2.924 1.557 -2.632) 4.231 3.691 ( 4.327 4.100 -1.247) 6.090 3.808 ( 5.248 -7.431 0.262) 9.101 5.089 ( -19.490 5.078 -8.314) 21.790 5.173 ( -17.498 -3.540 -10.738) 20.833 5.644 ( -4.922 2.815 6.563) 8.673 5.721 ( -3.678 -4.735 3.849) 7.125 10.569 ( 1.292 24.415 1.360) 24.487 10.953 ( 0.224 -14.377 1.618) 14.470 13.915 ( 15.225 20.220 3.308) 25.526 14.260 ( 11.987 -15.093 3.969) 19.678 15.262 ( 17.759 19.947 1.568) 26.753 15.577 ( 20.591 -12.867 1.016) 24.302 43.699 ( 0.325 -3.305 -0.441) 3.350 43.720 ( 0.334 -5.338 -0.256) 5.355 97.681 ( -0.226 0.656 0.075) 0.698 97.684 ( -0.262 0.417 0.043) 0.494 99.938 ( -0.593 0.196 -0.098) 0.632 99.944 ( -0.536 -0.363 -0.028) 0.648 ======================= Grid point 70 (41/315) ======================= q-point: ( 0.36 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -4.562 4.940 1.035) 6.803 1.512 ( -6.754 -5.413 0.572) 8.674 1.651 ( 1.599 6.289 0.218) 6.492 1.772 ( -2.105 -5.866 1.449) 6.399 2.409 ( -2.464 1.970 -1.830) 3.647 2.415 ( -2.233 1.309 -2.717) 3.753 3.755 ( 3.036 2.574 -0.943) 4.091 3.873 ( 1.348 -9.098 0.247) 9.200 4.751 ( -13.352 5.065 -4.521) 14.979 4.844 ( -13.652 -4.494 -5.089) 15.247 5.592 ( -2.412 3.661 2.642) 5.119 5.674 ( -2.295 -4.660 1.594) 5.434 10.587 ( 0.351 23.536 0.834) 23.553 10.952 ( -0.563 -13.431 0.977) 13.478 14.189 ( 11.889 17.155 2.430) 21.013 14.460 ( 7.746 -10.857 2.879) 13.644 15.560 ( 12.594 23.613 1.323) 26.795 15.936 ( 16.089 -15.352 0.677) 22.248 43.703 ( 0.270 -3.138 -0.328) 3.166 43.725 ( 0.246 -5.230 -0.207) 5.240 97.678 ( -0.175 0.619 0.031) 0.643 97.680 ( -0.191 0.433 0.059) 0.477 99.928 ( -0.454 0.229 -0.076) 0.514 99.935 ( -0.404 -0.455 -0.022) 0.609 ======================= Grid point 71 (42/315) ======================= q-point: ( 0.45 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -0.454 0.821 0.841) 1.260 1.405 ( -4.211 -3.411 0.111) 5.420 1.693 ( 2.219 2.927 -0.167) 3.677 1.743 ( -1.430 -2.237 0.305) 2.672 2.372 ( -0.939 1.908 -0.617) 2.214 2.377 ( -0.961 1.303 -1.064) 1.937 3.808 ( 2.881 -1.629 -0.372) 3.331 3.862 ( -2.134 -7.096 0.086) 7.411 4.576 ( -4.243 4.308 -1.340) 6.193 4.652 ( -5.120 -3.502 -1.517) 6.386 5.567 ( -0.767 3.619 0.713) 3.767 5.647 ( -0.834 -4.496 0.440) 4.594 10.592 ( 0.062 22.941 0.281) 22.943 10.944 ( -0.305 -12.817 0.327) 12.824 14.353 ( 4.425 14.357 0.858) 15.047 14.565 ( 2.628 -7.822 1.052) 8.319 15.727 ( 4.498 26.635 0.515) 27.017 16.153 ( 6.049 -17.292 0.240) 18.321 43.706 ( 0.105 -3.056 -0.121) 3.060 43.728 ( 0.090 -5.147 -0.079) 5.149 97.675 ( -0.066 0.607 0.005) 0.610 97.677 ( -0.069 0.432 0.028) 0.438 99.922 ( -0.170 0.251 -0.028) 0.304 99.929 ( -0.150 -0.513 -0.008) 0.535 ======================= Grid point 143 (43/315) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( 1.239 0.000 14.623) 14.675 0.341 ( 0.830 0.000 16.799) 16.819 0.624 ( -1.147 0.000 30.664) 30.686 1.543 ( 0.087 0.000 -3.157) 3.159 1.868 ( -1.524 0.000 -2.552) 2.973 2.748 ( -6.118 0.000 1.091) 6.214 3.044 ( -0.041 0.000 2.311) 2.311 3.161 ( -38.824 0.000 -0.164) 38.825 3.463 ( 4.792 0.000 1.592) 5.050 3.648 ( 0.041 0.000 -1.392) 1.393 6.274 ( -3.778 0.000 -4.359) 5.768 7.001 ( 1.116 0.000 1.835) 2.148 7.449 ( -5.568 0.000 3.861) 6.776 10.141 ( -0.710 0.000 -1.653) 1.799 11.793 ( -1.366 0.000 0.233) 1.386 11.874 ( 1.214 0.000 -0.201) 1.230 14.971 ( 14.612 0.000 -0.737) 14.631 15.551 ( -0.439 0.000 -1.788) 1.841 44.952 ( 0.554 0.000 0.536) 0.771 45.530 ( 2.563 0.000 -1.554) 2.997 97.528 ( -0.041 0.000 0.368) 0.370 97.557 ( -0.846 0.000 0.287) 0.894 99.927 ( -0.087 0.000 0.137) 0.162 99.979 ( -0.034 0.000 -0.124) 0.129 ======================= Grid point 144 (44/315) ======================= q-point: ( 0.09 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 8.144 0.000 16.029) 17.979 0.547 ( 16.280 0.000 8.708) 18.463 0.921 ( 19.747 0.000 19.280) 27.598 1.542 ( 0.885 0.000 -3.295) 3.411 1.926 ( 6.810 0.000 -2.307) 7.190 2.668 ( -0.617 0.000 -4.875) 4.914 3.095 ( 4.533 0.000 2.484) 5.169 3.672 ( 2.961 0.000 -1.529) 3.332 3.744 ( 28.477 0.000 -0.245) 28.478 3.853 ( 46.046 0.000 -32.719) 56.487 6.207 ( -1.891 0.000 -6.547) 6.815 7.021 ( 0.183 0.000 2.677) 2.683 7.194 ( -15.381 0.000 16.618) 22.643 10.116 ( -1.213 0.000 -2.194) 2.507 11.739 ( -4.293 0.000 -1.170) 4.449 11.878 ( -0.692 0.000 1.074) 1.278 15.389 ( 1.029 0.000 -10.308) 10.359 15.817 ( 33.790 0.000 -20.272) 39.405 44.963 ( 0.309 0.000 0.960) 1.009 45.485 ( -4.707 0.000 -0.179) 4.711 97.525 ( -0.860 0.000 0.880) 1.231 97.528 ( -0.752 0.000 0.952) 1.213 99.927 ( 0.021 0.000 0.091) 0.093 99.978 ( 0.029 0.000 -0.138) 0.141 ======================= Grid point 145 (45/315) ======================= q-point: ( 0.18 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 11.179 0.000 11.023) 15.700 0.874 ( 15.221 0.000 4.630) 15.910 1.372 ( 22.002 0.000 8.273) 23.505 1.552 ( 1.015 0.000 -2.776) 2.956 2.073 ( 8.133 0.000 0.278) 8.138 2.626 ( -2.257 0.000 -2.888) 3.665 3.223 ( 7.933 0.000 2.412) 8.291 3.747 ( 5.465 0.000 -1.575) 5.687 4.285 ( 28.701 0.000 8.206) 29.852 4.422 ( 26.347 0.000 -30.581) 40.365 6.143 ( -2.964 0.000 -7.307) 7.885 7.013 ( -10.006 0.000 14.445) 17.572 7.025 ( -0.687 0.000 2.897) 2.978 10.085 ( -1.256 0.000 -2.263) 2.588 11.624 ( -7.130 0.000 -1.935) 7.388 11.861 ( -1.505 0.000 1.756) 2.312 15.283 ( -6.890 0.000 -4.092) 8.013 16.280 ( 22.268 0.000 -16.655) 27.807 44.971 ( 0.236 0.000 1.138) 1.162 45.385 ( -5.617 0.000 -0.534) 5.642 97.513 ( -0.548 0.000 1.125) 1.251 97.526 ( -0.093 0.000 0.261) 0.277 99.928 ( 0.109 0.000 0.058) 0.123 99.979 ( 0.087 0.000 -0.096) 0.129 ======================= Grid point 146 (46/315) ======================= q-point: ( 0.27 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 13.551 0.000 4.732) 14.354 1.135 ( 11.283 0.000 1.911) 11.444 1.559 ( 0.409 0.000 -1.639) 1.689 1.774 ( 18.586 0.000 1.970) 18.690 2.180 ( 1.513 0.000 0.128) 1.518 2.593 ( -0.414 0.000 3.354) 3.380 3.395 ( 8.981 0.000 2.125) 9.229 3.859 ( 6.557 0.000 -1.480) 6.722 4.704 ( 17.015 0.000 -21.237) 27.212 4.885 ( 27.289 0.000 9.657) 28.947 6.045 ( -4.705 0.000 -8.138) 9.400 6.882 ( -8.537 0.000 11.731) 14.509 7.015 ( -1.228 0.000 2.345) 2.647 10.057 ( -0.902 0.000 -1.892) 2.096 11.472 ( -7.969 0.000 -1.886) 8.189 11.835 ( -1.864 0.000 1.787) 2.582 15.141 ( -6.682 0.000 -1.923) 6.953 16.594 ( 16.031 0.000 -11.036) 19.462 44.980 ( 0.306 0.000 0.981) 1.028 45.274 ( -5.672 0.000 -1.178) 5.793 97.509 ( -0.183 0.000 0.863) 0.882 97.524 ( -0.128 0.000 0.243) 0.274 99.931 ( 0.153 0.000 0.043) 0.159 99.981 ( 0.118 0.000 -0.007) 0.119 ======================= Grid point 147 (47/315) ======================= q-point: ( 0.36 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 15.135 0.000 0.171) 15.135 1.311 ( 7.202 0.000 -0.195) 7.205 1.555 ( -0.493 0.000 -0.182) 0.526 2.077 ( 11.950 0.000 -0.150) 11.951 2.114 ( -6.182 0.000 -2.268) 6.585 2.626 ( 0.476 0.000 8.904) 8.917 3.556 ( 6.985 0.000 1.748) 7.200 3.972 ( 5.446 0.000 -1.165) 5.569 4.909 ( 11.388 0.000 -16.914) 20.390 5.389 ( 21.299 0.000 13.296) 25.109 5.927 ( -3.934 0.000 -11.092) 11.769 6.758 ( -8.505 0.000 11.318) 14.158 6.994 ( -1.519 0.000 1.003) 1.820 10.041 ( -0.302 0.000 -1.278) 1.313 11.331 ( -5.956 0.000 -1.225) 6.080 11.805 ( -1.768 0.000 1.491) 2.313 15.031 ( -4.303 0.000 -0.670) 4.354 16.816 ( 10.503 0.000 -8.094) 13.260 44.988 ( 0.288 0.000 0.326) 0.435 45.173 ( -4.372 0.000 -1.291) 4.558 97.511 ( 0.047 0.000 0.690) 0.691 97.522 ( -0.224 0.000 0.320) 0.390 99.934 ( 0.145 0.000 0.053) 0.155 99.983 ( 0.106 0.000 0.100) 0.146 ======================= Grid point 148 (48/315) ======================= q-point: ( 0.45 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 4.204 0.000 -1.409) 4.434 1.535 ( -1.963 0.000 0.868) 2.146 1.552 ( 15.432 0.000 -1.923) 15.552 1.919 ( -11.662 0.000 -0.855) 11.694 2.269 ( 7.097 0.000 -2.085) 7.396 2.621 ( -4.643 0.000 9.590) 10.655 3.652 ( 2.360 0.000 1.409) 2.748 4.045 ( 2.434 0.000 -0.675) 2.526 5.019 ( 5.063 0.000 -14.862) 15.701 5.671 ( -0.720 0.000 15.024) 15.041 5.931 ( 13.229 0.000 -12.624) 18.286 6.635 ( -8.404 0.000 12.749) 15.270 6.964 ( -1.708 0.000 -0.759) 1.869 10.039 ( 0.466 0.000 -0.628) 0.782 11.255 ( -1.515 0.000 -0.247) 1.535 11.780 ( -1.188 0.000 1.063) 1.594 14.978 ( -1.186 0.000 0.098) 1.190 16.934 ( 4.429 0.000 -6.924) 8.219 44.986 ( -0.623 0.000 -1.058) 1.228 45.115 ( -1.078 0.000 -0.544) 1.207 97.515 ( 0.168 0.000 0.602) 0.625 97.518 ( -0.292 0.000 0.405) 0.499 99.936 ( 0.091 0.000 0.088) 0.127 99.985 ( 0.052 0.000 0.187) 0.194 ======================= Grid point 149 (49/315) ======================= q-point: (-0.45 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -2.874 0.000 -0.799) 2.983 1.506 ( 0.785 0.000 0.266) 0.829 1.633 ( -13.601 0.000 0.958) 13.634 1.872 ( 14.175 0.000 -3.106) 14.512 2.329 ( -0.288 0.000 -3.119) 3.132 2.507 ( -10.059 0.000 9.243) 13.661 3.647 ( -3.342 0.000 1.155) 3.536 4.053 ( -1.470 0.000 -0.309) 1.502 4.984 ( -4.275 0.000 -15.156) 15.747 5.609 ( -5.742 0.000 5.825) 8.179 6.202 ( 14.405 0.000 -2.154) 14.565 6.530 ( -7.054 0.000 14.188) 15.845 6.928 ( -1.378 0.000 -2.138) 2.544 10.054 ( 1.253 0.000 -0.047) 1.254 11.276 ( 3.599 0.000 0.565) 3.643 11.768 ( -0.337 0.000 0.619) 0.705 14.987 ( 1.933 0.000 0.420) 1.978 16.940 ( -1.411 0.000 -6.772) 6.917 44.960 ( -1.271 0.000 -1.930) 2.311 45.130 ( 2.395 0.000 -0.110) 2.398 97.512 ( -0.425 0.000 0.463) 0.629 97.522 ( 0.310 0.000 0.588) 0.665 99.938 ( 0.002 0.000 0.138) 0.138 99.986 ( -0.022 0.000 0.225) 0.226 ======================= Grid point 150 (50/315) ======================= q-point: (-0.36 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -9.131 0.000 0.194) 9.133 1.335 ( -17.351 0.000 1.728) 17.437 1.542 ( 2.124 0.000 -0.717) 2.242 2.113 ( 2.269 0.000 1.841) 2.922 2.205 ( -4.342 0.000 -1.951) 4.760 2.373 ( -5.203 0.000 3.129) 6.072 3.541 ( -7.926 0.000 1.038) 7.993 3.990 ( -4.929 0.000 -0.327) 4.939 4.750 ( -15.399 0.000 -15.053) 21.534 5.523 ( -4.987 0.000 3.493) 6.089 6.432 ( 10.275 0.000 0.887) 10.314 6.463 ( -4.679 0.000 13.592) 14.375 6.905 ( -0.184 0.000 -2.492) 2.498 10.084 ( 1.692 0.000 0.359) 1.730 11.385 ( 7.348 0.000 0.879) 7.401 11.771 ( 0.439 0.000 0.242) 0.501 15.051 ( 4.632 0.000 0.045) 4.632 16.844 ( -6.181 0.000 -7.331) 9.590 44.935 ( -0.659 0.000 -1.816) 1.932 45.193 ( 4.202 0.000 -0.397) 4.220 97.505 ( -0.412 0.000 0.469) 0.624 97.530 ( 0.296 0.000 0.661) 0.724 99.937 ( -0.099 0.000 0.187) 0.212 99.986 ( -0.086 0.000 0.202) 0.220 ======================= Grid point 151 (51/315) ======================= q-point: (-0.27 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -18.255 0.000 3.137) 18.522 1.106 ( -13.664 0.000 0.689) 13.681 1.570 ( 0.989 0.000 -1.100) 1.479 1.789 ( -24.226 0.000 6.001) 24.958 2.245 ( -5.961 0.000 3.770) 7.053 2.423 ( 11.712 0.000 -4.939) 12.711 3.373 ( -9.701 0.000 1.141) 9.768 3.878 ( -6.386 0.000 -0.614) 6.415 4.328 ( -23.703 0.000 -13.640) 27.347 5.433 ( -5.241 0.000 -1.999) 5.610 6.432 ( -2.930 0.000 11.175) 11.552 6.607 ( 7.704 0.000 4.940) 9.152 6.908 ( 1.185 0.000 -1.878) 2.221 10.117 ( 1.569 0.000 0.399) 1.619 11.542 ( 8.568 0.000 0.814) 8.607 11.784 ( 0.895 0.000 -0.044) 0.896 15.155 ( 6.490 0.000 -1.528) 6.667 16.665 ( -10.097 0.000 -9.509) 13.870 44.925 ( 0.090 0.000 -1.319) 1.322 45.278 ( 4.738 0.000 -0.718) 4.792 97.500 ( -0.226 0.000 0.523) 0.570 97.537 ( 0.150 0.000 0.770) 0.784 99.935 ( -0.181 0.000 0.216) 0.282 99.984 ( -0.120 0.000 0.130) 0.176 ======================= Grid point 152 (52/315) ======================= q-point: (-0.18 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -16.917 0.000 6.355) 18.071 0.813 ( -17.653 0.000 2.150) 17.784 1.310 ( -28.406 0.000 9.821) 30.056 1.572 ( -0.200 0.000 -1.745) 1.756 2.118 ( -7.984 0.000 1.763) 8.176 2.612 ( 8.768 0.000 -2.325) 9.071 3.202 ( -8.308 0.000 1.484) 8.440 3.761 ( -5.379 0.000 -0.929) 5.459 3.824 ( -23.517 0.000 -11.324) 26.101 5.277 ( -10.036 0.000 -16.633) 19.426 6.412 ( -2.496 0.000 6.721) 7.169 6.786 ( 9.437 0.000 14.462) 17.269 6.934 ( 1.882 0.000 -0.727) 2.017 10.142 ( 0.968 0.000 -0.036) 0.969 11.697 ( 7.077 0.000 0.871) 7.131 11.802 ( 1.091 0.000 -0.455) 1.182 15.275 ( 6.805 0.000 -5.064) 8.483 16.387 ( -16.159 0.000 -16.650) 23.202 44.928 ( 0.576 0.000 -0.668) 0.882 45.361 ( 4.183 0.000 -0.561) 4.221 97.502 ( 0.211 0.000 0.772) 0.800 97.540 ( -0.045 0.000 0.927) 0.928 99.932 ( -0.212 0.000 0.215) 0.301 99.982 ( -0.118 0.000 0.032) 0.122 ======================= Grid point 153 (53/315) ======================= q-point: (-0.09 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( -12.559 0.000 12.366) 17.625 0.476 ( -18.317 0.000 6.511) 19.439 0.827 ( -25.258 0.000 19.053) 31.639 1.557 ( -0.527 0.000 -2.529) 2.583 1.968 ( -7.474 0.000 -0.167) 7.476 2.725 ( 3.341 0.000 0.423) 3.368 3.083 ( -4.680 0.000 1.935) 5.065 3.457 ( -10.066 0.000 -7.455) 12.526 3.679 ( -2.876 0.000 -1.188) 3.112 4.762 ( -44.947 0.000 -47.476) 65.378 6.364 ( -4.037 0.000 0.046) 4.037 6.970 ( 1.777 0.000 0.606) 1.877 7.123 ( 21.202 0.000 22.865) 31.182 10.151 ( 0.111 0.000 -0.824) 0.831 11.792 ( 1.679 0.000 1.713) 2.399 11.832 ( 2.937 0.000 -1.532) 3.312 15.330 ( -2.412 0.000 -16.270) 16.448 15.863 ( -33.204 0.000 -23.743) 40.820 44.940 ( 0.677 0.000 -0.037) 0.678 45.437 ( 4.314 0.000 1.060) 4.443 97.516 ( 1.034 0.000 0.976) 1.422 97.544 ( 0.234 0.000 1.343) 1.363 99.929 ( -0.176 0.000 0.184) 0.255 99.980 ( -0.087 0.000 -0.062) 0.106 ======================= Grid point 154 (54/315) ======================= q-point: ( 0.00 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( -3.930 12.657 12.164) 17.989 0.557 ( 2.177 15.979 11.250) 19.663 0.774 ( 0.724 17.236 20.809) 27.030 1.641 ( 0.564 9.189 -3.038) 9.695 1.879 ( -0.134 1.553 -2.754) 3.165 2.640 ( 1.355 -3.135 -4.772) 5.869 3.128 ( -2.478 1.369 1.436) 3.174 3.456 ( 3.714 -0.199 1.027) 3.859 3.820 ( -1.240 19.048 -3.671) 19.438 4.199 ( -16.135 51.750 -40.019) 67.379 6.264 ( -3.052 -0.804 -3.804) 4.943 6.570 ( -0.915 -19.271 23.158) 30.141 7.891 ( -0.732 22.225 -11.302) 24.945 10.244 ( 0.220 9.956 -0.818) 9.992 11.921 ( -3.284 8.987 -3.034) 10.038 12.012 ( 2.521 13.233 -2.882) 13.776 14.939 ( 8.064 -2.867 -0.404) 8.568 15.523 ( -0.288 -2.880 -1.785) 3.400 44.890 ( 0.543 -6.277 0.375) 6.312 45.376 ( 1.282 -13.416 0.759) 13.499 97.534 ( 0.088 0.364 0.741) 0.830 97.544 ( -0.630 0.263 1.279) 1.450 99.939 ( -0.060 0.680 -0.464) 0.825 99.979 ( -0.057 0.017 -0.087) 0.106 ======================= Grid point 155 (55/315) ======================= q-point: ( 0.09 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 4.482 8.215 11.513) 14.837 0.664 ( 7.447 6.355 15.956) 18.720 1.088 ( 18.862 15.132 11.942) 26.969 1.646 ( 0.642 9.285 -3.188) 9.838 1.931 ( 5.674 0.524 -2.253) 6.127 2.639 ( -0.427 -2.341 -4.973) 5.513 3.194 ( 6.825 4.824 0.623) 8.381 3.642 ( 11.025 -0.850 1.852) 11.212 3.910 ( 15.752 15.933 -3.099) 22.618 4.227 ( 19.592 29.053 -32.550) 47.827 6.203 ( -2.197 -0.299 -6.123) 6.512 6.610 ( -1.477 -18.513 17.263) 25.356 7.695 ( -11.896 27.200 -0.173) 29.688 10.235 ( -0.871 11.374 -1.508) 11.506 11.822 ( -5.315 7.924 -1.959) 9.741 12.027 ( 0.431 14.543 0.309) 14.553 15.275 ( 6.761 -10.622 -7.833) 14.829 15.704 ( 25.846 -8.027 -9.436) 28.662 44.900 ( 0.277 -6.377 0.774) 6.430 45.354 ( -3.202 -12.493 0.083) 12.897 97.529 ( -0.753 0.544 1.277) 1.579 97.537 ( -0.238 0.976 0.457) 1.104 99.934 ( -0.226 0.560 -0.144) 0.621 99.978 ( -0.001 -0.009 -0.101) 0.102 ======================= Grid point 156 (56/315) ======================= q-point: ( 0.18 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 10.845 0.437 9.173) 14.211 0.907 ( 12.883 2.678 9.326) 16.128 1.470 ( 17.747 8.901 4.622) 20.385 1.649 ( 1.026 9.055 -2.376) 9.418 2.053 ( 6.864 -1.898 0.115) 7.122 2.599 ( -2.329 -2.536 -2.378) 4.184 3.334 ( 7.637 8.874 1.293) 11.779 3.798 ( 6.784 4.275 -1.106) 8.094 4.340 ( 25.650 4.719 7.701) 27.194 4.506 ( 18.492 9.250 -28.882) 35.521 6.127 ( -3.926 -1.610 -7.000) 8.186 6.630 ( -1.406 -16.139 13.218) 20.909 7.510 ( -8.550 26.598 3.315) 28.134 10.207 ( -1.430 11.835 -1.590) 12.027 11.714 ( -5.580 8.983 -1.638) 10.701 12.034 ( 0.013 17.270 1.152) 17.308 15.228 ( -5.361 -5.425 -3.264) 8.296 16.168 ( 23.796 -10.114 -12.759) 28.833 44.907 ( 0.185 -6.514 0.947) 6.585 45.274 ( -4.882 -11.009 -0.657) 12.061 97.522 ( -0.438 0.911 1.059) 1.464 97.535 ( -0.112 0.948 0.256) 0.988 99.931 ( -0.041 0.291 -0.011) 0.294 99.978 ( 0.058 -0.049 -0.066) 0.101 ======================= Grid point 157 (57/315) ======================= q-point: ( 0.27 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 12.710 -1.795 4.286) 13.533 1.169 ( 11.894 2.298 4.311) 12.858 1.628 ( 0.539 6.560 -1.944) 6.863 1.815 ( 14.810 4.152 0.721) 15.398 2.146 ( 1.522 -3.352 0.103) 3.682 2.558 ( -1.381 -3.355 3.227) 4.856 3.488 ( 7.965 8.499 1.676) 11.768 3.917 ( 6.342 5.207 -1.566) 8.354 4.730 ( 13.952 2.655 -21.170) 25.492 4.851 ( 24.269 -3.146 9.738) 26.338 6.011 ( -5.637 -3.316 -8.037) 10.362 6.637 ( -2.250 -13.400 11.718) 17.942 7.380 ( -6.380 25.440 2.759) 26.372 10.176 ( -1.245 11.595 -1.352) 11.740 11.606 ( -5.175 13.168 -1.601) 14.239 12.033 ( -0.590 19.946 1.326) 19.999 15.109 ( -5.895 -3.183 -1.449) 6.854 16.520 ( 17.524 -7.175 -9.866) 21.352 44.913 ( 0.251 -6.674 0.808) 6.727 45.175 ( -5.151 -9.958 -1.255) 11.282 97.519 ( -0.175 0.971 0.840) 1.296 97.534 ( -0.136 0.921 0.241) 0.962 99.932 ( 0.058 0.082 0.013) 0.102 99.980 ( 0.089 -0.096 0.015) 0.132 ======================= Grid point 158 (58/315) ======================= q-point: ( 0.36 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 12.526 -3.180 0.422) 12.930 1.374 ( 9.195 3.563 0.631) 9.882 1.624 ( -0.180 6.345 -0.368) 6.358 2.064 ( 11.156 -1.141 -1.053) 11.264 2.088 ( -6.829 -2.523 -1.778) 7.494 2.568 ( -0.475 -5.524 8.575) 10.211 3.631 ( 6.188 7.121 1.578) 9.565 4.023 ( 5.112 4.718 -1.334) 7.083 4.894 ( 9.529 -1.450 -16.802) 19.370 5.296 ( 18.808 -8.830 12.494) 24.245 5.879 ( -4.603 -4.467 -10.593) 12.384 6.609 ( -4.832 -11.089 12.026) 17.057 7.288 ( -4.013 25.115 1.311) 25.468 10.155 ( -0.601 11.166 -0.882) 11.217 11.518 ( -3.374 18.328 -1.223) 18.676 12.021 ( -1.021 21.664 1.117) 21.717 15.010 ( -4.039 -2.130 -0.413) 4.585 16.767 ( 11.529 -4.776 -7.817) 14.725 44.921 ( 0.278 -6.789 0.214) 6.798 45.081 ( -4.026 -9.162 -1.355) 10.099 97.520 ( 0.028 0.947 0.679) 1.166 97.531 ( -0.220 0.917 0.318) 0.995 99.933 ( 0.092 -0.055 0.041) 0.114 99.982 ( 0.080 -0.146 0.107) 0.198 ======================= Grid point 159 (59/315) ======================= q-point: ( 0.45 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 6.687 -2.193 -0.717) 7.074 1.520 ( 4.566 2.265 -1.145) 5.224 1.648 ( 5.069 5.325 -0.627) 7.379 1.909 ( -10.508 -0.793 -0.970) 10.582 2.224 ( 6.112 -4.189 -1.802) 7.626 2.556 ( -4.402 -6.213 9.496) 12.172 3.716 ( 2.097 6.219 1.303) 6.691 4.093 ( 2.425 4.489 -0.720) 5.153 4.970 ( 3.411 -4.849 -15.034) 16.161 5.586 ( 3.325 -8.323 17.158) 19.358 5.837 ( 8.267 -8.543 -14.376) 18.655 6.536 ( -6.648 -8.955 13.219) 17.296 7.231 ( -2.345 25.126 -0.430) 25.239 10.150 ( 0.276 10.829 -0.313) 10.837 11.478 ( -0.447 21.827 -0.483) 21.836 12.003 ( -1.094 22.173 0.609) 22.209 14.959 ( -1.272 -1.943 0.184) 2.329 16.899 ( 4.800 -3.440 -6.956) 9.125 44.919 ( -0.570 -6.750 -1.098) 6.863 45.028 ( -0.961 -8.765 -0.618) 8.839 97.524 ( 0.117 0.886 0.583) 1.067 97.527 ( -0.251 0.949 0.413) 1.065 99.935 ( 0.079 -0.117 0.090) 0.167 99.983 ( 0.035 -0.189 0.177) 0.261 ======================= Grid point 160 (60/315) ======================= q-point: (-0.45 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -3.208 -1.116 -0.147) 3.400 1.530 ( -1.900 1.496 -0.481) 2.466 1.639 ( -9.376 1.415 -0.410) 9.491 1.893 ( 12.225 1.728 -2.189) 12.539 2.277 ( -0.176 -4.987 -2.308) 5.498 2.457 ( -8.722 -4.527 8.904) 13.261 3.712 ( -2.917 6.293 1.110) 7.025 4.104 ( -1.170 4.880 -0.200) 5.022 4.913 ( -4.787 -6.912 -14.878) 17.089 5.574 ( -4.435 -2.956 7.121) 8.895 6.057 ( 13.405 -14.014 -2.705) 19.581 6.459 ( -5.712 -6.708 14.006) 16.547 7.193 ( -1.168 25.220 -1.904) 25.319 10.163 ( 1.091 10.594 0.203) 10.651 11.499 ( 2.593 21.760 0.308) 21.916 11.986 ( -0.782 21.697 -0.054) 21.711 14.963 ( 1.637 -2.308 0.361) 2.853 16.904 ( -1.903 -3.537 -6.828) 7.922 44.894 ( -1.179 -6.628 -1.912) 6.999 45.042 ( 2.285 -8.773 -0.198) 9.068 97.521 ( -0.395 0.945 0.470) 1.127 97.531 ( 0.284 0.879 0.566) 1.084 99.937 ( 0.028 -0.103 0.146) 0.180 99.984 ( -0.022 -0.211 0.206) 0.296 ======================= Grid point 161 (61/315) ======================= q-point: (-0.36 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -12.266 -3.191 -2.426) 12.905 1.333 ( -14.062 -0.286 4.148) 14.664 1.608 ( 2.055 6.061 -0.930) 6.467 2.126 ( 6.664 0.435 0.891) 6.738 2.170 ( -7.055 -2.998 -0.895) 7.717 2.336 ( -4.700 -3.215 3.137) 6.501 3.622 ( -6.652 7.638 1.161) 10.195 4.047 ( -4.695 5.453 -0.204) 7.199 4.693 ( -13.484 -5.355 -14.323) 20.387 5.508 ( -4.245 -1.242 3.302) 5.519 6.264 ( 8.355 -14.543 1.511) 16.840 6.414 ( -3.632 -4.625 13.543) 14.764 7.188 ( 1.709 25.526 -2.553) 25.710 10.189 ( 1.551 10.386 0.491) 10.513 11.572 ( 4.743 18.063 0.849) 18.695 11.975 ( -0.255 20.637 -0.675) 20.650 15.019 ( 4.112 -3.086 -0.074) 5.142 16.790 ( -7.655 -5.277 -7.189) 11.753 44.871 ( -0.565 -6.435 -1.795) 6.704 45.102 ( 3.927 -9.182 -0.469) 9.997 97.515 ( -0.386 1.001 0.475) 1.173 97.539 ( 0.284 0.837 0.631) 1.086 99.937 ( -0.040 -0.023 0.188) 0.193 99.984 ( -0.065 -0.197 0.189) 0.281 ======================= Grid point 162 (62/315) ======================= q-point: (-0.27 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -16.868 -2.268 -1.214) 17.063 1.085 ( -15.074 -0.833 6.091) 16.279 1.638 ( 1.075 6.565 -1.274) 6.773 1.855 ( -19.587 5.878 4.423) 20.923 2.205 ( -5.184 -3.882 3.606) 7.413 2.394 ( 10.232 -2.636 -4.833) 11.619 3.486 ( -7.660 10.143 1.530) 12.802 3.928 ( -7.777 4.257 -1.230) 8.951 4.335 ( -18.823 1.365 -12.373) 22.567 5.428 ( -4.775 -0.404 -2.443) 5.378 6.378 ( 2.652 -12.702 3.337) 13.399 6.404 ( -1.709 -5.182 13.778) 14.819 7.250 ( 5.776 26.492 -2.098) 27.195 10.220 ( 1.460 10.188 0.396) 10.299 11.675 ( 5.653 12.713 1.125) 13.959 11.972 ( 0.198 19.137 -1.111) 19.170 15.111 ( 5.601 -4.366 -1.502) 7.258 16.574 ( -12.771 -8.636 -8.626) 17.666 44.862 ( 0.144 -6.293 -1.341) 6.436 45.180 ( 4.416 -9.778 -0.757) 10.756 97.511 ( -0.216 1.040 0.517) 1.181 97.545 ( 0.148 0.817 0.727) 1.104 99.936 ( -0.081 0.113 0.198) 0.242 99.983 ( -0.084 -0.144 0.133) 0.213 ======================= Grid point 163 (63/315) ======================= q-point: (-0.18 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -15.825 -0.165 2.190) 15.977 0.810 ( -15.850 1.379 9.591) 18.577 1.442 ( -23.065 11.465 5.944) 26.434 1.663 ( -0.136 8.473 -1.715) 8.646 2.091 ( -7.190 -2.327 1.598) 7.724 2.550 ( 7.008 -4.796 -3.481) 9.177 3.355 ( -6.808 11.717 1.954) 13.692 3.719 ( -13.671 -1.157 -5.793) 14.893 3.995 ( -11.367 13.923 -5.728) 18.864 5.286 ( -8.736 0.931 -15.366) 17.700 6.384 ( -1.619 -3.762 3.387) 5.315 6.446 ( -0.248 -14.718 17.286) 22.705 7.399 ( 10.897 28.437 -0.620) 30.460 10.243 ( 0.785 9.903 -0.111) 9.935 11.787 ( 5.725 8.837 1.231) 10.601 11.973 ( 0.300 16.956 -1.438) 17.020 15.207 ( 5.033 -6.512 -4.554) 9.406 16.238 ( -20.256 -12.996 -12.294) 27.025 44.867 ( 0.595 -6.241 -0.744) 6.313 45.257 ( 3.883 -10.379 -0.656) 11.101 97.511 ( 0.142 1.003 0.713) 1.239 97.548 ( -0.070 0.802 0.844) 1.166 99.936 ( -0.026 0.316 0.153) 0.352 99.981 ( -0.078 -0.069 0.054) 0.117 ======================= Grid point 164 (64/315) ======================= q-point: (-0.09 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -4.495 9.971 9.859) 14.726 0.586 ( -10.859 6.658 13.897) 18.851 1.021 ( -22.908 16.999 10.433) 30.374 1.653 ( -0.377 8.803 -2.762) 9.233 1.957 ( -6.559 -0.312 -0.544) 6.589 2.627 ( 2.260 -5.561 -2.744) 6.600 3.228 ( -7.214 6.705 0.997) 9.899 3.485 ( -6.286 2.971 -4.271) 8.159 3.860 ( -3.315 17.114 -1.604) 17.505 4.904 ( -26.301 11.529 -38.273) 47.848 6.340 ( -3.530 -2.864 -1.023) 4.660 6.504 ( -0.534 -17.375 24.823) 30.304 7.679 ( 18.690 27.535 -2.494) 33.372 10.247 ( -0.169 9.484 -0.647) 9.507 11.900 ( 5.825 8.409 0.513) 10.242 11.972 ( 0.317 14.616 -2.332) 14.804 15.201 ( -8.573 -11.168 -11.854) 18.405 15.728 ( -25.076 -9.112 -9.279) 28.247 44.878 ( 0.697 -6.239 -0.148) 6.280 45.323 ( 3.215 -11.231 0.433) 11.691 97.522 ( 0.648 0.658 1.042) 1.393 97.548 ( -0.259 0.675 1.029) 1.257 99.937 ( 0.190 0.581 -0.079) 0.616 99.980 ( -0.056 -0.001 -0.025) 0.062 ======================= Grid point 165 (65/315) ======================= q-point: ( 0.00 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -0.695 10.408 12.945) 16.625 0.899 ( -1.297 17.866 5.519) 18.744 1.210 ( 0.947 24.107 9.987) 26.112 1.860 ( 1.291 11.911 -3.259) 12.416 1.923 ( -0.776 3.175 -2.244) 3.965 2.578 ( 2.803 -3.570 -5.903) 7.447 3.167 ( -2.845 2.745 1.084) 4.099 3.458 ( 2.356 0.391 1.097) 2.628 4.275 ( 0.630 26.378 -2.088) 26.468 4.860 ( -6.995 20.615 -27.668) 35.206 6.263 ( -1.179 1.258 -1.204) 2.103 6.335 ( -2.430 -7.093 18.966) 20.394 8.287 ( 0.795 20.429 -6.159) 21.352 10.505 ( 0.855 15.978 1.174) 16.044 12.150 ( -4.375 14.445 -2.045) 15.231 12.311 ( 4.383 17.014 -2.370) 17.728 14.866 ( 3.181 -4.483 -0.538) 5.523 15.439 ( 0.135 -5.691 -1.763) 5.959 44.713 ( 0.493 -11.627 -0.073) 11.638 45.044 ( 0.469 -20.070 -0.153) 20.076 97.550 ( 0.010 1.438 0.959) 1.728 97.568 ( -0.313 1.753 0.603) 1.880 99.948 ( -0.042 0.296 -0.295) 0.420 99.979 ( -0.064 -0.038 0.004) 0.075 ======================= Grid point 166 (66/315) ======================= q-point: ( 0.09 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 0.516 13.472 7.531) 15.443 0.815 ( -1.173 11.942 13.966) 18.413 1.429 ( 13.579 18.443 6.440) 23.791 1.864 ( 0.301 12.154 -2.831) 12.483 1.945 ( 3.077 0.931 -2.268) 3.934 2.581 ( -0.822 -3.648 -4.297) 5.696 3.251 ( 10.601 1.929 -1.078) 10.829 3.635 ( 13.425 -0.114 2.847) 13.724 4.310 ( 4.733 23.244 -2.923) 23.900 4.731 ( 1.813 20.550 -23.841) 31.527 6.201 ( -4.134 -0.117 -4.621) 6.202 6.361 ( -1.148 -7.543 17.031) 18.662 8.193 ( -7.100 24.937 -2.518) 26.050 10.522 ( 0.056 16.920 0.735) 16.936 12.035 ( -5.268 13.603 -1.743) 14.691 12.405 ( 5.417 23.128 -0.514) 23.760 15.048 ( 8.773 -11.255 -2.499) 14.487 15.559 ( 15.491 -7.163 -3.678) 17.459 44.720 ( 0.198 -11.801 0.253) 11.806 45.030 ( -1.835 -19.931 -0.478) 20.021 97.550 ( -0.260 1.586 0.994) 1.889 97.564 ( -0.248 1.766 0.391) 1.826 99.943 ( -0.315 0.351 -0.211) 0.517 99.978 ( -0.056 -0.049 -0.017) 0.076 ======================= Grid point 167 (67/315) ======================= q-point: ( 0.18 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 3.994 9.644 8.537) 13.484 0.975 ( 9.687 4.439 10.490) 14.953 1.681 ( 10.958 12.038 0.679) 16.292 1.863 ( 0.677 11.876 -1.928) 12.050 2.006 ( 3.682 -2.713 -0.350) 4.587 2.533 ( -2.981 -4.095 -1.303) 5.230 3.471 ( 11.443 3.896 -0.690) 12.107 3.883 ( 10.507 3.762 1.087) 11.213 4.470 ( 12.924 9.182 -0.399) 15.859 4.749 ( 6.262 13.514 -18.648) 23.866 6.083 ( -6.534 -2.740 -5.602) 9.033 6.390 ( -1.197 -8.757 14.195) 16.721 8.057 ( -6.519 29.515 0.616) 30.232 10.508 ( -1.477 17.791 0.166) 17.853 11.964 ( -1.783 16.222 -0.760) 16.337 12.505 ( 4.944 29.710 0.045) 30.119 15.087 ( -1.807 -8.428 -1.428) 8.737 15.944 ( 23.590 -11.762 -7.265) 27.343 44.723 ( 0.064 -12.017 0.406) 12.024 44.977 ( -3.412 -18.741 -1.040) 19.077 97.548 ( -0.285 1.749 0.915) 1.994 97.561 ( -0.162 1.705 0.252) 1.731 99.937 ( -0.255 0.253 -0.105) 0.374 99.977 ( -0.022 -0.115 0.011) 0.118 ======================= Grid point 168 (68/315) ======================= q-point: ( 0.27 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 9.600 3.423 5.224) 11.453 1.208 ( 11.476 1.819 6.385) 13.258 1.789 ( 0.853 9.350 -2.653) 9.757 1.927 ( 6.830 6.731 -0.968) 9.638 2.061 ( 1.265 -4.833 0.018) 4.996 2.471 ( -3.494 -5.273 3.015) 7.007 3.660 ( 8.589 7.127 0.874) 11.195 4.033 ( 6.240 6.398 -2.050) 9.169 4.750 ( 14.729 -3.570 -3.421) 15.537 4.830 ( 7.335 3.997 -7.549) 11.259 5.928 ( -7.543 -4.804 -6.674) 11.159 6.399 ( -2.571 -10.915 13.177) 17.302 7.957 ( -4.414 33.078 1.525) 33.406 10.475 ( -1.845 17.826 -0.066) 17.921 11.959 ( 1.265 22.232 -0.629) 22.277 12.582 ( 2.986 34.864 0.138) 34.992 15.024 ( -3.918 -5.225 -0.350) 6.540 16.339 ( 20.156 -10.625 -7.647) 24.034 44.726 ( 0.120 -12.265 0.321) 12.270 44.902 ( -3.832 -17.257 -1.467) 17.738 97.546 ( -0.182 1.763 0.777) 1.935 97.559 ( -0.157 1.666 0.250) 1.692 99.933 ( -0.138 0.052 -0.050) 0.156 99.977 ( 0.002 -0.211 0.070) 0.222 ======================= Grid point 169 (69/315) ======================= q-point: ( 0.36 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 11.155 0.610 1.618) 11.288 1.426 ( 9.864 1.607 2.251) 10.245 1.769 ( -1.768 7.368 -1.340) 7.695 2.014 ( -2.424 -3.658 -1.876) 4.772 2.062 ( 3.705 0.696 -1.161) 3.945 2.431 ( -2.578 -7.846 7.615) 11.234 3.800 ( 5.630 8.914 1.510) 10.651 4.127 ( 4.703 5.232 -2.551) 7.483 4.858 ( 3.804 -1.959 -15.497) 16.077 5.073 ( 13.480 -13.424 9.732) 21.369 5.773 ( -6.075 -5.847 -7.509) 11.290 6.374 ( -4.332 -12.225 12.885) 18.282 7.897 ( -2.566 35.797 1.296) 35.912 10.444 ( -1.260 17.381 0.013) 17.427 11.998 ( 2.852 29.421 -0.854) 29.571 12.614 ( 0.439 37.572 0.038) 37.574 14.953 ( -3.349 -3.539 0.219) 4.877 16.640 ( 13.917 -7.844 -7.264) 17.550 44.730 ( 0.278 -12.435 -0.085) 12.439 44.830 ( -3.118 -15.955 -1.549) 16.331 97.546 ( -0.034 1.694 0.636) 1.809 97.557 ( -0.208 1.665 0.334) 1.711 99.932 ( -0.035 -0.126 0.013) 0.132 99.977 ( 0.003 -0.310 0.122) 0.333 ======================= Grid point 170 (70/315) ======================= q-point: ( 0.45 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 8.080 0.196 0.165) 8.084 1.581 ( 5.266 2.830 -0.704) 6.020 1.715 ( -2.798 0.534 -3.081) 4.196 1.909 ( -5.518 1.378 0.403) 5.701 2.134 ( 2.961 -3.994 -0.857) 5.045 2.409 ( -2.982 -7.913 8.931) 12.299 3.874 ( 1.674 9.259 1.231) 9.489 4.196 ( 3.097 5.221 -1.173) 6.182 4.837 ( -1.107 -8.390 -13.789) 16.178 5.344 ( 10.942 -16.361 13.549) 23.895 5.668 ( -1.656 -7.278 -9.949) 12.438 6.326 ( -4.580 -11.538 12.870) 17.881 7.860 ( -1.797 37.294 0.329) 37.338 10.430 ( -0.231 16.849 0.283) 16.853 12.047 ( 2.179 34.494 -0.838) 34.573 12.604 ( -1.165 37.887 -0.458) 37.908 14.907 ( -1.488 -3.199 0.383) 3.549 16.806 ( 5.743 -5.915 -7.063) 10.856 44.730 ( -0.405 -12.256 -1.206) 12.322 44.786 ( -0.660 -15.378 -0.833) 15.415 97.548 ( 0.035 1.597 0.530) 1.683 97.554 ( -0.196 1.703 0.437) 1.769 99.932 ( 0.046 -0.218 0.093) 0.242 99.978 ( -0.011 -0.387 0.150) 0.415 ======================= Grid point 171 (71/315) ======================= q-point: (-0.45 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -4.411 0.542 0.086) 4.444 1.523 ( -8.447 -1.893 -1.544) 8.793 1.706 ( 1.423 4.268 -1.763) 4.832 1.913 ( 6.765 -0.313 -0.590) 6.798 2.161 ( 0.065 -5.709 -0.219) 5.714 2.365 ( -4.611 -3.955 7.848) 9.924 3.869 ( -2.433 9.036 1.007) 9.412 4.225 ( -0.172 6.886 0.274) 6.894 4.734 ( -5.158 -10.876 -13.232) 17.888 5.504 ( -0.509 -4.980 13.180) 14.099 5.707 ( 10.531 -19.349 -7.988) 23.432 6.294 ( -2.953 -9.494 12.813) 16.218 7.829 ( -1.276 37.835 -0.904) 37.867 10.437 ( 0.751 16.448 0.551) 16.474 12.063 ( -0.446 34.043 -0.194) 34.046 12.578 ( -1.137 37.503 -1.533) 37.551 14.902 ( 0.844 -3.809 0.171) 3.905 16.809 ( -3.052 -5.996 -6.969) 9.687 44.708 ( -0.939 -12.096 -1.858) 12.274 44.801 ( 1.992 -15.342 -0.454) 15.477 97.547 ( -0.300 1.685 0.485) 1.779 97.556 ( 0.199 1.596 0.509) 1.687 99.934 ( 0.091 -0.201 0.163) 0.274 99.978 ( -0.018 -0.417 0.158) 0.447 ======================= Grid point 172 (72/315) ======================= q-point: (-0.36 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -13.399 -2.599 -3.976) 14.216 1.337 ( -12.348 1.030 5.848) 13.702 1.748 ( 3.212 7.386 -1.519) 8.196 2.069 ( 7.313 -4.899 -1.081) 8.868 2.127 ( -3.992 -2.856 0.583) 4.943 2.295 ( -3.468 0.338 4.123) 5.398 3.798 ( -5.183 9.147 1.376) 10.603 4.177 ( -5.519 6.825 -0.240) 8.781 4.571 ( -7.337 -6.172 -11.817) 15.217 5.483 ( -2.995 -1.232 3.034) 4.438 5.920 ( 10.880 -19.756 2.096) 22.651 6.295 ( -1.422 -7.265 12.817) 14.801 7.816 ( 0.730 37.157 -1.838) 37.209 10.459 ( 1.308 16.205 0.624) 16.269 12.035 ( -2.146 27.971 0.700) 28.062 12.551 ( -1.254 36.895 -2.649) 37.011 14.937 ( 2.770 -5.127 -0.449) 5.845 16.653 ( -10.886 -8.312 -6.870) 15.323 44.690 ( -0.315 -11.763 -1.726) 11.893 44.849 ( 3.176 -16.063 -0.689) 16.388 97.543 ( -0.314 1.789 0.488) 1.880 97.562 ( 0.258 1.520 0.555) 1.639 99.936 ( 0.102 -0.085 0.190) 0.232 99.978 ( -0.008 -0.385 0.154) 0.415 ======================= Grid point 173 (73/315) ======================= q-point: (-0.27 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -13.310 0.117 -2.514) 13.546 1.105 ( -14.120 2.826 8.717) 16.833 1.797 ( 1.832 8.731 -1.741) 9.089 1.983 ( -10.440 6.588 1.655) 12.455 2.112 ( -3.079 -4.883 3.318) 6.658 2.338 ( 6.886 -2.606 -3.367) 8.096 3.690 ( -7.018 8.612 1.974) 11.283 3.997 ( -12.499 2.076 -4.335) 13.391 4.417 ( -5.227 7.572 -7.131) 11.641 5.422 ( -3.580 -0.145 -3.201) 4.805 6.100 ( 6.683 -14.035 5.566) 16.511 6.313 ( -1.118 -5.455 12.901) 14.052 7.858 ( 4.580 34.853 -2.147) 35.218 10.486 ( 1.166 15.967 0.410) 16.015 12.005 ( -0.888 20.427 1.336) 20.490 12.506 ( -2.633 34.107 -3.177) 34.356 14.996 ( 3.507 -7.097 -1.566) 8.070 16.364 ( -17.234 -11.874 -6.954) 22.053 44.686 ( 0.286 -11.531 -1.391) 11.618 44.911 ( 3.534 -17.113 -0.900) 17.497 97.539 ( -0.185 1.855 0.499) 1.930 97.568 ( 0.166 1.509 0.631) 1.645 99.939 ( 0.117 0.091 0.164) 0.221 99.978 ( 0.012 -0.293 0.137) 0.324 ======================= Grid point 174 (74/315) ======================= q-point: (-0.18 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -6.637 8.600 2.318) 11.107 0.885 ( -11.714 6.076 10.414) 16.810 1.691 ( -14.594 12.891 2.448) 19.626 1.866 ( -0.212 11.465 -1.623) 11.581 2.044 ( -4.370 -2.078 1.569) 5.087 2.454 ( 6.004 -4.833 -4.200) 8.778 3.523 ( -11.572 3.933 0.246) 12.225 3.739 ( -11.497 3.148 -4.219) 12.645 4.327 ( -2.822 19.021 -3.371) 19.522 5.316 ( -5.618 2.097 -11.987) 13.404 6.205 ( 2.153 -7.915 9.435) 12.503 6.330 ( -1.151 -4.275 11.395) 12.224 7.981 ( 9.195 31.176 -2.192) 32.578 10.501 ( 0.294 15.597 0.093) 15.600 12.024 ( 2.658 15.033 1.602) 15.350 12.431 ( -4.197 28.674 -3.289) 29.166 15.043 ( 1.623 -9.625 -3.341) 10.317 15.967 ( -22.027 -13.412 -6.802) 26.671 44.691 ( 0.648 -11.457 -0.948) 11.514 44.972 ( 3.079 -18.169 -0.889) 18.449 97.540 ( 0.041 1.835 0.592) 1.928 97.572 ( -0.024 1.555 0.701) 1.706 99.942 ( 0.191 0.265 0.075) 0.335 99.979 ( 0.016 -0.173 0.101) 0.201 ======================= Grid point 175 (75/315) ======================= q-point: (-0.09 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -3.483 10.943 11.359) 16.152 0.776 ( 2.962 16.211 7.034) 17.918 1.393 ( -16.668 19.691 5.521) 26.383 1.859 ( -0.101 11.112 -2.936) 11.494 1.971 ( -3.291 1.991 -0.580) 3.890 2.532 ( 3.797 -4.551 -4.679) 7.551 3.299 ( -10.122 1.974 -0.931) 10.355 3.543 ( -8.933 2.374 -0.457) 9.254 4.284 ( -0.915 24.646 -1.906) 24.736 5.117 ( -9.538 9.315 -22.966) 26.555 6.254 ( -0.011 -3.336 10.464) 10.983 6.336 ( -2.050 -4.008 10.903) 11.796 8.175 ( 11.019 24.891 -3.948) 27.506 10.499 ( -0.339 15.468 0.375) 15.477 12.114 ( 5.799 13.240 1.001) 14.489 12.335 ( -4.319 21.721 -3.755) 22.462 14.984 ( -7.834 -10.018 -4.713) 13.563 15.566 ( -14.810 -7.934 -3.427) 17.147 44.702 ( 0.708 -11.499 -0.487) 11.531 45.019 ( 2.094 -19.150 -0.484) 19.270 97.545 ( 0.210 1.643 0.791) 1.835 97.571 ( -0.225 1.646 0.714) 1.809 99.946 ( 0.251 0.324 -0.114) 0.425 99.979 ( -0.013 -0.080 0.051) 0.096 ======================= Grid point 176 (76/315) ======================= q-point: ( 0.00 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -0.334 12.366 7.451) 14.441 1.229 ( -0.324 15.639 3.025) 15.932 1.660 ( 0.078 20.998 6.873) 22.095 1.968 ( -0.026 3.052 -2.346) 3.849 2.107 ( 0.370 11.222 -3.283) 11.698 2.500 ( 2.370 -4.111 -4.297) 6.402 3.235 ( -2.419 4.033 0.790) 4.769 3.471 ( 1.600 0.855 1.357) 2.266 4.796 ( 0.546 25.575 -3.746) 25.854 5.139 ( -3.807 9.840 -16.547) 19.624 6.230 ( -3.916 -4.189 11.927) 13.234 6.316 ( 0.389 3.608 4.076) 5.457 8.733 ( 0.744 25.454 -3.006) 25.642 10.827 ( 0.985 15.667 3.135) 16.008 12.473 ( -5.408 18.178 -1.520) 19.026 12.671 ( 6.765 19.432 -1.152) 20.609 14.772 ( 1.306 -4.906 -0.667) 5.121 15.302 ( 0.638 -8.342 -1.689) 8.535 44.448 ( 0.398 -15.065 -0.711) 15.087 44.615 ( 0.240 -22.962 -1.070) 22.988 97.587 ( 0.037 2.167 0.666) 2.268 97.607 ( -0.242 2.150 0.519) 2.225 99.952 ( -0.040 0.147 -0.190) 0.243 99.978 ( -0.055 -0.091 0.097) 0.144 ======================= Grid point 177 (77/315) ======================= q-point: ( 0.09 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 2.695 10.471 7.412) 13.109 1.139 ( -7.642 17.084 6.036) 19.665 1.778 ( 7.667 16.335 4.330) 18.557 1.961 ( 0.040 1.421 -2.341) 2.739 2.104 ( 0.186 11.621 -3.278) 12.076 2.497 ( -1.561 -4.889 -2.416) 5.672 3.291 ( 8.504 2.339 -1.355) 8.923 3.634 ( 13.236 -0.049 3.024) 13.577 4.762 ( -2.460 21.841 -5.158) 22.576 5.037 ( -1.427 11.654 -15.386) 19.355 6.162 ( -5.976 -3.784 3.123) 7.732 6.308 ( -3.265 0.994 9.940) 10.509 8.709 ( -1.900 28.266 -1.749) 28.384 10.856 ( 0.550 16.071 3.074) 16.372 12.346 ( -4.286 17.927 -0.848) 18.452 12.895 ( 13.813 26.053 -0.459) 29.492 14.850 ( 5.217 -9.033 -0.563) 10.447 15.411 ( 12.022 -8.109 -2.293) 14.681 44.451 ( 0.097 -15.311 -0.504) 15.320 44.605 ( -0.951 -22.701 -1.223) 22.754 97.588 ( -0.093 2.191 0.754) 2.319 97.603 ( -0.292 2.154 0.380) 2.206 99.948 ( -0.306 0.165 -0.199) 0.401 99.976 ( -0.126 -0.109 0.084) 0.187 ======================= Grid point 178 (78/315) ======================= q-point: ( 0.18 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -1.797 13.612 6.762) 15.305 1.086 ( 5.076 7.481 8.205) 12.208 1.917 ( 5.426 9.724 0.005) 11.135 1.957 ( 0.428 -0.190 -1.957) 2.012 2.091 ( -0.460 11.072 -2.095) 11.278 2.439 ( -3.924 -5.533 0.279) 6.789 3.497 ( 12.441 -0.319 -1.848) 12.582 3.923 ( 14.695 0.117 3.223) 15.045 4.693 ( -2.134 12.790 -5.725) 14.174 4.979 ( -0.543 9.539 -12.447) 15.691 6.022 ( -8.761 -3.356 -2.139) 9.622 6.266 ( -4.810 -4.492 12.866) 14.451 8.669 ( -1.706 33.026 0.050) 33.071 10.857 ( -1.288 16.698 2.122) 16.882 12.335 ( 3.060 21.306 0.521) 21.531 13.145 ( 12.255 34.397 -0.777) 36.523 14.912 ( 1.299 -9.339 0.069) 9.429 15.726 ( 21.115 -10.382 -4.398) 23.937 44.449 ( -0.078 -15.594 -0.395) 15.599 44.573 ( -1.840 -21.562 -1.494) 21.692 97.588 ( -0.221 2.231 0.785) 2.375 97.599 ( -0.227 2.097 0.265) 2.126 99.941 ( -0.385 0.117 -0.163) 0.434 99.974 ( -0.147 -0.206 0.102) 0.273 ======================= Grid point 179 (79/315) ======================= q-point: ( 0.27 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 4.127 8.844 6.236) 11.582 1.250 ( 8.928 2.741 5.890) 11.041 1.921 ( -2.944 -3.220 -1.147) 4.512 1.997 ( 2.464 7.680 -2.997) 8.605 2.093 ( 1.175 7.760 -0.821) 7.891 2.357 ( -5.090 -6.318 3.040) 8.664 3.719 ( 11.297 -0.856 -0.507) 11.341 4.154 ( 8.196 4.666 -0.136) 9.432 4.681 ( 2.849 -1.933 -1.536) 3.770 4.922 ( -2.059 4.285 -10.947) 11.935 5.836 ( -9.496 -4.250 -2.933) 10.809 6.211 ( -5.194 -8.342 12.497) 15.897 8.647 ( -0.868 36.799 1.124) 36.826 10.827 ( -2.259 16.926 1.329) 17.128 12.449 ( 8.205 27.182 0.674) 28.402 13.334 ( 7.769 40.470 -1.035) 41.222 14.910 ( -1.330 -6.409 0.761) 6.589 16.126 ( 21.818 -10.737 -5.978) 25.041 44.446 ( -0.065 -15.958 -0.423) 15.964 44.530 ( -2.101 -19.879 -1.702) 20.062 97.586 ( -0.232 2.192 0.690) 2.309 97.596 ( -0.183 2.058 0.289) 2.086 99.933 ( -0.320 -0.022 -0.103) 0.337 99.971 ( -0.137 -0.345 0.126) 0.392 ======================= Grid point 180 (80/315) ======================= q-point: ( 0.36 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 8.435 4.403 3.216) 10.043 1.440 ( 9.307 0.216 3.094) 9.810 1.826 ( -6.444 -3.325 -2.773) 7.763 2.009 ( -1.136 4.559 -0.375) 4.713 2.109 ( 0.564 4.076 -0.484) 4.144 2.284 ( -3.289 -6.659 5.407) 9.187 3.916 ( 9.257 1.464 1.261) 9.456 4.231 ( 1.910 6.137 -4.278) 7.721 4.786 ( 3.552 -14.769 5.976) 16.323 4.831 ( -0.676 -1.518 -12.033) 12.147 5.669 ( -6.932 -4.321 -2.124) 8.441 6.153 ( -4.730 -10.020 11.323) 15.843 8.639 ( -0.552 39.048 1.367) 39.075 10.789 ( -1.948 16.636 0.919) 16.775 12.621 ( 9.183 33.178 -0.125) 34.426 13.426 ( 2.315 43.710 -1.196) 43.788 14.876 ( -2.261 -4.207 0.923) 4.865 16.474 ( 16.405 -8.831 -6.828) 19.843 44.445 ( 0.182 -16.469 -0.572) 16.480 44.487 ( -1.768 -18.053 -1.771) 18.226 97.584 ( -0.127 2.092 0.556) 2.169 97.594 ( -0.199 2.056 0.383) 2.101 99.929 ( -0.175 -0.173 -0.011) 0.246 99.969 ( -0.110 -0.482 0.131) 0.511 ======================= Grid point 181 (81/315) ======================= q-point: ( 0.45 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 8.307 2.562 1.171) 8.771 1.606 ( 6.202 -0.268 0.673) 6.244 1.666 ( -7.767 -4.675 -4.886) 10.298 1.936 ( -6.094 0.009 2.413) 6.554 2.115 ( 0.043 2.733 0.754) 2.836 2.284 ( 0.886 -3.992 6.292) 7.504 4.048 ( 2.908 7.356 1.868) 8.127 4.260 ( 3.898 0.696 -3.309) 5.160 4.665 ( -7.399 -8.667 -7.994) 13.920 4.989 ( 10.351 -18.101 4.837) 21.406 5.565 ( -3.632 -3.380 -1.718) 5.251 6.111 ( -3.134 -10.101 10.515) 14.914 8.630 ( -0.900 40.239 0.952) 40.260 10.764 ( -0.840 16.134 0.756) 16.173 12.760 ( 4.731 36.914 -0.953) 37.228 13.426 ( -1.194 44.648 -1.630) 44.693 14.840 ( -1.662 -3.542 0.554) 3.952 16.676 ( 6.853 -7.129 -7.199) 12.232 44.451 ( 0.284 -18.051 -0.890) 18.075 44.455 ( -0.695 -15.569 -1.621) 15.669 97.584 ( -0.022 2.001 0.472) 2.056 97.591 ( -0.185 2.068 0.455) 2.126 99.927 ( 0.001 -0.264 0.096) 0.281 99.968 ( -0.067 -0.573 0.117) 0.589 ======================= Grid point 182 (82/315) ======================= q-point: (-0.45 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -11.305 -1.294 -3.423) 11.883 1.499 ( -1.718 1.265 1.721) 2.741 1.742 ( 5.228 -1.649 -0.917) 5.558 1.873 ( 1.552 -3.291 0.912) 3.751 2.113 ( -0.601 1.792 1.052) 2.163 2.326 ( 0.742 -0.079 6.185) 6.230 4.032 ( -4.056 6.627 1.044) 7.839 4.347 ( 3.389 4.862 1.367) 6.082 4.506 ( -5.271 -11.819 -10.155) 16.450 5.228 ( 13.082 -20.080 7.509) 25.115 5.509 ( -1.854 -2.537 -2.554) 4.049 6.107 ( -0.818 -9.332 10.452) 14.035 8.610 ( -1.336 40.770 0.137) 40.792 10.763 ( 0.406 15.727 0.669) 15.746 12.764 ( -4.146 36.256 -0.704) 36.499 13.394 ( -1.155 44.450 -2.964) 44.563 14.822 ( -0.244 -4.175 -0.168) 4.186 16.678 ( -4.252 -7.145 -7.096) 10.931 44.433 ( -0.493 -15.792 -1.638) 15.884 44.470 ( 1.466 -17.598 -0.981) 17.686 97.585 ( -0.149 2.058 0.492) 2.121 97.591 ( 0.064 1.985 0.443) 2.035 99.929 ( 0.159 -0.256 0.178) 0.350 99.968 ( -0.001 -0.594 0.103) 0.603 ======================= Grid point 183 (83/315) ======================= q-point: (-0.36 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -11.340 0.179 -3.481) 11.864 1.380 ( -10.691 3.307 6.451) 12.917 1.833 ( 5.167 -0.656 -1.667) 5.469 1.974 ( 6.283 -4.420 -0.643) 7.708 2.104 ( -0.148 3.020 -0.006) 3.024 2.335 ( -1.599 2.938 4.734) 5.796 3.929 ( -7.088 3.032 1.844) 7.927 4.255 ( -10.251 -0.384 -4.879) 11.359 4.513 ( 5.677 1.976 -3.458) 6.935 5.465 ( -1.739 -0.443 4.287) 4.647 5.530 ( 15.635 -19.029 0.331) 24.630 6.142 ( 0.703 -8.129 11.278) 13.921 8.586 ( -0.899 40.363 -0.746) 40.380 10.780 ( 1.132 15.502 0.539) 15.553 12.624 ( -9.438 31.362 0.229) 32.752 13.351 ( -2.826 43.218 -4.423) 43.536 14.828 ( 0.932 -5.843 -1.037) 6.007 16.481 ( -13.976 -9.028 -6.537) 17.877 44.424 ( 0.042 -15.083 -1.558) 15.164 44.500 ( 2.098 -18.794 -1.100) 18.943 97.582 ( -0.215 2.185 0.494) 2.250 97.596 ( 0.233 1.894 0.467) 1.965 99.934 ( 0.259 -0.150 0.193) 0.356 99.969 ( 0.080 -0.540 0.109) 0.556 ======================= Grid point 184 (84/315) ======================= q-point: (-0.27 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -6.293 6.341 -0.759) 8.965 1.190 ( -10.936 5.756 7.526) 14.469 1.910 ( 2.931 0.190 -1.674) 3.380 2.035 ( 0.315 -0.743 -0.035) 0.808 2.121 ( 0.708 6.864 0.154) 6.902 2.317 ( 0.098 1.229 1.029) 1.606 3.772 ( -10.445 -0.041 1.292) 10.524 4.023 ( -11.703 0.760 -5.097) 12.787 4.614 ( 5.538 11.615 -2.103) 13.038 5.426 ( -1.941 0.672 -3.830) 4.346 5.836 ( 14.431 -12.798 5.718) 20.118 6.194 ( 0.587 -6.538 12.684) 14.282 8.581 ( 0.981 38.262 -1.356) 38.299 10.803 ( 0.906 15.323 0.405) 15.355 12.453 ( -7.934 24.844 1.072) 26.102 13.242 ( -7.299 39.558 -5.108) 40.549 14.845 ( 1.141 -8.133 -1.835) 8.415 16.134 ( -19.983 -11.327 -5.664) 23.658 44.424 ( 0.447 -14.773 -1.413) 14.847 44.539 ( 2.300 -20.128 -1.190) 20.293 97.580 ( -0.135 2.263 0.471) 2.316 97.602 ( 0.215 1.898 0.538) 1.985 99.940 ( 0.301 0.005 0.133) 0.329 99.971 ( 0.146 -0.422 0.134) 0.466 ======================= Grid point 185 (85/315) ======================= q-point: (-0.18 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 1.220 13.255 2.641) 13.570 1.040 ( -6.341 9.722 7.357) 13.743 1.899 ( -4.538 5.848 -0.336) 7.410 2.020 ( -1.847 3.098 -0.287) 3.618 2.104 ( -0.758 10.679 0.815) 10.737 2.369 ( 4.701 -3.343 -2.838) 6.428 3.544 ( -12.679 -0.375 -1.645) 12.790 3.799 ( -11.433 1.983 -0.826) 11.633 4.704 ( 4.683 18.812 -2.577) 19.557 5.364 ( -2.761 2.766 -8.479) 9.336 6.088 ( 9.919 -4.946 6.165) 12.683 6.237 ( -0.456 -5.094 13.016) 13.985 8.620 ( 3.558 33.966 -1.722) 34.196 10.813 ( -0.017 15.144 0.633) 15.157 12.362 ( -1.657 19.211 1.627) 19.350 13.046 ( -11.474 32.992 -5.133) 35.305 14.850 ( -0.223 -9.887 -2.338) 10.162 15.727 ( -20.236 -11.215 -4.407) 23.552 44.431 ( 0.666 -14.726 -1.200) 14.790 44.576 ( 1.985 -21.411 -1.211) 21.536 97.581 ( -0.002 2.280 0.485) 2.331 97.607 ( 0.087 1.969 0.598) 2.060 99.946 ( 0.307 0.128 0.025) 0.334 99.975 ( 0.144 -0.276 0.147) 0.344 ======================= Grid point 186 (86/315) ======================= q-point: (-0.09 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -3.496 11.867 7.106) 14.267 1.114 ( 8.167 16.732 3.916) 19.026 1.757 ( -9.314 16.346 3.419) 19.121 1.984 ( -1.242 3.342 -1.202) 3.763 2.108 ( 0.618 10.012 -2.028) 10.234 2.447 ( 4.355 -3.736 -3.934) 6.957 3.335 ( -8.076 2.028 -1.025) 8.390 3.578 ( -11.151 1.333 1.170) 11.291 4.770 ( 3.143 23.953 -3.238) 24.375 5.265 ( -4.009 6.094 -13.521) 15.363 6.233 ( 0.292 -0.390 16.542) 16.550 6.267 ( 2.477 -2.590 1.811) 4.016 8.692 ( 4.114 28.314 -2.466) 28.717 10.812 ( -0.187 15.298 1.772) 15.401 12.408 ( 5.661 16.596 1.466) 17.596 12.797 ( -12.427 24.781 -4.634) 28.107 14.810 ( -3.127 -8.003 -1.983) 8.818 15.403 ( -11.287 -8.813 -2.616) 14.557 44.441 ( 0.644 -14.850 -0.954) 14.894 44.604 ( 1.267 -22.424 -1.126) 22.488 97.583 ( 0.084 2.223 0.562) 2.295 97.609 ( -0.090 2.073 0.599) 2.159 99.951 ( 0.223 0.158 -0.099) 0.291 99.977 ( 0.060 -0.153 0.129) 0.209 ======================= Grid point 187 (87/315) ======================= q-point: ( 0.00 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -0.225 13.214 2.546) 13.459 1.504 ( 0.529 12.322 1.578) 12.434 1.928 ( -0.038 3.735 1.516) 4.031 2.114 ( -1.466 14.106 1.853) 14.303 2.254 ( 3.830 1.273 -7.064) 8.136 2.458 ( -1.120 2.063 1.088) 2.588 3.320 ( -1.764 4.499 0.748) 4.890 3.489 ( 0.917 0.913 1.529) 2.003 5.232 ( -0.922 17.292 -7.973) 19.064 5.294 ( -1.256 7.428 -12.338) 14.456 6.166 ( -4.548 -1.908 13.081) 13.979 6.384 ( 0.487 2.891 6.601) 7.223 9.276 ( 0.749 29.708 -1.294) 29.746 11.068 ( 1.003 7.762 4.396) 8.977 12.844 ( -5.019 19.304 -1.184) 19.981 13.051 ( 7.713 18.818 -0.620) 20.347 14.684 ( 0.580 -3.863 -0.626) 3.956 15.116 ( 1.020 -10.470 -1.557) 10.634 44.142 ( 0.148 -15.776 -1.504) 15.848 44.182 ( 0.338 -20.369 -1.544) 20.430 97.630 ( 0.039 2.223 0.539) 2.287 97.649 ( -0.190 2.005 0.492) 2.073 99.955 ( -0.036 0.105 -0.179) 0.211 99.975 ( -0.047 -0.167 0.170) 0.243 ======================= Grid point 188 (88/315) ======================= q-point: ( 0.09 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 0.543 11.520 2.620) 11.827 1.445 ( -6.328 14.006 3.983) 15.877 1.928 ( -0.800 -0.027 -0.081) 0.804 2.117 ( 1.405 12.804 0.135) 12.882 2.291 ( 1.668 5.206 -5.843) 8.002 2.411 ( -4.129 -1.462 2.499) 5.043 3.347 ( 5.237 3.406 -0.913) 6.313 3.629 ( 11.580 -0.560 2.806) 11.928 5.120 ( -6.560 13.336 -10.467) 18.178 5.229 ( -2.801 9.239 -10.793) 14.480 6.094 ( -6.694 -2.399 8.780) 11.299 6.336 ( -7.533 1.076 8.579) 11.468 9.298 ( 1.783 31.609 -0.561) 31.664 11.103 ( 0.878 8.161 4.550) 9.385 12.725 ( -2.401 20.550 0.105) 20.691 13.385 ( 22.000 22.850 -0.219) 31.720 14.694 ( 1.012 -6.727 -0.092) 6.803 15.242 ( 12.126 -9.103 -1.682) 15.255 44.137 ( -0.191 -16.560 -1.534) 16.632 44.181 ( 0.055 -19.495 -1.556) 19.557 97.632 ( -0.060 2.202 0.633) 2.292 97.645 ( -0.314 2.033 0.395) 2.095 99.951 ( -0.312 0.105 -0.204) 0.387 99.973 ( -0.211 -0.200 0.159) 0.331 ======================= Grid point 189 (89/315) ======================= q-point: ( 0.18 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 2.248 8.167 3.064) 9.007 1.339 ( -5.559 14.086 6.414) 16.446 1.892 ( -2.705 -3.020 -0.892) 4.151 2.153 ( 2.357 10.167 -2.830) 10.814 2.277 ( -1.377 5.411 -3.706) 6.702 2.330 ( -5.322 -2.858 3.946) 7.216 3.489 ( 9.330 0.081 -1.684) 9.481 3.893 ( 14.263 -2.990 3.455) 14.977 4.933 ( -9.700 11.001 -9.523) 17.488 5.121 ( -4.893 5.156 -10.105) 12.355 5.963 ( -9.479 -2.390 3.318) 10.323 6.193 ( -9.734 -3.334 11.547) 15.466 9.334 ( 1.912 34.441 0.429) 34.497 11.117 ( -0.928 8.867 3.464) 9.565 12.782 ( 7.670 23.980 1.765) 25.238 13.796 ( 20.335 30.641 -1.109) 36.792 14.727 ( 2.267 -9.206 0.790) 9.514 15.538 ( 19.438 -8.954 -3.115) 21.627 44.126 ( -0.360 -17.124 -1.553) 17.198 44.174 ( -0.181 -18.144 -1.587) 18.214 97.632 ( -0.217 2.184 0.694) 2.302 97.640 ( -0.288 2.010 0.305) 2.053 99.942 ( -0.467 0.066 -0.188) 0.508 99.969 ( -0.297 -0.312 0.159) 0.459 ======================= Grid point 190 (90/315) ======================= q-point: ( 0.27 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.096 8.017 5.795) 9.893 1.333 ( 4.234 7.057 4.113) 9.200 1.824 ( -4.227 -5.124 -1.140) 6.740 2.170 ( -0.923 7.970 -1.701) 8.202 2.214 ( -3.799 -3.498 -0.309) 5.173 2.258 ( -2.517 4.348 1.247) 5.176 3.668 ( 9.973 -3.222 -1.129) 10.541 4.158 ( 12.118 -4.543 2.957) 13.276 4.709 ( -10.949 4.515 -6.294) 13.412 4.982 ( -6.630 1.805 -9.687) 11.877 5.774 ( -10.403 -1.926 2.071) 10.780 6.068 ( -7.288 -6.430 10.882) 14.590 9.368 ( 1.333 36.238 1.111) 36.279 11.093 ( -2.336 9.355 2.320) 9.917 12.996 ( 13.390 28.110 1.826) 31.190 14.107 ( 12.722 37.280 -1.797) 39.432 14.772 ( 1.650 -7.806 1.508) 8.120 15.928 ( 22.289 -9.448 -5.020) 24.724 44.115 ( -0.317 -17.220 -1.568) 17.294 44.165 ( -0.261 -16.834 -1.584) 16.911 97.629 ( -0.304 2.131 0.603) 2.235 97.637 ( -0.214 1.976 0.355) 2.019 99.933 ( -0.453 -0.023 -0.124) 0.471 99.963 ( -0.302 -0.466 0.150) 0.576 ======================= Grid point 191 (91/315) ======================= q-point: ( 0.36 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 3.871 4.456 4.616) 7.493 1.459 ( 7.090 2.471 2.180) 7.818 1.721 ( -6.253 -5.862 -1.676) 8.734 2.062 ( -8.685 -2.411 4.660) 10.147 2.204 ( 1.245 4.702 -0.856) 4.939 2.231 ( -0.637 3.627 -0.302) 3.695 3.861 ( 10.777 -5.560 -0.049) 12.127 4.343 ( 5.534 0.936 -0.958) 5.694 4.507 ( -7.821 -9.226 0.150) 12.096 4.817 ( -7.084 -0.659 -8.022) 10.722 5.616 ( -6.712 -1.044 2.249) 7.156 5.983 ( -5.008 -7.513 8.737) 12.565 9.390 ( 0.575 37.048 1.349) 37.077 11.053 ( -2.362 9.433 1.542) 9.846 13.258 ( 12.878 31.074 0.557) 33.641 14.265 ( 4.985 40.930 -2.193) 41.290 14.788 ( -0.450 -4.890 1.461) 5.124 16.302 ( 18.040 -8.791 -6.495) 21.093 44.106 ( -0.077 -16.953 -1.530) 17.022 44.155 ( -0.184 -15.871 -1.581) 15.950 97.625 ( -0.215 2.048 0.481) 2.115 97.634 ( -0.210 1.956 0.437) 2.015 99.925 ( -0.293 -0.128 -0.020) 0.321 99.959 ( -0.236 -0.609 0.124) 0.665 ======================= Grid point 192 (92/315) ======================= q-point: ( 0.45 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 6.062 -0.057 1.698) 6.296 1.558 ( -4.248 -5.372 -4.036) 7.950 1.611 ( 2.343 1.515 2.527) 3.764 1.905 ( -8.993 -2.620 5.205) 10.716 2.207 ( -0.692 5.488 0.670) 5.572 2.266 ( 3.589 1.751 2.438) 4.679 4.068 ( 10.405 -6.298 0.669) 12.181 4.275 ( -7.633 0.925 -2.188) 7.994 4.468 ( -1.565 -11.012 -0.579) 11.138 4.739 ( 2.708 -6.005 -1.523) 6.761 5.531 ( -3.254 -0.190 1.820) 3.733 5.936 ( -2.555 -7.847 7.553) 11.187 9.397 ( -0.317 37.452 1.192) 37.472 11.021 ( -1.294 9.241 1.026) 9.387 13.443 ( 5.650 31.962 -0.870) 32.470 14.297 ( -0.285 43.168 -2.655) 43.250 14.771 ( -1.464 -3.539 0.545) 3.869 16.530 ( 7.647 -7.965 -7.170) 13.165 44.103 ( 0.260 -16.628 -1.413) 16.690 44.149 ( 0.024 -15.344 -1.623) 15.430 97.624 ( -0.068 1.979 0.428) 2.026 97.632 ( -0.193 1.946 0.460) 2.009 99.922 ( -0.046 -0.204 0.094) 0.229 99.956 ( -0.115 -0.693 0.088) 0.708 ======================= Grid point 193 (93/315) ======================= q-point: (-0.45 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -8.706 -2.801 -3.638) 9.842 1.547 ( 1.273 1.167 3.118) 3.564 1.677 ( 0.966 -2.595 1.478) 3.138 1.817 ( 1.058 -2.028 1.978) 3.024 2.202 ( 0.216 6.022 0.578) 6.054 2.347 ( 3.128 1.822 4.695) 5.929 4.075 ( -9.116 -3.648 1.597) 9.948 4.266 ( 3.741 -10.621 -5.045) 12.339 4.437 ( 2.567 3.068 1.440) 4.252 4.897 ( 12.796 -12.155 1.825) 17.743 5.492 ( -1.667 0.447 1.540) 2.313 5.937 ( 0.084 -7.958 7.678) 11.058 9.385 ( -1.233 37.730 0.705) 37.756 11.012 ( 0.110 8.964 0.638) 8.987 13.434 ( -6.301 31.346 -1.108) 31.992 14.261 ( -2.047 42.936 -4.074) 43.177 14.743 ( -1.392 -3.769 -0.628) 4.066 16.531 ( -5.122 -8.015 -7.051) 11.840 44.106 ( 0.539 -16.408 -1.260) 16.465 44.147 ( 0.341 -15.354 -1.712) 15.453 97.625 ( -0.019 1.983 0.471) 2.038 97.630 ( -0.051 1.913 0.403) 1.956 99.924 ( 0.207 -0.213 0.177) 0.346 99.955 ( 0.036 -0.692 0.064) 0.696 ======================= Grid point 194 (94/315) ======================= q-point: (-0.36 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -5.726 2.974 -1.686) 6.669 1.461 ( -8.730 4.748 6.058) 11.638 1.752 ( 5.605 -5.747 -0.267) 8.033 1.903 ( 5.770 -3.024 -1.297) 6.643 2.224 ( 2.077 7.441 0.149) 7.727 2.396 ( 0.243 3.064 4.674) 5.594 3.905 ( -9.150 -4.471 2.052) 10.389 4.188 ( -7.208 -5.578 -5.578) 10.686 4.611 ( 11.706 6.189 2.430) 13.462 5.208 ( 19.035 -13.249 0.809) 23.206 5.473 ( -1.033 1.240 2.346) 2.847 5.984 ( 1.969 -7.861 9.201) 12.261 9.357 ( -1.769 37.728 0.017) 37.769 11.026 ( 0.951 8.694 0.349) 8.753 13.227 ( -14.066 29.450 -0.404) 32.640 14.181 ( -5.563 40.194 -5.787) 40.988 14.714 ( -1.314 -5.489 -1.536) 5.850 16.305 ( -15.971 -9.006 -6.252) 19.372 44.114 ( 0.666 -16.129 -1.168) 16.185 44.151 ( 0.682 -16.114 -1.781) 16.226 97.625 ( -0.111 2.088 0.483) 2.146 97.633 ( 0.209 1.841 0.397) 1.895 99.931 ( 0.386 -0.147 0.187) 0.453 99.957 ( 0.189 -0.616 0.074) 0.648 ======================= Grid point 195 (95/315) ======================= q-point: (-0.27 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 0.576 9.381 0.529) 9.413 1.322 ( -7.261 7.546 5.602) 11.877 1.848 ( 4.288 -4.479 0.129) 6.202 2.000 ( 5.295 -3.553 -3.649) 7.347 2.281 ( 3.577 8.502 0.162) 9.225 2.384 ( -2.606 4.812 3.755) 6.637 3.733 ( -9.928 -2.775 0.896) 10.348 4.009 ( -9.808 -2.463 -2.702) 10.468 4.840 ( 11.758 10.923 -0.426) 16.055 5.446 ( 0.874 1.033 -6.964) 7.095 5.611 ( 19.244 -9.571 8.729) 23.198 6.061 ( 2.417 -7.009 11.883) 14.006 9.323 ( -1.656 36.861 -0.625) 36.904 11.044 ( 0.669 8.392 0.319) 8.424 12.955 ( -13.500 25.842 0.461) 29.159 13.993 ( -12.593 35.519 -6.735) 38.283 14.685 ( -1.113 -7.690 -1.885) 7.995 15.926 ( -21.085 -9.944 -4.992) 23.841 44.123 ( 0.707 -15.704 -1.197) 15.766 44.160 ( 0.853 -17.544 -1.772) 17.654 97.625 ( -0.064 2.171 0.433) 2.214 97.639 ( 0.263 1.840 0.475) 1.918 99.939 ( 0.443 -0.038 0.110) 0.458 99.962 ( 0.297 -0.488 0.125) 0.584 ======================= Grid point 196 (96/315) ======================= q-point: (-0.18 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -1.591 11.210 3.098) 11.738 1.267 ( 4.173 12.725 3.161) 13.760 1.909 ( 2.138 -1.916 0.176) 2.876 2.080 ( 4.604 -1.086 -5.320) 7.119 2.298 ( -3.998 8.811 3.131) 10.169 2.381 ( 3.290 5.518 0.279) 6.430 3.539 ( -9.982 0.279 -0.945) 10.031 3.808 ( -11.268 -0.930 0.667) 11.326 5.043 ( 10.221 15.482 -3.829) 18.942 5.422 ( -0.943 3.137 -6.663) 7.424 5.987 ( 16.972 -5.520 4.999) 18.534 6.141 ( 1.314 -4.649 15.020) 15.778 9.294 ( -1.071 34.449 -1.047) 34.482 11.049 ( -0.242 8.025 1.003) 8.091 12.764 ( -6.026 21.608 1.185) 22.464 13.666 ( -19.211 28.750 -6.585) 35.199 14.666 ( -0.214 -8.364 -1.585) 8.516 15.524 ( -18.983 -9.654 -3.652) 21.608 44.133 ( 0.689 -15.359 -1.297) 15.429 44.170 ( 0.774 -19.106 -1.708) 19.198 97.626 ( 0.017 2.226 0.418) 2.265 97.645 ( 0.179 1.881 0.536) 1.964 99.947 ( 0.389 0.056 -0.011) 0.393 99.969 ( 0.291 -0.342 0.178) 0.482 ======================= Grid point 197 (97/315) ======================= q-point: (-0.09 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -1.280 12.808 2.917) 13.198 1.410 ( 7.538 13.373 2.123) 15.497 1.929 ( 0.003 1.685 0.422) 1.737 2.131 ( 1.414 8.247 -2.921) 8.863 2.232 ( -1.601 3.483 -0.604) 3.880 2.443 ( 2.356 4.763 0.298) 5.322 3.383 ( -5.631 2.894 -0.450) 6.346 3.596 ( -10.669 0.480 1.827) 10.835 5.190 ( 6.735 18.370 -6.645) 20.663 5.368 ( -2.076 4.659 -9.606) 10.876 6.178 ( -0.815 -3.436 13.366) 13.825 6.270 ( 8.990 0.974 7.220) 11.571 9.277 ( -0.296 31.116 -1.331) 31.146 11.048 ( -0.170 7.762 2.711) 8.224 12.755 ( 4.664 18.671 1.298) 19.288 13.268 ( -19.463 22.298 -5.046) 30.025 14.670 ( 0.946 -6.162 -1.019) 6.316 15.223 ( -11.150 -9.571 -2.479) 14.902 44.140 ( 0.508 -15.305 -1.415) 15.379 44.178 ( 0.570 -20.233 -1.614) 20.305 97.628 ( 0.064 2.239 0.458) 2.286 97.649 ( 0.006 1.945 0.545) 2.020 99.953 ( 0.229 0.097 -0.115) 0.274 99.974 ( 0.151 -0.221 0.188) 0.328 ======================= Grid point 198 (98/315) ======================= q-point: ( 0.00 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -0.272 12.660 -1.026) 12.704 1.711 ( 1.129 8.889 0.343) 8.967 1.934 ( -0.529 -1.669 -0.329) 1.782 2.173 ( 3.954 -6.823 -5.085) 9.383 2.385 ( -0.908 11.679 1.930) 11.872 2.553 ( -2.484 5.003 2.027) 5.942 3.403 ( -1.087 3.860 0.931) 4.117 3.502 ( 0.247 0.328 1.556) 1.609 5.388 ( -2.659 4.895 -11.000) 12.330 5.496 ( 0.478 6.848 -14.461) 16.008 6.178 ( -4.365 3.503 16.874) 17.778 6.416 ( -0.179 0.088 9.721) 9.723 9.871 ( 1.005 30.346 0.270) 30.364 11.097 ( 1.113 -5.102 4.494) 6.889 13.208 ( -3.157 17.307 -0.939) 17.618 13.378 ( 6.736 13.811 -0.367) 15.371 14.626 ( 0.464 -1.908 -0.495) 2.025 14.902 ( 1.199 -11.012 -1.352) 11.160 43.838 ( -0.043 -13.386 -2.246) 13.573 43.867 ( 0.450 -12.497 -1.741) 12.625 97.670 ( 0.018 1.712 0.498) 1.783 97.682 ( -0.135 1.349 0.486) 1.440 99.957 ( -0.033 0.150 -0.149) 0.214 99.971 ( -0.042 -0.248 0.167) 0.302 ======================= Grid point 199 (99/315) ======================= q-point: ( 0.09 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -1.300 11.266 -1.178) 11.402 1.681 ( -4.251 9.936 2.103) 11.010 1.900 ( -2.803 -2.336 -0.678) 3.711 2.194 ( -0.130 -5.958 -2.714) 6.548 2.381 ( -0.778 8.912 0.690) 8.973 2.493 ( -3.705 5.272 0.763) 6.489 3.421 ( 3.308 4.002 -0.133) 5.194 3.608 ( 8.934 -1.633 2.243) 9.355 5.283 ( -4.744 5.348 -12.417) 14.328 5.392 ( -6.674 5.364 -13.953) 16.371 6.092 ( -9.112 2.557 13.921) 16.833 6.335 ( -10.811 -1.353 10.282) 14.981 9.921 ( 3.617 31.362 0.940) 31.584 11.143 ( 1.691 -4.485 4.835) 6.808 13.133 ( 0.529 20.660 0.865) 20.685 13.733 ( 24.671 10.888 0.263) 26.968 14.608 ( -0.569 -0.991 -0.113) 1.148 15.059 ( 13.784 -9.570 -1.344) 16.834 43.829 ( -0.020 -13.029 -2.347) 13.239 43.870 ( 0.489 -12.763 -1.780) 12.896 97.671 ( -0.091 1.663 0.571) 1.761 97.680 ( -0.294 1.404 0.433) 1.498 99.953 ( -0.330 0.153 -0.171) 0.402 99.968 ( -0.288 -0.286 0.151) 0.433 ======================= Grid point 200 (100/315) ======================= q-point: ( 0.18 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -0.835 8.623 -0.426) 8.674 1.589 ( -5.846 10.954 4.255) 13.125 1.828 ( -4.507 -3.346 -0.624) 5.648 2.157 ( -3.427 -7.325 0.570) 8.107 2.352 ( -1.902 7.489 -0.585) 7.749 2.431 ( -2.885 5.198 -1.257) 6.076 3.513 ( 6.043 2.547 -0.867) 6.615 3.812 ( 10.956 -5.146 2.637) 12.389 5.105 ( -11.065 6.414 -12.487) 17.875 5.191 ( -8.784 2.229 -10.616) 13.958 5.942 ( -10.513 0.510 9.039) 13.874 6.127 ( -13.134 -3.548 11.430) 17.769 9.992 ( 3.149 32.171 1.289) 32.351 11.174 ( -0.085 -3.377 3.847) 5.119 13.254 ( 11.023 23.839 2.587) 26.391 14.223 ( 25.032 6.103 0.535) 25.771 14.634 ( 3.739 5.872 -0.470) 6.977 15.369 ( 19.181 -8.682 -2.497) 21.202 43.823 ( 0.144 -12.496 -2.291) 12.705 43.874 ( 0.446 -12.724 -1.842) 12.864 97.670 ( -0.243 1.606 0.622) 1.740 97.675 ( -0.323 1.429 0.373) 1.512 99.944 ( -0.523 0.134 -0.157) 0.563 99.962 ( -0.433 -0.384 0.140) 0.595 ======================= Grid point 201 (101/315) ======================= q-point: ( 0.27 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -0.357 5.357 1.741) 5.644 1.518 ( -2.135 9.670 3.933) 10.655 1.731 ( -5.533 -4.147 -0.354) 6.923 2.073 ( -6.038 -7.805 4.064) 10.672 2.319 ( -0.966 6.234 -2.814) 6.908 2.373 ( -2.696 4.789 -1.089) 5.603 3.630 ( 6.526 -0.014 -0.654) 6.558 4.012 ( 8.764 -9.328 2.619) 13.064 4.816 ( -14.564 5.588 -7.874) 17.474 4.995 ( -9.330 -0.386 -8.915) 12.911 5.763 ( -10.145 0.761 6.135) 11.880 5.955 ( -8.523 -5.133 9.674) 13.877 10.042 ( 1.660 32.106 1.413) 32.180 11.165 ( -1.839 -2.422 2.675) 4.050 13.525 ( 15.565 25.496 2.520) 29.978 14.575 ( 9.575 -8.742 2.402) 13.186 14.779 ( 12.781 26.993 -2.748) 29.992 15.751 ( 21.782 -9.100 -4.346) 24.003 43.821 ( 0.339 -11.895 -2.140) 12.090 43.876 ( 0.395 -12.458 -1.859) 12.602 97.666 ( -0.352 1.569 0.538) 1.695 97.670 ( -0.258 1.404 0.422) 1.488 99.933 ( -0.539 0.091 -0.100) 0.556 99.954 ( -0.451 -0.513 0.122) 0.694 ======================= Grid point 202 (102/315) ======================= q-point: ( 0.36 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -0.406 2.363 3.725) 4.430 1.535 ( 1.284 3.020 -0.988) 3.427 1.630 ( -3.936 -1.678 2.625) 5.020 1.964 ( -6.938 -6.137 5.510) 10.777 2.301 ( 0.125 4.784 -2.178) 5.258 2.329 ( -1.702 4.489 -0.186) 4.804 3.760 ( 7.505 -3.540 0.166) 8.300 4.135 ( 2.665 -14.137 2.217) 14.556 4.553 ( -10.082 6.108 -4.051) 12.465 4.794 ( -8.648 -1.807 -5.498) 10.406 5.624 ( -6.147 1.730 4.381) 7.744 5.854 ( -5.176 -5.776 6.821) 10.328 10.066 ( 0.569 31.642 1.387) 31.677 11.131 ( -2.200 -1.761 1.794) 3.340 13.811 ( 13.042 25.042 1.022) 28.253 14.676 ( 2.429 -6.810 1.538) 7.392 14.991 ( 8.633 32.634 -2.917) 33.882 16.123 ( 18.120 -9.927 -5.959) 21.503 43.822 ( 0.485 -11.373 -1.928) 11.546 43.877 ( 0.358 -12.101 -1.830) 12.244 97.661 ( -0.272 1.535 0.444) 1.621 97.667 ( -0.241 1.364 0.464) 1.461 99.924 ( -0.376 0.034 -0.010) 0.378 99.946 ( -0.343 -0.628 0.097) 0.722 ======================= Grid point 203 (103/315) ======================= q-point: ( 0.45 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 1.322 -1.696 1.984) 2.926 1.463 ( -4.848 -4.022 -2.163) 6.660 1.671 ( 3.832 3.706 3.962) 6.641 1.850 ( -6.782 -2.865 5.474) 9.174 2.305 ( -0.125 4.285 0.211) 4.292 2.324 ( 1.994 3.397 0.935) 4.048 3.911 ( 7.844 -7.632 0.441) 10.953 4.096 ( -6.665 -13.726 1.740) 15.358 4.452 ( 0.065 4.889 -1.851) 5.227 4.676 ( -1.639 -2.266 -1.535) 3.190 5.553 ( -2.955 2.208 2.974) 4.738 5.801 ( -2.454 -6.079 5.354) 8.464 10.073 ( -0.257 31.291 1.194) 31.314 11.101 ( -1.392 -1.449 1.130) 2.305 13.987 ( 4.745 23.395 -0.676) 23.881 14.694 ( -0.764 -4.567 0.399) 4.648 15.077 ( 1.884 35.861 -3.720) 36.103 16.354 ( 7.632 -10.511 -6.738) 14.633 43.826 ( 0.537 -11.074 -1.697) 11.216 43.878 ( 0.328 -11.793 -1.794) 11.933 97.659 ( -0.114 1.492 0.408) 1.551 97.664 ( -0.196 1.347 0.450) 1.434 99.920 ( -0.091 -0.017 0.086) 0.126 99.942 ( -0.144 -0.683 0.071) 0.702 ======================= Grid point 204 (104/315) ======================= q-point: (-0.45 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -4.027 -0.661 -1.503) 4.349 1.498 ( 4.802 -4.475 1.571) 6.749 1.693 ( -4.960 2.595 4.560) 7.221 1.793 ( 1.443 -0.717 2.349) 2.849 2.316 ( 1.276 5.115 0.645) 5.311 2.385 ( 3.275 1.901 3.243) 4.986 3.935 ( -7.074 -7.939 1.552) 10.746 4.053 ( 3.156 -10.937 -0.397) 11.390 4.510 ( 6.650 4.305 1.062) 7.992 4.748 ( 9.430 -4.607 0.091) 10.496 5.523 ( -1.234 2.608 2.422) 3.767 5.796 ( 0.133 -6.468 5.356) 8.399 10.064 ( -1.040 31.305 0.821) 31.333 11.089 ( -0.168 -1.538 0.597) 1.658 13.967 ( -6.547 22.810 -1.406) 23.773 14.654 ( -3.217 -4.400 -1.172) 5.575 15.051 ( -3.045 35.873 -4.835) 36.326 16.353 ( -5.518 -10.757 -6.718) 13.831 43.831 ( 0.505 -11.076 -1.495) 11.188 43.878 ( 0.291 -11.643 -1.791) 11.784 97.659 ( 0.024 1.459 0.433) 1.522 97.663 ( -0.085 1.357 0.390) 1.414 99.922 ( 0.222 -0.044 0.155) 0.274 99.942 ( 0.091 -0.661 0.056) 0.669 ======================= Grid point 205 (105/315) ======================= q-point: (-0.36 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 0.449 4.724 -0.035) 4.746 1.550 ( -3.793 3.286 4.304) 6.611 1.648 ( 3.815 -3.764 0.887) 5.432 1.845 ( 3.023 -3.101 -0.225) 4.337 2.359 ( 3.006 5.927 0.757) 6.689 2.449 ( 1.942 2.243 3.887) 4.890 3.811 ( -6.402 -3.842 2.262) 7.801 4.044 ( -3.673 -8.669 -1.720) 9.571 4.724 ( 14.504 5.160 2.775) 15.643 5.013 ( 18.244 -7.140 -0.586) 19.600 5.517 ( -0.288 3.305 2.926) 4.424 5.838 ( 2.188 -7.056 7.021) 10.192 10.040 ( -1.741 31.652 0.305) 31.702 11.095 ( 0.555 -1.966 0.226) 2.055 13.750 ( -14.959 23.601 -1.186) 27.967 14.565 ( -5.702 -6.006 -3.042) 8.823 14.932 ( -7.882 32.034 -5.316) 33.415 16.118 ( -16.462 -10.588 -6.028) 20.481 43.836 ( 0.448 -11.379 -1.369) 11.470 43.877 ( 0.222 -11.694 -1.843) 11.841 97.661 ( -0.016 1.507 0.450) 1.573 97.665 ( 0.179 1.331 0.366) 1.392 99.929 ( 0.457 -0.032 0.165) 0.487 99.946 ( 0.304 -0.573 0.065) 0.652 ======================= Grid point 206 (106/315) ======================= q-point: (-0.27 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 4.819 9.086 1.063) 10.339 1.476 ( -3.605 7.994 3.331) 9.381 1.757 ( 5.951 -4.774 0.523) 7.647 1.907 ( 4.187 -5.716 -2.719) 7.589 2.429 ( 3.857 6.257 0.993) 7.417 2.476 ( -0.288 4.111 3.434) 5.364 3.696 ( -6.797 -0.491 1.577) 6.994 3.929 ( -7.546 -5.395 -0.586) 9.295 5.026 ( 16.144 8.003 -0.861) 18.039 5.391 ( 19.098 -6.730 -8.282) 21.877 5.547 ( 4.204 3.118 11.085) 12.258 5.922 ( 3.748 -7.212 10.755) 13.480 10.000 ( -2.470 31.937 -0.220) 32.034 11.104 ( 0.130 -2.617 0.194) 2.628 13.442 ( -16.066 23.525 -0.536) 28.493 14.396 ( -12.094 -4.051 -5.379) 13.842 14.741 ( -9.411 22.368 -3.802) 24.563 15.736 ( -20.947 -9.989 -4.852) 23.709 43.840 ( 0.417 -11.930 -1.359) 12.014 43.874 ( 0.121 -11.881 -1.934) 12.038 97.662 ( 0.028 1.597 0.401) 1.646 97.671 ( 0.269 1.298 0.437) 1.396 99.939 ( 0.536 0.017 0.097) 0.544 99.953 ( 0.436 -0.456 0.113) 0.641 ======================= Grid point 207 (107/315) ======================= q-point: (-0.18 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -0.005 10.667 1.415) 10.761 1.498 ( 6.718 10.548 1.338) 12.577 1.858 ( 4.345 -3.331 0.672) 5.516 1.989 ( 5.713 -6.787 -5.027) 10.197 2.457 ( -2.242 7.142 3.379) 8.213 2.507 ( 3.411 5.717 0.984) 6.729 3.563 ( -7.323 2.164 0.298) 7.642 3.768 ( -9.440 -2.953 1.274) 9.973 5.297 ( 13.206 10.206 -7.497) 18.296 5.486 ( 1.033 3.147 -7.995) 8.654 5.886 ( 18.750 -4.075 10.629) 21.935 6.050 ( 5.856 -4.760 15.470) 17.213 9.945 ( -3.187 31.558 -0.529) 31.723 11.097 ( -0.953 -3.509 0.929) 3.753 13.191 ( -9.288 21.622 0.231) 23.534 14.050 ( -21.535 5.729 -6.321) 23.163 14.607 ( -3.521 6.430 -1.699) 7.525 15.341 ( -18.639 -9.429 -3.601) 21.196 43.843 ( 0.382 -12.659 -1.504) 12.754 43.870 ( 0.062 -12.042 -1.994) 12.206 97.664 ( 0.076 1.680 0.395) 1.727 97.677 ( 0.217 1.285 0.490) 1.392 99.948 ( 0.456 0.080 -0.013) 0.463 99.962 ( 0.417 -0.349 0.169) 0.569 ======================= Grid point 208 (108/315) ======================= q-point: (-0.09 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 0.535 12.394 -0.145) 12.407 1.636 ( 6.282 9.726 0.731) 11.601 1.920 ( 2.008 -2.037 0.244) 2.871 2.087 ( 6.348 -6.902 -6.203) 11.244 2.416 ( -2.855 10.236 3.172) 11.090 2.559 ( 1.231 5.225 1.536) 5.584 3.446 ( -4.398 3.466 0.324) 5.609 3.594 ( -8.760 -0.727 1.888) 8.991 5.446 ( 2.378 5.096 -11.488) 12.790 5.473 ( 3.919 8.363 -9.928) 13.560 6.135 ( 3.481 -0.417 16.785) 17.147 6.275 ( 10.955 -0.749 10.818) 15.414 9.887 ( -2.389 30.572 -0.371) 30.667 11.083 ( -0.756 -4.584 2.696) 5.371 13.125 ( 2.403 18.637 0.585) 18.800 13.616 ( -20.689 11.579 -4.483) 24.129 14.590 ( 1.753 -1.034 -0.855) 2.208 15.032 ( -12.461 -9.847 -2.420) 16.065 43.843 ( 0.182 -13.336 -1.882) 13.470 43.866 ( 0.219 -12.136 -1.874) 12.282 97.667 ( 0.077 1.722 0.432) 1.777 97.681 ( 0.064 1.303 0.507) 1.400 99.955 ( 0.256 0.128 -0.099) 0.302 99.969 ( 0.230 -0.274 0.182) 0.401 ======================= Grid point 209 (109/315) ======================= q-point: ( 0.00 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -0.572 10.423 -3.234) 10.928 1.813 ( -0.363 -2.327 -3.269) 4.029 1.911 ( 1.641 3.261 0.880) 3.755 2.030 ( 3.566 -7.200 -1.753) 8.223 2.557 ( -1.561 5.736 1.655) 6.170 2.609 ( -2.139 0.311 1.731) 2.769 3.466 ( -0.618 2.444 1.204) 2.794 3.498 ( -0.270 -0.876 1.441) 1.708 5.475 ( -1.997 4.038 -12.480) 13.268 5.536 ( -1.026 -1.555 -14.712) 14.829 6.283 ( -2.872 6.113 16.109) 17.467 6.382 ( -1.352 -3.551 12.925) 13.472 10.433 ( 1.233 26.361 1.954) 26.462 10.871 ( 1.252 -17.632 3.513) 18.022 13.485 ( -0.091 9.858 -0.624) 9.878 13.554 ( 3.886 3.206 -0.334) 5.049 14.619 ( 0.782 1.653 -0.602) 1.925 14.711 ( 1.176 -7.768 -1.014) 7.922 43.667 ( 0.119 -3.859 -2.321) 4.505 43.686 ( 0.254 -5.535 -2.175) 5.952 97.695 ( -0.023 0.782 0.488) 0.922 97.699 ( -0.077 0.335 0.487) 0.596 99.961 ( -0.034 0.231 -0.052) 0.239 99.966 ( -0.038 -0.277 0.076) 0.290 ======================= Grid point 210 (110/315) ======================= q-point: ( 0.09 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -2.712 9.419 -3.437) 10.386 1.765 ( -3.287 -3.959 -3.566) 6.260 1.910 ( -2.421 6.060 2.783) 7.094 2.053 ( -0.995 -7.633 0.652) 7.725 2.520 ( -2.642 4.606 0.249) 5.315 2.556 ( -3.373 0.864 0.123) 3.484 3.498 ( 3.667 3.785 0.680) 5.313 3.564 ( 5.937 -2.880 1.478) 6.762 5.369 ( -5.061 3.705 -13.550) 14.931 5.423 ( -6.129 -1.365 -15.191) 16.438 6.181 ( -11.859 5.598 14.700) 19.700 6.281 ( -12.443 -4.160 12.580) 18.177 10.495 ( 3.810 26.503 2.591) 26.901 10.928 ( 2.915 -17.152 4.037) 17.860 13.510 ( 5.332 17.098 1.264) 17.955 13.762 ( 14.693 -7.293 1.070) 16.438 14.684 ( 7.776 8.025 -0.679) 11.194 14.868 ( 13.770 -9.909 -1.072) 16.998 43.663 ( 0.349 -3.672 -2.443) 4.424 43.685 ( 0.470 -5.685 -2.249) 6.132 97.695 ( -0.159 0.714 0.527) 0.902 97.698 ( -0.235 0.404 0.481) 0.671 99.957 ( -0.344 0.247 -0.072) 0.429 99.962 ( -0.333 -0.307 0.058) 0.457 ======================= Grid point 211 (111/315) ======================= q-point: ( 0.18 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -3.098 7.844 -2.659) 8.843 1.681 ( -4.233 -3.849 -2.997) 6.458 1.843 ( -5.602 7.219 4.914) 10.375 2.003 ( -4.664 -8.220 3.384) 10.038 2.464 ( -2.844 3.710 -1.357) 4.868 2.492 ( -3.140 0.908 -1.512) 3.602 3.589 ( 5.198 5.026 0.187) 7.233 3.700 ( 7.258 -6.028 1.405) 9.539 5.189 ( -10.316 2.466 -13.166) 16.906 5.212 ( -10.625 -0.042 -12.346) 16.288 5.981 ( -12.705 3.204 12.030) 17.788 6.054 ( -14.082 -3.903 12.080) 18.960 10.567 ( 2.606 25.949 2.376) 26.187 10.983 ( 1.258 -15.982 3.362) 16.380 13.697 ( 13.058 21.058 2.818) 24.937 14.062 ( 15.416 -15.733 2.456) 22.163 14.914 ( 16.418 15.943 -1.972) 22.969 15.180 ( 19.064 -11.199 -2.196) 22.219 43.665 ( 0.595 -3.442 -2.425) 4.252 43.689 ( 0.637 -5.706 -2.259) 6.169 97.692 ( -0.284 0.639 0.546) 0.887 97.694 ( -0.319 0.468 0.459) 0.729 99.948 ( -0.547 0.263 -0.067) 0.611 99.954 ( -0.520 -0.368 0.050) 0.639 ======================= Grid point 212 (112/315) ======================= q-point: ( 0.27 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -2.914 5.630 -0.926) 6.407 1.593 ( -4.167 -3.725 -2.452) 6.103 1.750 ( -5.276 7.716 5.963) 11.087 1.914 ( -5.619 -8.360 5.019) 11.254 2.410 ( -2.185 2.972 -2.123) 4.256 2.431 ( -2.699 0.952 -1.624) 3.291 3.681 ( 4.331 5.254 0.276) 6.815 3.825 ( 5.129 -9.054 1.394) 10.498 4.910 ( -13.815 3.946 -8.197) 16.541 4.970 ( -11.698 -2.145 -8.469) 14.601 5.799 ( -9.647 2.744 8.255) 12.989 5.866 ( -9.206 -4.037 9.043) 13.521 10.604 ( 0.694 24.871 1.941) 24.956 10.995 ( -0.710 -14.705 2.462) 14.926 13.978 ( 14.650 20.647 2.732) 25.464 14.329 ( 11.545 -15.256 2.633) 19.312 15.245 ( 18.100 19.463 -3.176) 26.768 15.549 ( 20.397 -12.200 -3.723) 24.057 43.670 ( 0.761 -3.247 -2.291) 4.046 43.695 ( 0.719 -5.586 -2.185) 6.041 97.687 ( -0.352 0.627 0.499) 0.875 97.689 ( -0.312 0.458 0.468) 0.726 99.937 ( -0.574 0.277 -0.035) 0.638 99.944 ( -0.546 -0.444 0.051) 0.706 ======================= Grid point 213 (113/315) ======================= q-point: ( 0.36 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -3.445 3.013 1.243) 4.742 1.500 ( -5.178 -3.694 -1.487) 6.532 1.709 ( -0.692 6.513 5.316) 8.435 1.839 ( -3.880 -6.558 5.231) 9.243 2.373 ( -0.994 2.348 -1.353) 2.887 2.386 ( -1.519 1.175 -0.750) 2.062 3.754 ( 3.373 3.321 0.845) 4.808 3.890 ( 1.082 -10.259 1.408) 10.411 4.663 ( -9.529 4.928 -3.824) 11.389 4.744 ( -9.228 -3.350 -4.239) 10.694 5.676 ( -5.683 3.393 5.224) 8.432 5.754 ( -5.372 -4.538 5.797) 9.114 10.612 ( -0.277 23.732 1.547) 23.784 10.980 ( -1.395 -13.567 1.740) 13.749 14.228 ( 10.356 17.598 1.328) 20.462 14.505 ( 6.331 -11.070 1.535) 12.844 15.533 ( 12.726 22.714 -3.959) 26.335 15.891 ( 16.237 -14.462 -5.054) 22.324 43.678 ( 0.779 -3.126 -2.085) 3.837 43.702 ( 0.692 -5.387 -2.045) 5.804 97.683 ( -0.290 0.641 0.445) 0.833 97.685 ( -0.274 0.417 0.461) 0.679 99.927 ( -0.417 0.276 0.018) 0.500 99.935 ( -0.407 -0.504 0.058) 0.650 ======================= Grid point 214 (114/315) ======================= q-point: ( 0.45 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -1.882 -0.094 1.476) 2.394 1.404 ( -3.578 -1.991 -0.001) 4.095 1.739 ( 1.315 3.157 4.558) 5.698 1.795 ( -2.760 -2.740 4.969) 6.310 2.367 ( 0.467 1.891 0.146) 1.953 2.374 ( 0.554 1.290 0.363) 1.450 3.818 ( 3.002 -1.159 1.326) 3.481 3.880 ( -2.150 -7.495 1.621) 7.964 4.548 ( -1.654 4.487 -1.327) 4.963 4.623 ( -2.078 -3.241 -1.229) 4.042 5.612 ( -2.732 3.708 3.467) 5.765 5.695 ( -2.547 -4.814 4.102) 6.818 10.607 ( -0.616 22.964 1.150) 23.001 10.960 ( -1.101 -12.842 1.141) 12.939 14.357 ( 2.826 14.678 -0.377) 14.953 14.575 ( 0.801 -8.108 0.011) 8.148 15.683 ( 4.367 25.908 -4.777) 26.705 16.095 ( 6.494 -16.615 -5.867) 18.779 43.686 ( 0.641 -3.092 -1.865) 3.668 43.707 ( 0.556 -5.200 -1.891) 5.561 97.680 ( -0.155 0.626 0.411) 0.765 97.682 ( -0.184 0.410 0.430) 0.622 99.922 ( -0.128 0.256 0.075) 0.295 99.930 ( -0.147 -0.522 0.068) 0.547 ======================= Grid point 215 (115/315) ======================= q-point: (-0.45 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 0.051 1.973 0.335) 2.002 1.414 ( 3.048 -3.813 1.262) 5.042 1.741 ( -3.390 2.201 4.420) 5.989 1.776 ( -0.293 -1.264 3.433) 3.670 2.391 ( 1.986 2.444 1.082) 3.330 2.410 ( 2.677 0.372 1.926) 3.319 3.831 ( -2.468 -1.787 1.865) 3.572 3.876 ( 1.525 -6.216 1.440) 6.561 4.595 ( 6.967 4.174 0.495) 8.136 4.672 ( 7.519 -3.709 0.151) 8.386 5.590 ( -0.732 4.128 2.948) 5.125 5.682 ( -0.221 -5.250 3.819) 6.496 10.597 ( -0.779 22.861 0.725) 22.885 10.948 ( -0.471 -12.779 0.622) 12.803 14.326 ( -5.700 14.199 -1.564) 15.380 14.537 ( -4.450 -7.878 -1.474) 9.167 15.664 ( -4.548 26.434 -5.543) 27.390 16.086 ( -5.354 -17.099 -6.165) 18.949 43.690 ( 0.402 -3.146 -1.690) 3.593 43.710 ( 0.345 -5.094 -1.781) 5.408 97.680 ( -0.003 0.582 0.403) 0.708 97.681 ( -0.054 0.446 0.390) 0.595 99.923 ( 0.201 0.219 0.117) 0.319 99.930 ( 0.152 -0.486 0.078) 0.515 ======================= Grid point 216 (116/315) ======================= q-point: (-0.36 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 4.647 5.373 0.689) 7.137 1.508 ( 6.165 -5.112 0.856) 8.054 1.683 ( -3.365 4.739 3.086) 6.581 1.774 ( -0.505 -4.262 1.562) 4.567 2.447 ( 3.276 2.972 1.672) 4.729 2.474 ( 2.981 0.101 2.744) 4.053 3.788 ( -2.957 1.801 2.148) 4.075 3.880 ( -1.801 -7.233 0.908) 7.509 4.816 ( 15.719 4.394 1.475) 16.388 4.903 ( 16.556 -4.702 -0.008) 17.211 5.600 ( 0.624 4.995 3.773) 6.291 5.709 ( 1.598 -6.119 5.140) 8.150 10.581 ( -1.069 23.430 0.301) 23.456 10.944 ( -0.172 -13.362 0.228) 13.366 14.142 ( -12.767 16.448 -2.013) 20.919 14.402 ( -9.089 -10.514 -2.587) 14.136 15.485 ( -12.134 23.861 -5.881) 27.408 15.868 ( -15.145 -15.642 -5.917) 22.562 43.690 ( 0.158 -3.283 -1.611) 3.661 43.709 ( 0.119 -5.087 -1.758) 5.384 97.682 ( 0.066 0.580 0.406) 0.712 97.683 ( 0.133 0.455 0.373) 0.603 99.930 ( 0.462 0.178 0.127) 0.511 99.936 ( 0.404 -0.409 0.087) 0.581 ======================= Grid point 217 (117/315) ======================= q-point: (-0.27 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 6.852 7.349 0.983) 10.096 1.617 ( 2.723 3.120 0.666) 4.194 1.670 ( 3.542 -1.149 1.258) 3.931 1.783 ( 1.677 -6.876 -0.781) 7.120 2.517 ( 3.321 2.642 1.877) 4.641 2.531 ( 1.959 1.188 2.641) 3.496 3.723 ( -4.702 3.274 1.768) 5.996 3.815 ( -5.183 -5.733 0.968) 7.789 5.157 ( 18.984 5.682 -2.262) 19.945 5.265 ( 20.665 -5.788 -4.031) 21.835 5.646 ( 3.151 6.328 8.891) 11.359 5.780 ( 3.965 -7.178 9.623) 12.643 10.555 ( -1.919 24.350 -0.031) 24.425 10.937 ( -0.830 -14.332 0.083) 14.356 13.861 ( -15.363 19.099 -1.820) 24.579 14.186 ( -12.551 -14.152 -3.118) 19.171 15.190 ( -16.504 20.120 -5.342) 26.566 15.513 ( -19.478 -13.373 -5.100) 24.171 43.686 ( -0.006 -3.497 -1.656) 3.870 43.704 ( -0.046 -5.144 -1.828) 5.460 97.685 ( 0.131 0.671 0.393) 0.789 97.688 ( 0.221 0.383 0.409) 0.603 99.940 ( 0.569 0.159 0.094) 0.598 99.945 ( 0.534 -0.331 0.102) 0.636 ======================= Grid point 218 (118/315) ======================= q-point: (-0.18 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 2.613 9.133 0.203) 9.502 1.678 ( 6.332 7.801 -0.594) 10.065 1.775 ( 4.987 -5.198 1.104) 7.287 1.840 ( 5.104 -8.034 -3.122) 10.017 2.562 ( 0.601 3.278 2.569) 4.208 2.580 ( 2.462 1.459 1.786) 3.373 3.621 ( -6.314 3.696 1.144) 7.405 3.699 ( -7.304 -3.965 1.414) 8.430 5.445 ( 11.958 5.372 -11.023) 17.128 5.513 ( 6.963 -1.206 -12.505) 14.364 5.866 ( 15.255 2.440 17.936) 23.672 5.951 ( 10.420 -5.254 16.871) 20.514 10.506 ( -3.222 25.206 -0.021) 25.411 10.909 ( -2.162 -15.528 0.513) 15.686 13.594 ( -11.279 19.178 -1.196) 22.281 13.924 ( -13.679 -13.856 -3.118) 19.718 14.869 ( -14.680 15.534 -3.710) 21.693 15.138 ( -17.992 -11.779 -3.837) 21.844 43.680 ( -0.060 -3.740 -1.826) 4.162 43.697 ( -0.083 -5.228 -1.953) 5.581 97.689 ( 0.147 0.759 0.409) 0.874 97.693 ( 0.201 0.322 0.445) 0.585 99.951 ( 0.497 0.177 0.035) 0.529 99.955 ( 0.490 -0.286 0.112) 0.578 ======================= Grid point 219 (119/315) ======================= q-point: (-0.09 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 1.735 10.576 -2.079) 10.917 1.787 ( 4.280 3.952 -1.550) 6.029 1.855 ( 3.626 -3.161 0.232) 4.816 1.942 ( 6.058 -7.143 -3.002) 9.835 2.570 ( -0.524 5.241 2.387) 5.783 2.617 ( 0.636 0.405 1.976) 2.115 3.513 ( -4.815 3.210 1.041) 5.880 3.566 ( -6.508 -2.128 1.577) 7.027 5.522 ( 1.323 3.248 -11.763) 12.274 5.558 ( 3.325 0.364 -13.701) 14.103 6.169 ( 8.902 3.420 18.055) 20.418 6.238 ( 11.369 -2.995 14.605) 18.749 10.445 ( -2.669 25.853 0.716) 26.001 10.870 ( -1.844 -16.872 1.866) 17.074 13.462 ( -1.993 15.092 -0.610) 15.235 13.675 ( -11.024 -5.286 -2.469) 12.472 14.657 ( -6.113 7.510 -1.718) 9.834 14.838 ( -12.092 -9.987 -2.291) 15.850 43.673 ( -0.020 -3.895 -2.083) 4.416 43.690 ( 0.037 -5.354 -2.074) 5.741 97.692 ( 0.091 0.800 0.444) 0.920 97.697 ( 0.090 0.302 0.474) 0.569 99.958 ( 0.277 0.209 -0.016) 0.348 99.963 ( 0.273 -0.272 0.099) 0.398 ======================= Grid point 286 (120/315) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.994 0.000 13.575) 13.611 0.657 ( 1.348 0.000 14.779) 14.841 1.197 ( -1.128 0.000 26.408) 26.432 1.451 ( 0.081 0.000 -5.933) 5.934 1.796 ( -2.192 0.000 -4.546) 5.047 2.777 ( -8.402 0.000 1.713) 8.575 3.106 ( -0.061 0.000 3.745) 3.746 3.165 ( -11.536 0.000 0.553) 11.550 3.486 ( 7.706 0.000 0.465) 7.720 3.608 ( 0.065 0.000 -2.466) 2.467 6.178 ( -4.997 0.000 -4.684) 6.850 7.048 ( 1.608 0.000 2.643) 3.094 7.530 ( -1.351 0.000 3.753) 3.989 10.100 ( -1.007 0.000 -2.302) 2.513 11.789 ( -2.210 0.000 -0.634) 2.299 11.877 ( 1.966 0.000 0.599) 2.055 14.953 ( 6.701 0.000 -0.874) 6.757 15.505 ( -0.689 0.000 -2.623) 2.712 44.967 ( 0.821 0.000 0.904) 1.221 45.490 ( 1.023 0.000 -2.344) 2.558 97.537 ( -0.051 0.000 0.522) 0.524 97.564 ( -0.515 0.000 0.404) 0.655 99.931 ( -0.130 0.000 0.223) 0.258 99.975 ( -0.043 0.000 -0.205) 0.209 ======================= Grid point 287 (121/315) ======================= q-point: ( 0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 10.592 0.000 10.227) 14.724 0.828 ( 8.940 0.000 15.979) 18.310 1.299 ( 4.284 0.000 16.583) 17.128 1.451 ( 1.773 0.000 -5.797) 6.062 1.881 ( 10.916 0.000 -1.011) 10.963 2.596 ( -4.524 0.000 -1.268) 4.698 3.159 ( 4.245 0.000 3.686) 5.622 3.441 ( 30.009 0.000 -7.948) 31.043 3.631 ( 3.089 0.000 -2.496) 3.972 3.854 ( 25.770 0.000 2.215) 25.865 6.099 ( -2.383 0.000 -3.760) 4.452 7.074 ( 0.236 0.000 2.376) 2.387 7.418 ( -10.233 0.000 7.237) 12.533 10.071 ( -1.180 0.000 -2.088) 2.399 11.717 ( -5.149 0.000 -0.911) 5.229 11.898 ( 0.108 0.000 0.873) 0.879 15.187 ( 9.630 0.000 -8.004) 12.522 15.599 ( 15.404 0.000 -6.073) 16.558 44.982 ( 0.419 0.000 0.862) 0.958 45.455 ( -3.551 0.000 -2.267) 4.213 97.535 ( -0.290 0.000 0.519) 0.594 97.550 ( -0.944 0.000 0.908) 1.310 99.930 ( -0.028 0.000 0.217) 0.218 99.975 ( 0.083 0.000 -0.164) 0.184 ======================= Grid point 288 (122/315) ======================= q-point: ( 0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 11.169 0.000 5.856) 12.611 1.012 ( 4.602 0.000 16.304) 16.941 1.478 ( 2.671 0.000 -4.498) 5.232 1.498 ( 13.795 0.000 3.290) 14.182 2.107 ( 9.689 0.000 3.536) 10.314 2.565 ( 1.651 0.000 -2.560) 3.046 3.283 ( 7.430 0.000 3.335) 8.144 3.707 ( 5.723 0.000 -2.356) 6.189 3.966 ( 26.853 0.000 -14.739) 30.632 4.413 ( 31.193 0.000 2.417) 31.286 6.046 ( -2.715 0.000 -1.579) 3.141 7.071 ( -1.142 0.000 1.535) 1.913 7.240 ( -10.576 0.000 8.367) 13.486 10.045 ( -0.936 0.000 -1.553) 1.813 11.594 ( -7.404 0.000 -1.010) 7.473 11.891 ( -1.167 0.000 1.103) 1.605 15.196 ( -3.226 0.000 -4.072) 5.195 15.981 ( 23.867 0.000 -12.532) 26.957 44.989 ( 0.098 0.000 0.544) 0.553 45.358 ( -5.602 0.000 -1.891) 5.912 97.530 ( -0.367 0.000 0.573) 0.680 97.539 ( -0.514 0.000 1.031) 1.152 99.931 ( 0.063 0.000 0.202) 0.212 99.977 ( 0.190 0.000 -0.055) 0.198 ======================= Grid point 289 (123/315) ======================= q-point: ( 0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 5.806 0.000 10.079) 11.631 1.179 ( 8.279 0.000 2.342) 8.604 1.517 ( 2.421 0.000 -2.462) 3.453 1.799 ( 16.120 0.000 0.570) 16.130 2.188 ( -1.755 0.000 0.982) 2.011 2.656 ( 6.970 0.000 2.733) 7.486 3.446 ( 8.391 0.000 2.830) 8.855 3.823 ( 7.000 0.000 -1.999) 7.280 4.356 ( 19.613 0.000 -13.329) 23.713 4.985 ( 28.106 0.000 -0.901) 28.121 5.980 ( -4.361 0.000 2.646) 5.101 7.042 ( -2.195 0.000 0.273) 2.212 7.083 ( -8.725 0.000 8.132) 11.927 10.027 ( -0.474 0.000 -0.970) 1.080 11.445 ( -7.686 0.000 -0.687) 7.716 11.865 ( -1.857 0.000 1.135) 2.176 15.105 ( -4.742 0.000 -1.380) 4.939 16.355 ( 19.262 0.000 -11.998) 22.693 44.989 ( -0.191 0.000 -0.144) 0.239 45.244 ( -5.629 0.000 -1.646) 5.865 97.526 ( -0.257 0.000 0.705) 0.750 97.535 ( -0.265 0.000 0.836) 0.877 99.933 ( 0.119 0.000 0.185) 0.219 99.981 ( 0.239 0.000 0.086) 0.253 ======================= Grid point 290 (124/315) ======================= q-point: ( 0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 5.316 0.000 -0.006) 5.316 1.313 ( 10.029 0.000 4.573) 11.023 1.547 ( 1.105 0.000 -0.642) 1.278 2.054 ( 4.115 0.000 -2.094) 4.617 2.111 ( 0.361 0.000 2.154) 2.184 2.777 ( 3.233 0.000 5.858) 6.691 3.598 ( 6.454 0.000 2.344) 6.867 3.945 ( 6.060 0.000 -1.431) 6.227 4.624 ( 12.804 0.000 -11.774) 17.395 5.433 ( 19.626 0.000 -9.245) 21.694 5.924 ( -2.250 0.000 11.332) 11.553 6.963 ( -6.914 0.000 8.942) 11.303 6.993 ( -2.796 0.000 -1.102) 3.005 10.021 ( 0.073 0.000 -0.607) 0.611 11.317 ( -5.320 0.000 -0.098) 5.321 11.832 ( -1.929 0.000 1.093) 2.217 15.025 ( -3.307 0.000 0.132) 3.310 16.621 ( 12.575 0.000 -10.587) 16.438 44.979 ( -0.740 0.000 -1.270) 1.470 45.148 ( -3.745 0.000 -1.015) 3.880 97.526 ( -0.048 0.000 0.726) 0.728 97.533 ( -0.254 0.000 0.749) 0.791 99.936 ( 0.132 0.000 0.170) 0.216 99.986 ( 0.203 0.000 0.213) 0.295 ======================= Grid point 291 (125/315) ======================= q-point: ( 0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 3.353 0.000 -1.150) 3.545 1.543 ( 13.183 0.000 1.164) 13.234 1.547 ( -1.110 0.000 0.383) 1.174 1.900 ( -11.133 0.000 -0.736) 11.158 2.258 ( 5.897 0.000 0.794) 5.950 2.796 ( -3.579 0.000 7.444) 8.260 3.688 ( 1.956 0.000 1.995) 2.794 4.029 ( 2.959 0.000 -0.885) 3.088 4.755 ( 4.592 0.000 -11.463) 12.348 5.596 ( 2.421 0.000 -13.532) 13.747 6.047 ( 10.187 0.000 15.056) 18.178 6.874 ( -6.029 0.000 10.829) 12.394 6.934 ( -2.732 0.000 -2.043) 3.411 10.027 ( 0.788 0.000 -0.517) 0.942 11.256 ( -0.930 0.000 0.378) 1.004 11.803 ( -1.429 0.000 1.073) 1.787 14.987 ( -0.820 0.000 0.780) 1.132 16.758 ( 5.358 0.000 -9.925) 11.278 44.951 ( -1.444 0.000 -2.176) 2.611 45.106 ( -0.479 0.000 -0.399) 0.624 97.529 ( 0.070 0.000 0.669) 0.672 97.530 ( -0.259 0.000 0.779) 0.820 99.939 ( 0.101 0.000 0.163) 0.192 99.990 ( 0.094 0.000 0.288) 0.303 ======================= Grid point 292 (126/315) ======================= q-point: (-0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -0.944 0.000 -1.599) 1.857 1.519 ( -1.072 0.000 0.837) 1.360 1.657 ( -13.626 0.000 1.614) 13.721 1.814 ( 14.421 0.000 -2.088) 14.571 2.306 ( -1.162 0.000 0.321) 1.206 2.694 ( -9.600 0.000 8.976) 13.143 3.678 ( -3.576 0.000 1.869) 4.035 4.043 ( -1.366 0.000 -0.761) 1.564 4.716 ( -5.077 0.000 -11.513) 12.583 5.541 ( -3.177 0.000 -9.596) 10.109 6.302 ( 11.430 0.000 8.897) 14.484 6.800 ( -5.710 0.000 12.592) 13.826 6.885 ( -1.590 0.000 -2.014) 2.566 10.048 ( 1.568 0.000 -0.570) 1.669 11.285 ( 3.777 0.000 0.353) 3.793 11.787 ( -0.603 0.000 1.116) 1.269 14.998 ( 1.708 0.000 0.770) 1.873 16.764 ( -1.318 0.000 -10.089) 10.174 44.919 ( -1.059 0.000 -1.975) 2.241 45.122 ( 2.198 0.000 -0.587) 2.274 97.524 ( -0.448 0.000 0.732) 0.858 97.536 ( 0.313 0.000 0.721) 0.786 99.941 ( 0.029 0.000 0.163) 0.165 99.991 ( -0.050 0.000 0.288) 0.293 ======================= Grid point 293 (127/315) ======================= q-point: (-0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -7.966 0.000 0.049) 7.966 1.384 ( -15.522 0.000 3.661) 15.948 1.528 ( 1.128 0.000 -0.686) 1.320 2.081 ( 13.414 0.000 -4.363) 14.105 2.210 ( -9.020 0.000 2.945) 9.488 2.514 ( -11.534 0.000 8.960) 14.605 3.572 ( -7.950 0.000 2.025) 8.204 3.976 ( -5.167 0.000 -1.122) 5.288 4.489 ( -15.083 0.000 -10.835) 18.571 5.423 ( -6.285 0.000 -10.410) 12.160 6.509 ( 7.464 0.000 3.786) 8.370 6.749 ( -3.046 0.000 14.795) 15.105 6.868 ( 0.379 0.000 -1.051) 1.117 10.080 ( 1.878 0.000 -0.725) 2.013 11.392 ( 7.186 0.000 -0.172) 7.188 11.787 ( 0.184 0.000 1.232) 1.246 15.050 ( 3.473 0.000 0.055) 3.474 16.649 ( -7.211 0.000 -11.229) 13.345 44.903 ( -0.117 0.000 -1.260) 1.265 45.179 ( 3.953 0.000 -0.947) 4.065 97.518 ( -0.417 0.000 0.775) 0.880 97.545 ( 0.346 0.000 0.727) 0.805 99.941 ( -0.066 0.000 0.170) 0.182 99.990 ( -0.176 0.000 0.213) 0.276 ======================= Grid point 294 (128/315) ======================= q-point: (-0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -15.038 0.000 7.791) 16.936 1.134 ( -12.156 0.000 2.039) 12.325 1.537 ( 0.126 0.000 -2.127) 2.131 1.921 ( -19.313 0.000 5.131) 19.983 2.325 ( -3.913 0.000 1.934) 4.365 2.358 ( 6.828 0.000 1.447) 6.980 3.409 ( -9.514 0.000 2.440) 9.822 3.855 ( -6.647 0.000 -1.620) 6.841 4.096 ( -22.409 0.000 -9.142) 24.202 5.219 ( -11.887 0.000 -15.042) 19.171 6.550 ( -3.076 0.000 0.519) 3.120 6.848 ( 8.052 0.000 15.442) 17.416 6.891 ( 2.081 0.000 0.275) 2.099 10.109 ( 1.450 0.000 -1.074) 1.804 11.541 ( 8.418 0.000 -0.850) 8.461 11.799 ( 0.621 0.000 1.406) 1.537 15.119 ( 3.772 0.000 -1.706) 4.140 16.418 ( -13.433 0.000 -13.626) 19.134 44.906 ( 0.703 0.000 -0.439) 0.829 45.260 ( 4.795 0.000 -1.061) 4.911 97.515 ( -0.152 0.000 0.855) 0.869 97.553 ( 0.251 0.000 0.758) 0.799 99.939 ( -0.158 0.000 0.186) 0.244 99.986 ( -0.242 0.000 0.084) 0.256 ======================= Grid point 295 (129/315) ======================= q-point: (-0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -12.523 0.000 12.826) 17.926 0.889 ( -14.603 0.000 5.182) 15.495 1.518 ( -1.074 0.000 -3.613) 3.769 1.544 ( -21.826 0.000 11.414) 24.630 2.150 ( -10.633 0.000 1.791) 10.782 2.574 ( 11.020 0.000 -1.529) 11.126 3.248 ( -8.023 0.000 2.991) 8.562 3.638 ( -21.568 0.000 -6.881) 22.639 3.731 ( -5.533 0.000 -2.017) 5.889 4.837 ( -24.173 0.000 -21.831) 32.572 6.455 ( -6.245 0.000 -1.847) 6.513 6.942 ( 2.804 0.000 1.470) 3.166 7.101 ( 13.214 0.000 13.733) 19.058 10.124 ( 0.561 0.000 -1.601) 1.696 11.690 ( 7.385 0.000 -1.407) 7.518 11.816 ( 0.518 0.000 1.617) 1.698 15.163 ( 1.162 0.000 -5.067) 5.199 16.048 ( -20.797 0.000 -14.863) 25.562 44.924 ( 1.098 0.000 0.250) 1.126 45.349 ( 4.917 0.000 -0.796) 4.981 97.519 ( 0.341 0.000 0.900) 0.962 97.559 ( 0.128 0.000 0.808) 0.818 99.936 ( -0.212 0.000 0.205) 0.295 99.982 ( -0.231 0.000 -0.058) 0.238 ======================= Grid point 296 (130/315) ======================= q-point: (-0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -11.762 0.000 10.220) 15.582 0.712 ( -9.952 0.000 14.809) 17.842 1.244 ( -13.181 0.000 20.641) 24.491 1.481 ( -1.172 0.000 -5.031) 5.165 1.946 ( -10.438 0.000 -1.900) 10.609 2.746 ( 6.595 0.000 1.113) 6.688 3.138 ( -4.476 0.000 3.483) 5.671 3.324 ( -7.520 0.000 -5.502) 9.318 3.643 ( -2.940 0.000 -2.297) 3.731 4.102 ( -46.598 0.000 -19.758) 50.614 6.313 ( -7.264 0.000 -4.334) 8.459 7.000 ( 2.566 0.000 2.308) 3.452 7.396 ( 12.507 0.000 7.982) 14.837 10.120 ( -0.370 0.000 -2.097) 2.130 11.796 ( 3.326 0.000 -2.068) 3.916 11.830 ( 1.152 0.000 2.107) 2.402 15.070 ( -10.208 0.000 -7.446) 12.635 15.634 ( -14.400 0.000 -5.983) 15.593 44.946 ( 1.079 0.000 0.701) 1.287 45.437 ( 4.438 0.000 -0.970) 4.542 97.531 ( 0.501 0.000 0.657) 0.826 97.564 ( 0.155 0.000 0.690) 0.707 99.933 ( -0.202 0.000 0.219) 0.298 99.978 ( -0.156 0.000 -0.166) 0.228 ======================= Grid point 297 (131/315) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -5.756 12.109 11.852) 17.895 0.792 ( 6.503 12.633 11.712) 18.413 1.245 ( -0.738 5.783 23.310) 24.028 1.556 ( 0.654 9.633 -5.140) 10.938 1.810 ( -1.532 1.730 -4.043) 4.657 2.600 ( -2.683 -8.094 0.695) 8.556 3.156 ( -1.322 1.021 1.280) 2.104 3.462 ( 7.328 1.070 -0.989) 7.472 3.630 ( -11.576 29.624 -9.251) 33.124 3.897 ( 0.583 27.726 -2.800) 27.873 6.174 ( -4.161 -0.056 -4.499) 6.129 6.861 ( -1.016 -12.509 8.934) 15.406 7.779 ( 0.742 19.009 -1.752) 19.104 10.219 ( -0.341 11.759 -1.442) 11.852 11.878 ( -3.079 8.634 -1.340) 9.264 11.990 ( 2.840 10.955 -0.250) 11.320 14.926 ( 5.413 -2.757 -0.809) 6.128 15.477 ( -0.454 -2.852 -2.597) 3.884 44.901 ( 0.797 -6.687 0.674) 6.768 45.361 ( 0.787 -12.602 -1.725) 12.744 97.545 ( -0.009 0.775 0.525) 0.936 97.566 ( -0.486 0.385 0.812) 1.022 99.936 ( -0.110 0.418 0.016) 0.433 99.976 ( -0.056 0.102 -0.165) 0.202 ======================= Grid point 298 (132/315) ======================= q-point: ( 0.09 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 4.821 5.448 12.385) 14.364 0.966 ( 6.412 8.984 13.816) 17.684 1.361 ( 5.567 6.852 13.225) 15.901 1.556 ( 1.377 9.648 -5.711) 11.296 1.887 ( 9.431 0.614 -0.955) 9.499 2.550 ( -1.241 -3.318 -2.560) 4.371 3.223 ( 7.077 2.533 1.905) 7.754 3.611 ( 8.461 9.084 -6.502) 14.014 3.725 ( 19.108 14.526 -4.371) 24.397 4.037 ( 14.814 18.872 -0.595) 23.999 6.099 ( -2.718 0.285 -3.728) 4.622 6.858 ( -1.955 -13.358 8.715) 16.069 7.704 ( -6.991 20.763 0.742) 21.921 10.203 ( -0.905 12.832 -1.518) 12.954 11.796 ( -4.973 7.912 -0.709) 9.371 12.030 ( 1.501 13.045 -0.027) 13.131 15.126 ( 9.426 -5.753 -6.162) 12.646 15.566 ( 13.670 -3.210 -5.172) 14.964 44.914 ( 0.393 -6.807 0.639) 6.848 45.332 ( -3.025 -12.151 -1.945) 12.672 97.544 ( -0.274 0.837 0.517) 1.021 97.556 ( -0.730 0.686 1.017) 1.427 99.934 ( -0.102 0.331 0.080) 0.356 99.976 ( 0.049 0.074 -0.118) 0.148 ======================= Grid point 299 (133/315) ======================= q-point: ( 0.18 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 8.167 0.243 11.894) 14.430 1.106 ( 4.809 5.042 11.083) 13.091 1.516 ( 6.667 5.006 -1.475) 8.467 1.604 ( 7.324 9.072 -1.439) 11.748 2.080 ( 8.271 -2.557 2.995) 9.160 2.544 ( 1.833 -1.836 -2.331) 3.488 3.375 ( 7.895 7.329 2.650) 11.094 3.751 ( 7.529 4.043 -3.652) 9.294 4.085 ( 20.198 11.264 -12.992) 26.526 4.452 ( 26.520 4.530 2.137) 26.988 6.031 ( -3.901 -1.335 -1.865) 4.526 6.850 ( -1.704 -12.162 8.801) 15.109 7.559 ( -8.287 22.170 1.445) 23.712 10.178 ( -1.173 12.984 -1.135) 13.086 11.692 ( -5.750 9.754 -0.561) 11.336 12.049 ( 0.468 15.871 0.239) 15.879 15.155 ( -2.249 -4.024 -3.515) 5.797 15.924 ( 23.199 -5.529 -10.875) 26.212 44.920 ( 0.073 -6.920 0.351) 6.929 45.247 ( -5.007 -11.104 -1.863) 12.323 97.539 ( -0.319 0.915 0.600) 1.139 97.547 ( -0.473 0.863 0.989) 1.395 99.933 ( -0.023 0.169 0.132) 0.216 99.978 ( 0.149 0.020 -0.018) 0.152 ======================= Grid point 300 (134/315) ======================= q-point: ( 0.27 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 6.334 -0.900 9.870) 11.762 1.242 ( 7.056 3.713 3.146) 8.571 1.578 ( 2.557 5.863 -2.770) 6.971 1.823 ( 13.185 2.661 -0.044) 13.451 2.154 ( -1.244 -3.365 0.992) 3.722 2.620 ( 5.439 -3.496 2.725) 7.017 3.532 ( 7.697 7.975 2.610) 11.387 3.877 ( 6.885 4.412 -2.425) 8.529 4.393 ( 16.473 3.967 -12.736) 21.196 4.953 ( 24.841 -3.151 -0.353) 25.043 5.938 ( -5.691 -3.675 1.658) 6.974 6.848 ( -1.661 -10.003 9.194) 13.688 7.412 ( -7.329 23.323 0.466) 24.452 10.155 ( -0.898 12.474 -0.650) 12.523 11.584 ( -5.193 13.762 -0.467) 14.717 12.050 ( -0.423 18.612 0.311) 18.620 15.080 ( -4.188 -2.501 -1.178) 5.018 16.300 ( 19.630 -5.365 -11.229) 23.242 44.919 ( -0.190 -6.996 -0.278) 7.004 45.143 ( -5.124 -10.095 -1.701) 11.448 97.536 ( -0.246 0.981 0.729) 1.246 97.544 ( -0.262 0.863 0.789) 1.198 99.933 ( 0.053 0.021 0.152) 0.162 99.981 ( 0.191 -0.055 0.104) 0.225 ======================= Grid point 301 (135/315) ======================= q-point: ( 0.36 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 7.732 -1.633 5.107) 9.409 1.374 ( 6.460 3.424 -0.508) 7.329 1.611 ( 1.467 5.653 -0.755) 5.889 2.029 ( 2.468 -2.369 -2.192) 4.063 2.093 ( 0.952 -1.540 2.202) 2.850 2.717 ( 2.424 -5.770 5.912) 8.609 3.670 ( 5.718 6.892 2.195) 9.221 3.993 ( 5.861 4.187 -1.581) 7.375 4.614 ( 10.637 -0.796 -11.450) 15.649 5.358 ( 18.484 -7.583 -7.246) 21.252 5.852 ( -3.870 -5.929 8.980) 11.435 6.834 ( -3.327 -8.887 10.277) 13.988 7.293 ( -5.194 24.960 -0.832) 25.508 10.143 ( -0.240 11.878 -0.270) 11.884 11.503 ( -3.087 18.270 -0.271) 18.531 12.036 ( -1.085 20.465 0.327) 20.496 15.007 ( -3.161 -1.811 0.189) 3.648 16.577 ( 13.109 -4.356 -10.416) 17.301 44.909 ( -0.678 -6.964 -1.332) 7.122 45.055 ( -3.419 -9.335 -1.107) 10.003 97.535 ( -0.075 0.962 0.754) 1.225 97.542 ( -0.236 0.870 0.702) 1.142 99.935 ( 0.098 -0.076 0.162) 0.204 99.985 ( 0.157 -0.144 0.209) 0.298 ======================= Grid point 302 (136/315) ======================= q-point: ( 0.45 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 4.430 0.002 0.886) 4.518 1.496 ( 5.695 0.732 -1.113) 5.849 1.640 ( 3.102 3.801 0.242) 4.912 1.892 ( -9.435 -0.259 -0.655) 9.461 2.219 ( 5.253 -3.601 1.064) 6.457 2.730 ( -3.435 -6.276 7.451) 10.330 3.749 ( 1.731 5.983 1.831) 6.492 4.077 ( 3.113 4.424 -0.832) 5.473 4.710 ( 3.000 -4.301 -11.097) 12.273 5.541 ( 4.008 -5.585 -13.615) 15.252 5.926 ( 8.282 -10.822 15.246) 20.449 6.787 ( -5.107 -8.244 11.464) 15.016 7.210 ( -3.243 26.031 -1.536) 26.277 10.145 ( 0.603 11.501 -0.079) 11.517 11.472 ( -0.014 21.207 -0.100) 21.207 12.013 ( -1.365 20.991 0.353) 21.038 14.968 ( -0.991 -1.841 0.799) 2.239 16.722 ( 5.603 -3.572 -10.014) 12.018 44.884 ( -1.346 -6.817 -2.195) 7.287 45.016 ( -0.368 -8.955 -0.510) 8.977 97.538 ( 0.029 0.858 0.772) 1.154 97.539 ( -0.226 0.947 0.658) 1.175 99.938 ( 0.098 -0.110 0.168) 0.224 99.988 ( 0.066 -0.220 0.268) 0.353 ======================= Grid point 303 (137/315) ======================= q-point: (-0.45 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -3.593 -0.870 -1.033) 3.838 1.522 ( -0.888 1.290 -0.341) 1.603 1.655 ( -7.928 -0.279 2.175) 8.225 1.846 ( 10.366 2.823 -2.237) 10.974 2.266 ( -0.678 -3.749 0.752) 3.883 2.638 ( -8.723 -5.190 8.652) 13.338 3.742 ( -3.035 6.136 1.752) 7.067 4.096 ( -0.980 5.169 -0.600) 5.296 4.654 ( -5.239 -5.850 -10.919) 13.449 5.507 ( -2.271 -3.294 -10.021) 10.790 6.166 ( 10.907 -12.969 9.690) 19.521 6.727 ( -4.748 -6.799 12.367) 14.890 7.159 ( -1.586 26.055 -1.251) 26.133 10.164 ( 1.323 11.225 -0.084) 11.303 11.501 ( 2.949 21.105 -0.157) 21.310 11.990 ( -1.209 20.283 0.394) 20.323 14.975 ( 1.342 -2.359 0.788) 2.826 16.727 ( -1.656 -3.647 -10.141) 10.904 44.854 ( -0.957 -6.625 -1.990) 6.983 45.032 ( 2.095 -8.990 -0.703) 9.258 97.534 ( -0.416 0.950 0.731) 1.269 97.544 ( 0.281 0.840 0.704) 1.131 99.940 ( 0.051 -0.090 0.168) 0.197 99.989 ( -0.046 -0.250 0.269) 0.370 ======================= Grid point 304 (138/315) ======================= q-point: (-0.36 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -11.835 -4.911 0.171) 12.815 1.416 ( -10.399 2.151 3.933) 11.324 1.591 ( 0.702 5.601 -0.597) 5.676 2.064 ( 10.629 -1.822 -4.576) 11.715 2.199 ( -5.744 -1.000 2.677) 6.416 2.473 ( -10.899 -3.602 8.672) 14.386 3.654 ( -6.488 7.714 1.981) 10.273 4.034 ( -5.209 5.552 -1.087) 7.691 4.447 ( -12.958 -3.826 -10.058) 16.844 5.403 ( -5.518 -1.963 -10.570) 12.084 6.356 ( 6.124 -12.879 4.473) 14.946 6.700 ( -2.366 -4.897 14.502) 15.488 7.155 ( 1.879 25.885 -0.592) 25.960 10.192 ( 1.582 10.908 -0.281) 11.025 11.577 ( 5.033 17.969 -0.400) 18.665 11.972 ( -0.752 18.788 0.410) 18.808 15.019 ( 2.993 -3.153 0.117) 4.349 16.601 ( -8.167 -4.798 -10.906) 14.445 44.839 ( -0.059 -6.482 -1.326) 6.616 45.086 ( 3.707 -9.365 -1.047) 10.126 97.528 ( -0.394 1.004 0.774) 1.328 97.552 ( 0.326 0.784 0.705) 1.103 99.941 ( -0.023 -0.031 0.161) 0.166 99.988 ( -0.139 -0.214 0.210) 0.330 ======================= Grid point 305 (139/315) ======================= q-point: (-0.27 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -13.545 -4.851 4.376) 15.038 1.215 ( -12.288 3.989 6.776) 14.589 1.602 ( 0.460 6.259 -2.235) 6.662 1.944 ( -15.802 2.236 2.954) 16.231 2.299 ( -7.900 -4.153 5.801) 10.645 2.317 ( 8.964 -1.793 -2.053) 9.369 3.527 ( -7.346 10.395 2.365) 12.947 3.885 ( -10.816 1.610 -3.077) 11.360 4.136 ( -14.998 5.215 -7.134) 17.408 5.217 ( -10.591 -0.120 -14.525) 17.977 6.419 ( 0.261 -10.552 -0.088) 10.556 6.728 ( -0.020 -5.126 15.693) 16.509 7.238 ( 7.001 25.301 0.972) 26.269 10.218 ( 1.225 10.627 -0.650) 10.717 11.681 ( 5.997 13.401 -0.597) 14.694 11.963 ( -0.329 16.885 0.353) 16.892 15.078 ( 3.197 -4.086 -1.454) 5.388 16.350 ( -14.584 -6.528 -12.401) 20.226 44.842 ( 0.714 -6.452 -0.569) 6.516 45.160 ( 4.464 -9.947 -1.170) 10.965 97.525 ( -0.163 1.018 0.844) 1.333 97.560 ( 0.234 0.750 0.735) 1.075 99.940 ( -0.087 0.063 0.153) 0.186 99.985 ( -0.186 -0.123 0.102) 0.245 ======================= Grid point 306 (140/315) ======================= q-point: (-0.18 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -10.800 -1.215 9.543) 14.463 1.011 ( -11.612 5.970 10.556) 16.789 1.568 ( -8.243 5.903 1.363) 10.230 1.641 ( -11.740 8.395 3.116) 14.765 2.127 ( -10.116 -2.010 2.346) 10.578 2.491 ( 8.133 -6.183 -2.199) 10.451 3.399 ( -7.315 10.912 2.367) 13.349 3.596 ( -15.369 -0.555 -5.524) 16.341 3.917 ( -6.847 15.237 -2.712) 16.923 4.880 ( -20.351 4.351 -20.394) 29.138 6.382 ( -3.527 -6.457 -2.534) 7.782 6.784 ( 0.918 -7.722 13.108) 15.241 7.421 ( 11.496 23.509 2.729) 26.311 10.231 ( 0.425 10.495 -1.051) 10.556 11.792 ( 5.893 9.789 -0.762) 11.452 11.959 ( -0.355 14.622 0.210) 14.628 15.112 ( 0.451 -5.069 -4.238) 6.623 15.974 ( -20.530 -6.932 -12.287) 24.910 44.859 ( 1.091 -6.506 0.072) 6.597 45.242 ( 4.466 -10.689 -0.959) 11.624 97.529 ( 0.258 0.937 0.891) 1.318 97.565 ( 0.064 0.702 0.795) 1.062 99.939 ( -0.103 0.198 0.129) 0.258 99.982 ( -0.178 -0.012 -0.024) 0.180 ======================= Grid point 307 (141/315) ======================= q-point: (-0.09 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -2.352 7.720 12.335) 14.740 0.852 ( -9.466 9.418 12.645) 18.391 1.312 ( -13.578 7.675 16.396) 22.630 1.574 ( -0.931 8.769 -4.842) 10.060 1.938 ( -9.467 -0.110 -1.168) 9.539 2.598 ( 3.170 -8.940 -0.247) 9.488 3.237 ( -8.143 2.783 -0.021) 8.606 3.419 ( -2.022 8.495 -2.136) 8.990 3.823 ( -3.234 16.759 -2.340) 17.228 4.297 ( -32.901 18.419 -20.867) 43.095 6.282 ( -5.415 -2.617 -4.219) 7.346 6.836 ( 0.429 -10.410 10.268) 14.629 7.658 ( 11.353 20.336 0.543) 23.297 10.228 ( -0.202 10.730 -1.232) 10.802 11.888 ( 3.793 8.837 -1.714) 9.768 11.951 ( -0.142 11.969 0.431) 11.978 15.020 ( -8.892 -4.668 -5.460) 11.432 15.594 ( -12.806 -3.904 -5.072) 14.316 44.881 ( 1.073 -6.585 0.491) 6.690 45.318 ( 3.703 -11.728 -0.947) 12.335 97.539 ( 0.442 0.768 0.717) 1.140 97.568 ( -0.088 0.532 0.830) 0.990 99.937 ( -0.082 0.351 0.061) 0.365 99.979 ( -0.127 0.075 -0.128) 0.195 ======================= Grid point 308 (142/315) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -3.916 10.175 11.628) 15.939 1.052 ( 2.984 13.116 9.499) 16.467 1.465 ( 0.330 16.422 13.872) 21.500 1.779 ( 1.601 11.594 -4.098) 12.401 1.866 ( -2.246 4.324 -3.300) 5.884 2.483 ( 1.035 -4.524 -2.838) 5.440 3.189 ( -1.864 2.440 0.984) 3.224 3.474 ( 3.769 0.836 0.345) 3.876 4.178 ( -2.028 27.146 -7.973) 28.365 4.478 ( -3.256 26.131 -10.146) 28.221 6.198 ( -2.610 2.906 -3.330) 5.133 6.659 ( -2.832 -7.716 12.271) 14.769 8.186 ( 1.299 22.506 -3.599) 22.829 10.527 ( 0.594 18.655 0.933) 18.688 12.112 ( -4.766 14.902 -1.420) 15.710 12.274 ( 5.302 17.315 -1.383) 18.162 14.852 ( 3.200 -4.585 -0.795) 5.647 15.394 ( 0.163 -5.618 -2.526) 6.162 44.712 ( 0.725 -12.351 0.041) 12.372 45.027 ( 0.438 -20.726 -1.502) 20.785 97.567 ( 0.038 1.434 0.674) 1.585 97.585 ( -0.412 1.525 0.915) 1.826 99.943 ( -0.079 0.325 -0.165) 0.373 99.979 ( -0.073 0.101 -0.032) 0.128 ======================= Grid point 309 (143/315) ======================= q-point: ( 0.09 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -0.473 11.869 9.766) 15.377 1.117 ( 0.916 7.076 14.612) 16.261 1.572 ( 4.980 13.976 6.499) 16.198 1.781 ( 1.023 12.468 -5.280) 13.578 1.904 ( 5.826 0.964 -0.608) 5.937 2.490 ( 0.957 -2.778 -3.580) 4.631 3.251 ( 8.832 1.093 0.657) 8.924 3.670 ( 13.336 1.046 0.423) 13.383 4.162 ( 4.861 24.189 -9.228) 26.342 4.476 ( 4.588 22.344 -4.806) 23.311 6.122 ( -4.505 2.281 -2.829) 5.788 6.649 ( -2.168 -7.826 11.752) 14.285 8.145 ( -3.864 24.326 -2.185) 24.727 10.532 ( -0.500 19.557 0.355) 19.567 12.017 ( -4.242 14.344 -0.069) 14.958 12.382 ( 6.161 22.158 -1.684) 23.060 14.986 ( 7.878 -8.052 -3.219) 11.716 15.480 ( 11.158 -5.503 -3.968) 13.059 44.722 ( 0.329 -12.560 0.029) 12.564 45.006 ( -2.040 -20.371 -1.795) 20.551 97.567 ( -0.164 1.559 0.619) 1.685 97.579 ( -0.512 1.605 0.956) 1.937 99.940 ( -0.201 0.287 -0.095) 0.363 99.977 ( -0.025 0.080 0.005) 0.084 ======================= Grid point 310 (144/315) ======================= q-point: ( 0.18 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 3.961 7.810 11.626) 14.555 1.189 ( 2.779 3.708 10.581) 11.551 1.669 ( 4.635 10.061 -2.232) 11.300 1.811 ( 3.755 11.247 -3.234) 12.291 2.019 ( 4.860 -3.362 2.085) 6.267 2.500 ( 1.165 -2.610 -1.408) 3.186 3.473 ( 12.675 1.805 0.711) 12.823 3.867 ( 7.347 6.961 -2.623) 10.455 4.318 ( 12.756 11.169 -8.969) 19.181 4.614 ( 11.276 11.618 -1.120) 16.229 6.007 ( -6.881 -0.773 -1.568) 7.099 6.651 ( -1.636 -8.246 11.719) 14.423 8.053 ( -4.835 28.302 -0.886) 28.726 10.511 ( -1.677 19.734 0.149) 19.806 11.961 ( -1.703 17.399 0.446) 17.488 12.487 ( 5.330 28.021 -1.760) 28.577 15.047 ( 0.102 -6.806 -2.361) 7.205 15.785 ( 21.136 -8.136 -7.886) 23.981 44.725 ( 0.025 -12.731 -0.172) 12.733 44.945 ( -3.604 -19.086 -1.959) 19.522 97.565 ( -0.206 1.703 0.653) 1.836 97.572 ( -0.443 1.627 0.873) 1.899 99.936 ( -0.185 0.151 0.005) 0.239 99.978 ( 0.036 -0.011 0.075) 0.084 ======================= Grid point 311 (145/315) ======================= q-point: ( 0.27 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 4.400 4.209 11.188) 12.738 1.301 ( 6.689 2.321 2.768) 7.602 1.725 ( 2.232 8.703 -3.343) 9.587 1.905 ( 6.312 5.207 -1.515) 8.322 2.070 ( -0.072 -4.541 1.294) 4.723 2.532 ( 1.853 -5.153 2.872) 6.183 3.692 ( 9.597 5.970 2.173) 11.510 3.969 ( 5.531 5.797 -4.162) 9.029 4.506 ( 9.653 6.594 -9.974) 15.367 4.874 ( 15.025 -4.289 0.348) 15.629 5.864 ( -7.708 -3.309 0.796) 8.427 6.650 ( -2.614 -10.188 11.676) 15.714 7.969 ( -3.758 32.800 -0.281) 33.015 10.477 ( -1.822 19.176 0.254) 19.264 11.954 ( 0.775 23.296 0.190) 23.310 12.565 ( 3.330 32.925 -1.794) 33.141 15.012 ( -2.660 -4.381 -0.790) 5.186 16.159 ( 20.236 -8.643 -9.595) 24.005 44.723 ( -0.161 -12.821 -0.628) 12.837 44.866 ( -3.816 -17.553 -1.910) 18.064 97.563 ( -0.259 1.754 0.807) 1.948 97.568 ( -0.241 1.603 0.647) 1.746 99.934 ( -0.092 -0.020 0.082) 0.125 99.979 ( 0.057 -0.155 0.146) 0.220 ======================= Grid point 312 (146/315) ======================= q-point: ( 0.36 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 6.417 2.216 6.969) 9.729 1.435 ( 6.833 2.446 -1.122) 7.344 1.730 ( -1.202 5.457 -2.036) 5.948 1.977 ( -0.759 -2.252 -1.892) 3.038 2.073 ( 2.625 0.201 2.113) 3.375 2.573 ( 0.545 -8.348 6.085) 10.344 3.840 ( 5.164 9.397 2.352) 10.978 4.068 ( 6.209 2.649 -3.149) 7.449 4.611 ( 4.448 0.964 -9.518) 10.550 5.146 ( 13.767 -13.611 -3.018) 19.594 5.742 ( -5.621 -4.709 5.138) 8.954 6.623 ( -4.066 -12.062 11.655) 17.258 7.909 ( -2.674 36.405 -0.102) 36.503 10.449 ( -1.112 18.295 0.450) 18.335 11.986 ( 2.337 29.779 -0.373) 29.873 12.598 ( 0.715 35.712 -1.628) 35.756 14.957 ( -2.718 -3.117 0.280) 4.145 16.460 ( 14.418 -7.376 -10.055) 19.063 44.714 ( -0.465 -12.687 -1.482) 12.782 44.798 ( -2.571 -16.340 -1.401) 16.600 97.562 ( -0.182 1.655 0.817) 1.855 97.566 ( -0.166 1.653 0.586) 1.761 99.933 ( 0.013 -0.153 0.143) 0.210 99.980 ( 0.034 -0.312 0.195) 0.370 ======================= Grid point 313 (147/315) ======================= q-point: ( 0.45 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 5.517 1.829 3.424) 6.746 1.551 ( 5.587 3.474 -2.212) 6.941 1.656 ( -5.098 -2.218 -1.803) 5.845 1.915 ( -3.502 2.443 -0.268) 4.279 2.147 ( 3.056 -2.670 1.972) 4.512 2.578 ( -2.471 -8.460 7.477) 11.558 3.903 ( 1.101 9.248 1.487) 9.431 4.172 ( 4.974 4.231 -1.028) 6.610 4.608 ( -1.484 -5.259 -9.169) 10.674 5.352 ( 9.223 -14.680 -10.512) 20.274 5.714 ( 0.874 -8.513 12.454) 15.111 6.579 ( -4.148 -12.187 11.831) 17.485 7.861 ( -2.425 38.472 -0.186) 38.549 10.440 ( -0.068 17.438 0.591) 17.449 12.029 ( 2.190 34.040 -0.847) 34.121 12.585 ( -1.354 36.226 -1.361) 36.277 14.919 ( -1.433 -3.099 0.812) 3.509 16.625 ( 6.267 -6.151 -10.261) 13.505 44.693 ( -1.086 -12.396 -2.257) 12.647 44.770 ( -0.051 -15.711 -0.818) 15.733 97.562 ( -0.094 1.540 0.739) 1.710 97.565 ( -0.133 1.709 0.643) 1.831 99.935 ( 0.087 -0.209 0.181) 0.290 99.981 ( -0.006 -0.436 0.218) 0.487 ======================= Grid point 314 (148/315) ======================= q-point: (-0.45 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -8.835 -0.860 -1.444) 8.993 1.546 ( -1.961 0.343 3.020) 3.618 1.676 ( 3.510 2.906 -1.200) 4.712 1.894 ( 3.297 1.377 -1.334) 3.814 2.182 ( -0.095 -3.960 1.945) 4.413 2.524 ( -5.748 -5.515 7.648) 11.043 3.895 ( -2.309 8.831 1.403) 9.235 4.227 ( 0.400 7.676 -0.043) 7.687 4.509 ( -5.503 -8.547 -9.141) 13.671 5.406 ( 1.163 -7.815 -12.251) 14.578 5.858 ( 8.662 -16.185 12.362) 22.132 6.553 ( -2.452 -10.530 12.324) 16.395 7.818 ( -1.970 39.139 -0.162) 39.189 10.449 ( 0.819 16.834 0.601) 16.865 12.052 ( 0.378 33.546 -0.823) 33.558 12.547 ( -2.058 35.555 -1.417) 35.643 14.911 ( 0.348 -3.975 0.789) 4.068 16.629 ( -2.428 -6.176 -10.297) 12.250 44.668 ( -0.681 -12.072 -2.029) 12.260 44.785 ( 1.816 -15.762 -1.038) 15.900 97.560 ( -0.313 1.686 0.726) 1.862 97.568 ( 0.178 1.534 0.659) 1.679 99.937 ( 0.105 -0.182 0.181) 0.277 99.982 ( -0.033 -0.480 0.219) 0.528 ======================= Grid point 315 (149/315) ======================= q-point: (-0.36 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -12.319 -2.619 0.110) 12.595 1.462 ( -8.715 2.686 6.065) 10.953 1.720 ( 2.437 6.903 -1.209) 7.420 2.012 ( 7.017 -3.076 -3.723) 8.518 2.161 ( -2.035 -3.348 2.186) 4.487 2.415 ( -7.967 -1.294 7.027) 10.702 3.833 ( -4.588 9.422 1.947) 10.659 4.148 ( -9.349 3.716 -2.855) 10.458 4.384 ( -3.904 -0.422 -6.370) 7.483 5.349 ( -3.042 -3.632 -11.569) 12.502 6.058 ( 8.218 -16.544 7.042) 19.769 6.569 ( -0.284 -8.205 13.728) 15.996 7.797 ( 0.218 38.133 0.071) 38.134 10.471 ( 1.207 16.564 0.483) 16.615 12.041 ( -1.097 28.124 -0.177) 28.146 12.502 ( -2.227 34.344 -1.972) 34.472 14.933 ( 1.706 -5.362 0.207) 5.631 16.474 ( -10.294 -7.723 -10.216) 16.431 44.657 ( 0.092 -11.831 -1.505) 11.927 44.828 ( 3.030 -16.424 -1.336) 16.754 97.556 ( -0.334 1.787 0.768) 1.974 97.575 ( 0.283 1.441 0.650) 1.606 99.940 ( 0.081 -0.094 0.142) 0.188 99.982 ( -0.040 -0.418 0.197) 0.463 ======================= Grid point 316 (150/315) ======================= q-point: (-0.27 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -9.737 0.675 4.218) 10.633 1.288 ( -11.351 3.815 9.152) 15.072 1.755 ( 1.457 8.418 -2.381) 8.869 1.995 ( -7.174 2.626 -1.180) 7.730 2.187 ( -0.303 -6.279 3.017) 6.973 2.309 ( -1.422 1.000 1.876) 2.557 3.732 ( -7.712 8.167 2.152) 11.437 3.890 ( -14.055 0.163 -5.587) 15.125 4.316 ( -2.297 12.267 -3.249) 12.896 5.217 ( -6.932 0.225 -13.453) 15.136 6.193 ( 4.621 -12.020 1.912) 13.019 6.617 ( 0.154 -6.398 15.470) 16.741 7.838 ( 4.188 35.119 0.241) 35.369 10.494 ( 0.965 16.564 0.355) 16.596 12.025 ( -0.230 21.052 0.521) 21.060 12.446 ( -3.069 31.389 -2.490) 31.637 14.968 ( 1.802 -6.900 -0.949) 7.194 16.186 ( -16.621 -9.682 -9.985) 21.672 44.661 ( 0.731 -11.801 -0.931) 11.860 44.887 ( 3.572 -17.434 -1.469) 17.856 97.553 ( -0.182 1.817 0.813) 1.999 97.582 ( 0.228 1.422 0.679) 1.593 99.941 ( 0.063 0.032 0.081) 0.107 99.981 ( -0.041 -0.266 0.146) 0.306 ======================= Grid point 317 (151/315) ======================= q-point: (-0.18 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -2.493 7.760 8.770) 11.973 1.118 ( -9.713 5.311 12.230) 16.496 1.728 ( -6.241 9.335 -0.256) 11.232 1.836 ( -6.009 10.564 -0.993) 12.194 2.092 ( -7.610 -0.927 3.604) 8.472 2.381 ( 5.482 -4.703 -2.742) 7.726 3.496 ( -14.817 -0.011 -2.504) 15.027 3.691 ( -7.265 7.996 -0.473) 10.814 4.269 ( -1.737 19.468 -2.612) 19.719 4.994 ( -11.760 6.789 -16.766) 21.575 6.249 ( 1.394 -6.267 -1.458) 6.584 6.658 ( -1.147 -5.712 15.414) 16.478 7.955 ( 7.866 30.542 -0.304) 31.540 10.508 ( 0.365 16.829 0.480) 16.840 12.047 ( 2.517 15.808 0.579) 16.018 12.368 ( -4.342 26.244 -2.571) 26.725 14.980 ( -0.623 -8.011 -2.570) 8.436 15.808 ( -19.180 -9.429 -8.223) 22.900 44.676 ( 1.049 -11.932 -0.435) 11.986 44.949 ( 3.404 -18.624 -1.378) 18.982 97.555 ( 0.091 1.729 0.847) 1.928 97.587 ( 0.043 1.448 0.741) 1.627 99.943 ( 0.076 0.171 0.001) 0.187 99.981 ( -0.049 -0.088 0.068) 0.122 ======================= Grid point 318 (152/315) ======================= q-point: (-0.09 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 5.253 14.035 9.331) 17.653 1.011 ( -6.035 7.042 14.142) 16.912 1.543 ( -10.938 14.741 8.141) 20.080 1.782 ( -0.633 11.166 -4.432) 12.030 1.961 ( -6.435 2.933 0.057) 7.072 2.456 ( 3.071 -5.777 -2.549) 7.022 3.269 ( -7.455 1.421 -1.599) 7.756 3.546 ( -8.093 4.367 0.559) 9.213 4.232 ( -1.426 23.410 -3.686) 23.742 4.689 ( -13.203 18.737 -17.390) 28.772 6.243 ( -1.069 -0.635 -3.039) 3.284 6.670 ( -2.408 -6.591 13.758) 15.444 8.106 ( 7.579 25.249 -2.363) 26.467 10.514 ( 0.293 17.565 0.962) 17.593 12.118 ( 4.273 14.215 -0.576) 14.855 12.272 ( -4.443 20.168 -2.061) 20.755 14.907 ( -5.729 -6.499 -2.692) 9.072 15.490 ( -10.359 -6.586 -3.910) 12.883 44.696 ( 1.021 -12.130 -0.107) 12.173 45.002 ( 2.470 -19.886 -1.282) 20.080 97.561 ( 0.238 1.525 0.796) 1.737 97.588 ( -0.197 1.482 0.826) 1.708 99.944 ( 0.059 0.280 -0.107) 0.306 99.980 ( -0.066 0.045 -0.006) 0.080 ======================= Grid point 319 (153/315) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -1.720 7.450 11.318) 13.659 1.313 ( 0.827 13.128 5.257) 14.165 1.818 ( 1.437 17.558 7.056) 18.977 1.906 ( -0.184 3.571 -3.385) 4.924 2.038 ( -2.207 10.243 -2.504) 10.773 2.418 ( 2.498 -1.732 -3.472) 4.615 3.252 ( -1.942 3.929 0.845) 4.463 3.495 ( 2.395 1.239 0.897) 2.841 4.677 ( -0.990 22.937 -8.070) 24.335 4.868 ( -2.330 14.398 -9.480) 17.395 6.284 ( -2.436 5.435 0.507) 5.978 6.559 ( -2.659 -2.552 12.557) 13.087 8.670 ( 0.934 27.221 -2.924) 27.394 10.899 ( 0.962 17.954 3.706) 18.358 12.443 ( -6.086 18.512 -1.194) 19.523 12.643 ( 8.304 19.948 -1.499) 21.660 14.756 ( 1.588 -4.920 -0.816) 5.234 15.259 ( 0.900 -8.201 -2.395) 8.591 44.431 ( 0.593 -15.961 -0.851) 15.995 44.584 ( 0.270 -23.667 -1.983) 23.751 97.601 ( 0.052 2.055 0.726) 2.180 97.621 ( -0.332 2.068 0.787) 2.238 99.948 ( -0.060 0.154 -0.222) 0.276 99.980 ( -0.074 0.031 0.125) 0.149 ======================= Grid point 320 (154/315) ======================= q-point: ( 0.09 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.384 7.607 8.904) 11.717 1.300 ( -3.361 12.023 9.464) 15.666 1.862 ( 0.657 13.915 0.670) 13.946 1.923 ( 2.030 1.717 2.007) 3.331 2.014 ( 1.153 10.659 -5.493) 12.047 2.443 ( 1.083 -1.859 -2.310) 3.156 3.281 ( 6.384 2.261 0.206) 6.776 3.683 ( 14.339 0.314 1.603) 14.432 4.600 ( -3.204 19.691 -9.114) 21.933 4.837 ( 0.815 14.320 -5.945) 15.526 6.184 ( -7.962 3.707 0.959) 8.835 6.549 ( -2.799 -2.618 11.780) 12.387 8.667 ( -0.149 29.180 -2.239) 29.266 10.916 ( -0.455 18.378 2.794) 18.595 12.344 ( -2.727 18.742 0.645) 18.950 12.860 ( 13.434 25.688 -2.916) 29.135 14.827 ( 5.118 -7.930 -1.531) 9.562 15.353 ( 10.240 -7.363 -3.235) 13.020 44.437 ( 0.242 -16.259 -0.818) 16.282 44.570 ( -1.044 -23.287 -2.161) 23.410 97.603 ( -0.045 2.103 0.675) 2.209 97.616 ( -0.468 2.095 0.811) 2.294 99.944 ( -0.254 0.140 -0.178) 0.340 99.978 ( -0.119 0.003 0.141) 0.184 ======================= Grid point 321 (155/315) ======================= q-point: ( 0.18 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 2.534 8.221 7.734) 11.568 1.280 ( -1.450 7.380 10.446) 12.872 1.883 ( 2.443 10.621 -3.001) 11.304 1.943 ( -0.685 -1.695 0.224) 1.841 2.036 ( 2.260 9.407 -2.853) 10.087 2.444 ( -0.595 -3.043 0.473) 3.137 3.473 ( 12.641 -0.808 -0.645) 12.683 3.962 ( 12.921 1.981 0.514) 13.082 4.538 ( 0.279 11.491 -7.377) 13.658 4.837 ( 0.480 9.706 -4.050) 10.528 6.010 ( -10.275 1.195 0.968) 10.389 6.518 ( -4.470 -5.654 11.897) 13.910 8.659 ( -0.014 33.297 -0.958) 33.311 10.898 ( -2.164 18.494 1.862) 18.713 12.355 ( 3.377 22.457 1.444) 22.755 13.098 ( 12.294 33.111 -3.829) 35.527 14.897 ( 2.429 -8.312 -1.404) 8.772 15.620 ( 18.694 -8.529 -5.713) 21.327 44.436 ( -0.025 -16.501 -0.873) 16.524 44.534 ( -1.918 -21.981 -2.313) 22.185 97.604 ( -0.119 2.166 0.670) 2.271 97.609 ( -0.473 2.068 0.763) 2.255 99.938 ( -0.314 0.062 -0.086) 0.331 99.977 ( -0.131 -0.123 0.168) 0.246 ======================= Grid point 322 (156/315) ======================= q-point: ( 0.27 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 1.327 8.275 10.693) 13.585 1.341 ( 5.340 1.982 2.784) 6.339 1.884 ( -3.528 2.576 -2.211) 4.896 1.949 ( 3.127 2.714 -1.466) 4.393 2.073 ( 2.239 5.861 -1.127) 6.375 2.427 ( -1.748 -5.389 3.675) 6.753 3.717 ( 12.847 -2.334 0.102) 13.058 4.119 ( 4.005 7.889 -2.901) 9.311 4.588 ( 6.654 0.756 -5.238) 8.502 4.824 ( -0.740 0.218 -1.744) 1.907 5.822 ( -9.580 -0.822 1.660) 9.757 6.458 ( -5.692 -9.339 11.767) 16.064 8.660 ( 0.162 36.991 0.156) 36.992 10.854 ( -2.765 18.114 1.329) 18.372 12.466 ( 7.398 28.242 0.990) 29.211 13.282 ( 8.175 38.852 -4.106) 39.915 14.912 ( -0.368 -5.799 -0.549) 5.836 15.979 ( 20.447 -9.416 -8.106) 23.926 44.431 ( -0.117 -16.703 -1.027) 16.735 44.487 ( -2.070 -20.191 -2.362) 20.434 97.602 ( -0.395 2.102 0.884) 2.314 97.605 ( -0.146 2.088 0.492) 2.150 99.933 ( -0.239 -0.067 0.021) 0.249 99.975 ( -0.136 -0.309 0.182) 0.384 ======================= Grid point 323 (157/315) ======================= q-point: ( 0.36 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 4.325 5.456 7.927) 10.550 1.462 ( 6.715 0.394 -0.636) 6.757 1.771 ( -7.509 -1.766 -1.944) 7.955 1.991 ( 0.817 4.305 -1.424) 4.608 2.115 ( 2.226 3.947 0.947) 4.630 2.411 ( -1.307 -7.843 6.417) 10.217 3.950 ( 11.238 -0.830 1.791) 11.410 4.138 ( 0.570 7.085 -4.363) 8.340 4.654 ( -1.064 2.943 -6.025) 6.789 4.847 ( 5.600 -16.339 -0.083) 17.273 5.677 ( -6.242 -1.817 3.353) 7.315 6.386 ( -5.425 -11.689 11.344) 17.168 8.661 ( -0.284 39.432 0.800) 39.441 10.809 ( -2.208 17.319 1.055) 17.491 12.618 ( 7.940 33.720 -0.137) 34.642 13.374 ( 2.906 42.067 -3.817) 42.340 14.888 ( -1.857 -3.900 0.266) 4.328 16.302 ( 15.900 -8.498 -9.725) 20.484 44.426 ( 0.040 -16.734 -1.326) 16.786 44.445 ( -1.599 -18.587 -2.218) 18.787 97.598 ( -0.285 1.998 0.766) 2.159 97.604 ( -0.137 2.098 0.568) 2.178 99.930 ( -0.090 -0.192 0.123) 0.245 99.973 ( -0.130 -0.494 0.174) 0.539 ======================= Grid point 324 (158/315) ======================= q-point: ( 0.45 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 5.983 3.653 5.351) 8.819 1.579 ( -0.636 -3.524 -3.079) 4.723 1.603 ( -2.666 0.535 -0.715) 2.811 1.959 ( -3.515 1.906 -0.453) 4.024 2.151 ( 0.551 2.979 2.717) 4.069 2.425 ( 0.333 -6.674 6.906) 9.609 4.090 ( 0.324 9.307 1.651) 9.458 4.190 ( 8.653 -3.134 -2.783) 9.615 4.538 ( -7.911 -1.796 -4.415) 9.236 4.997 ( 9.676 -19.527 -4.335) 22.220 5.612 ( -2.351 -2.728 6.220) 7.187 6.335 ( -3.436 -12.280 11.072) 16.887 8.650 ( -1.251 40.945 0.999) 40.977 10.782 ( -0.982 16.424 0.901) 16.478 12.737 ( 4.200 36.830 -1.176) 37.088 13.375 ( -1.181 43.097 -3.272) 43.237 14.852 ( -1.912 -3.578 0.722) 4.121 16.491 ( 7.133 -7.297 -10.543) 14.672 44.413 ( -0.859 -16.102 -2.291) 16.287 44.429 ( 0.534 -18.119 -1.334) 18.176 97.596 ( -0.103 1.943 0.681) 2.061 97.603 ( -0.173 2.067 0.634) 2.169 99.930 ( 0.064 -0.261 0.192) 0.330 99.971 ( -0.090 -0.621 0.157) 0.647 ======================= Grid point 325 (159/315) ======================= q-point: (-0.45 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -11.686 -1.601 -1.143) 11.850 1.571 ( 1.963 3.078 4.746) 5.987 1.719 ( 6.195 -0.110 -1.213) 6.314 1.895 ( -1.179 -0.553 0.379) 1.357 2.147 ( -1.709 0.922 2.468) 3.140 2.447 ( -0.571 -2.165 5.646) 6.074 4.059 ( -3.261 7.165 1.269) 7.973 4.327 ( -1.191 -8.966 -6.072) 10.894 4.376 ( -0.961 6.089 0.336) 6.173 5.159 ( 9.107 -16.758 -9.837) 21.461 5.631 ( 2.041 -6.312 10.057) 12.048 6.334 ( -0.348 -11.422 11.367) 16.118 8.621 ( -2.048 41.689 0.953) 41.750 10.779 ( 0.310 15.774 0.835) 15.799 12.747 ( -3.056 35.984 -0.986) 36.127 13.327 ( -2.458 42.783 -3.449) 42.992 14.826 ( -1.007 -4.523 0.659) 4.680 16.495 ( -3.222 -7.238 -10.474) 13.133 44.395 ( -0.260 -15.428 -2.010) 15.560 44.442 ( 1.385 -18.472 -1.611) 18.594 97.597 ( -0.118 2.032 0.699) 2.152 97.602 ( -0.014 1.939 0.617) 2.035 99.933 ( 0.166 -0.246 0.195) 0.355 99.970 ( -0.008 -0.654 0.155) 0.673 ======================= Grid point 326 (160/315) ======================= q-point: (-0.36 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -9.487 1.609 0.974) 9.672 1.526 ( -8.008 3.927 7.469) 11.633 1.806 ( 4.173 0.285 -0.743) 4.249 1.967 ( 7.080 -2.036 -0.893) 7.421 2.108 ( -2.828 0.735 0.620) 2.988 2.427 ( -3.250 1.976 4.455) 5.858 3.976 ( -6.788 3.662 2.842) 8.219 4.127 ( -10.724 -3.228 -6.822) 13.113 4.481 ( 5.687 8.282 -0.589) 10.064 5.247 ( 3.609 -7.275 -12.809) 15.167 5.763 ( 8.292 -12.025 9.754) 17.564 6.391 ( 2.141 -9.689 12.548) 15.997 8.586 ( -1.706 41.228 0.816) 41.271 10.796 ( 1.089 15.545 0.925) 15.610 12.632 ( -8.101 31.325 0.470) 32.359 13.257 ( -4.011 41.271 -4.522) 41.711 14.818 ( -0.098 -6.246 0.160) 6.249 16.312 ( -12.397 -8.554 -9.579) 17.850 44.390 ( 0.286 -15.042 -1.726) 15.143 44.470 ( 2.083 -19.383 -1.798) 19.578 97.595 ( -0.256 2.168 0.750) 2.309 97.607 ( 0.252 1.824 0.591) 1.934 99.937 ( 0.201 -0.159 0.122) 0.284 99.972 ( 0.094 -0.577 0.176) 0.610 ======================= Grid point 327 (161/315) ======================= q-point: (-0.27 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -3.410 7.081 4.096) 8.862 1.373 ( -10.108 4.888 9.906) 14.973 1.871 ( 2.729 1.836 -1.838) 3.768 2.043 ( -2.857 -1.731 0.286) 3.353 2.102 ( 5.720 3.270 -1.978) 6.879 2.361 ( -4.547 3.996 3.341) 6.914 3.770 ( -14.585 -2.192 -1.888) 14.869 3.954 ( -6.726 4.277 -1.082) 8.044 4.572 ( 4.471 12.966 -2.202) 13.891 5.224 ( -1.449 0.269 -12.662) 12.748 5.968 ( 10.088 -10.396 4.784) 15.256 6.480 ( 2.352 -7.549 14.209) 16.261 8.572 ( 0.149 38.891 0.482) 38.894 10.821 ( 1.100 15.724 1.349) 15.820 12.482 ( -7.233 25.095 1.673) 26.170 13.134 ( -7.583 37.444 -5.205) 38.557 14.819 ( 0.124 -8.118 -0.579) 8.139 15.990 ( -18.023 -9.960 -8.024) 22.100 44.395 ( 0.707 -15.030 -1.426) 15.114 44.507 ( 2.365 -20.599 -1.903) 20.821 97.593 ( -0.180 2.211 0.763) 2.346 97.614 ( 0.269 1.838 0.630) 1.961 99.941 ( 0.207 -0.041 0.012) 0.211 99.975 ( 0.152 -0.404 0.192) 0.473 ======================= Grid point 328 (162/315) ======================= q-point: (-0.18 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 3.699 11.995 6.505) 14.138 1.233 ( -7.684 6.709 11.322) 15.239 1.881 ( -1.406 4.791 -1.714) 5.279 1.987 ( -2.336 3.376 -2.377) 4.744 2.152 ( -1.682 8.400 2.736) 8.993 2.322 ( 1.307 -0.614 -1.115) 1.824 3.489 ( -12.886 -0.124 -3.110) 13.256 3.809 ( -9.398 3.761 1.471) 10.229 4.638 ( 3.573 17.483 -4.030) 18.294 5.124 ( -4.536 6.069 -13.069) 15.107 6.150 ( 7.922 -3.740 1.118) 8.831 6.551 ( 0.019 -5.276 14.924) 15.829 8.597 ( 2.321 34.544 -0.483) 34.625 10.844 ( 0.771 16.299 2.311) 16.481 12.397 ( -1.859 19.644 1.770) 19.811 12.941 ( -10.959 31.098 -4.914) 33.337 14.812 ( -0.819 -8.900 -1.284) 9.029 15.620 ( -17.650 -9.556 -5.739) 20.875 44.406 ( 0.917 -15.264 -1.155) 15.335 44.544 ( 2.151 -21.917 -1.912) 22.105 97.594 ( -0.017 2.185 0.772) 2.318 97.620 ( 0.125 1.906 0.688) 2.030 99.945 ( 0.204 0.064 -0.095) 0.234 99.978 ( 0.121 -0.202 0.176) 0.293 ======================= Grid point 329 (163/315) ======================= q-point: (-0.09 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -3.148 7.383 11.543) 14.059 1.218 ( 5.576 13.980 6.459) 16.379 1.825 ( -3.342 11.950 2.100) 12.585 1.938 ( -1.869 4.986 -3.308) 6.268 2.097 ( -3.689 10.474 1.858) 11.259 2.372 ( 3.471 -2.257 -3.284) 5.285 3.306 ( -5.236 2.481 -1.513) 5.988 3.608 ( -11.353 2.289 1.583) 11.689 4.680 ( 2.398 21.212 -5.766) 22.112 4.984 ( -5.451 11.489 -12.710) 17.979 6.267 ( 3.941 2.807 -0.033) 4.839 6.571 ( -2.612 -3.672 14.126) 14.828 8.643 ( 2.632 29.570 -2.079) 29.760 10.868 ( 0.914 17.203 3.488) 17.577 12.428 ( 4.340 17.176 0.500) 17.723 12.711 ( -10.946 23.929 -3.484) 26.543 14.776 ( -2.258 -6.714 -1.281) 7.199 15.342 ( -9.224 -8.405 -3.249) 12.895 44.420 ( 0.866 -15.609 -0.961) 15.662 44.573 ( 1.446 -23.074 -1.895) 23.197 97.597 ( 0.091 2.100 0.764) 2.237 97.623 ( -0.107 1.996 0.744) 2.133 99.948 ( 0.131 0.129 -0.184) 0.260 99.980 ( 0.023 -0.043 0.141) 0.150 ======================= Grid point 330 (164/315) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -1.506 8.268 6.948) 10.904 1.549 ( 1.123 10.707 2.903) 11.151 1.932 ( -0.417 0.473 -0.998) 1.180 2.103 ( 5.640 4.910 -5.608) 9.348 2.199 ( -5.127 10.394 3.932) 12.239 2.453 ( 0.659 5.621 -1.142) 5.773 3.337 ( -1.611 4.650 0.917) 5.006 3.520 ( 1.335 1.131 1.293) 2.176 5.039 ( -3.316 12.837 -10.075) 16.652 5.079 ( 0.447 8.796 -8.746) 12.412 6.386 ( -4.548 4.751 8.306) 10.595 6.561 ( -0.734 2.452 10.185) 10.501 9.247 ( 0.934 31.465 -1.473) 31.514 11.173 ( 1.087 8.770 5.636) 10.481 12.818 ( -5.725 19.463 -1.150) 20.320 13.032 ( 9.748 19.199 -1.215) 21.567 14.670 ( 0.759 -3.680 -0.685) 3.820 15.077 ( 1.464 -10.251 -2.188) 10.583 44.105 ( 0.207 -17.148 -1.962) 17.262 44.141 ( 0.471 -20.385 -2.425) 20.534 97.643 ( 0.051 2.168 0.700) 2.278 97.661 ( -0.263 1.977 0.721) 2.121 99.950 ( -0.050 0.123 -0.224) 0.260 99.979 ( -0.068 -0.128 0.210) 0.255 ======================= Grid point 331 (165/315) ======================= q-point: ( 0.09 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -0.337 6.930 6.019) 9.185 1.538 ( -3.086 11.346 5.043) 12.794 1.912 ( -1.213 -0.888 -1.334) 2.010 2.125 ( -2.660 7.241 -0.504) 7.730 2.182 ( 3.172 8.812 -3.712) 10.075 2.441 ( -1.754 2.394 0.778) 3.068 3.342 ( 3.541 3.863 0.237) 5.245 3.680 ( 12.656 -0.667 2.046) 12.838 4.909 ( -6.384 11.693 -9.207) 16.195 5.050 ( -1.580 7.903 -7.345) 10.904 6.260 ( -10.624 4.179 7.438) 13.626 6.532 ( -5.812 0.405 10.186) 11.735 9.280 ( 2.795 33.097 -1.139) 33.234 11.198 ( -0.364 9.247 4.562) 10.318 12.737 ( -0.318 21.099 1.021) 21.126 13.346 ( 20.816 22.904 -3.504) 31.147 14.685 ( 1.539 -6.258 -0.690) 6.482 15.195 ( 11.142 -8.696 -2.807) 14.410 44.100 ( -0.118 -18.111 -1.941) 18.215 44.139 ( 0.166 -19.332 -2.460) 19.489 97.646 ( -0.022 2.149 0.669) 2.251 97.657 ( -0.443 2.025 0.734) 2.199 99.946 ( -0.285 0.117 -0.194) 0.364 99.977 ( -0.221 -0.167 0.211) 0.348 ======================= Grid point 332 (166/315) ======================= q-point: ( 0.18 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 1.802 4.780 4.976) 7.132 1.484 ( -4.230 11.144 7.550) 14.109 1.877 ( -2.472 -3.056 -0.235) 3.938 2.095 ( 0.072 8.198 -2.588) 8.597 2.202 ( 0.389 6.795 -4.021) 7.905 2.398 ( -3.324 -0.717 2.971) 4.516 3.468 ( 9.022 0.655 -0.560) 9.063 3.949 ( 14.074 -2.882 1.931) 14.495 4.750 ( -7.438 9.659 -7.479) 14.302 4.975 ( -4.237 4.526 -5.195) 8.088 6.053 ( -12.877 3.075 5.166) 14.212 6.422 ( -8.764 -4.252 11.035) 14.719 9.335 ( 3.039 35.261 -0.275) 35.393 11.185 ( -2.277 9.762 3.104) 10.493 12.821 ( 8.209 24.713 2.057) 26.122 13.730 ( 19.969 30.086 -5.328) 36.500 14.729 ( 3.077 -8.633 -0.662) 9.189 15.457 ( 17.387 -8.106 -4.577) 19.722 44.090 ( -0.306 -18.530 -1.931) 18.633 44.132 ( -0.031 -17.978 -2.456) 18.145 97.647 ( -0.107 2.120 0.643) 2.218 97.650 ( -0.507 2.034 0.717) 2.215 99.939 ( -0.403 0.067 -0.116) 0.425 99.972 ( -0.313 -0.298 0.210) 0.480 ======================= Grid point 333 (167/315) ======================= q-point: ( 0.27 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 3.586 2.474 3.457) 5.561 1.446 ( -1.906 9.067 7.694) 12.043 1.812 ( -4.500 -4.550 0.663) 6.434 2.108 ( 1.958 8.478 -2.640) 9.093 2.184 ( -0.802 3.583 -3.075) 4.789 2.339 ( -4.031 -2.337 5.105) 6.912 3.656 ( 10.725 -2.938 -0.213) 11.122 4.189 ( 10.093 -2.372 0.025) 10.368 4.599 ( -5.976 2.769 -3.831) 7.620 4.857 ( -6.837 1.792 -3.593) 7.929 5.832 ( -11.297 1.768 3.726) 12.026 6.289 ( -8.611 -7.813 10.795) 15.866 9.386 ( 2.118 36.557 0.618) 36.624 11.138 ( -3.257 9.953 2.029) 10.667 13.030 ( 12.392 28.755 1.539) 31.350 14.029 ( 13.114 36.311 -5.816) 39.042 14.783 ( 2.426 -7.445 -0.426) 7.842 15.801 ( 20.204 -8.649 -7.113) 23.100 44.078 ( -0.246 -18.241 -1.924) 18.343 44.123 ( -0.093 -16.828 -2.417) 17.001 97.643 ( -0.472 2.021 0.741) 2.204 97.646 ( -0.154 2.053 0.569) 2.136 99.932 ( -0.360 -0.027 -0.006) 0.361 99.967 ( -0.336 -0.474 0.188) 0.611 ======================= Grid point 334 (168/315) ======================= q-point: ( 0.36 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 1.911 2.388 6.590) 7.265 1.472 ( 3.079 2.756 0.121) 4.134 1.714 ( -5.843 -2.500 1.538) 6.539 2.095 ( -3.976 4.299 -1.113) 5.961 2.199 ( 3.659 3.312 -0.438) 4.955 2.293 ( -2.159 -2.382 6.117) 6.910 3.865 ( 11.312 -5.664 0.356) 12.656 4.294 ( 1.220 6.134 -2.688) 6.808 4.528 ( -1.640 -14.024 1.061) 14.159 4.709 ( -6.091 1.729 -3.226) 7.106 5.670 ( -6.901 0.951 3.379) 7.743 6.176 ( -6.585 -9.694 9.853) 15.310 9.417 ( 0.879 37.179 1.257) 37.210 11.083 ( -2.945 9.763 1.352) 10.287 13.264 ( 11.208 31.443 0.125) 33.381 14.186 ( 5.612 39.698 -5.490) 40.467 14.804 ( -0.224 -4.746 0.106) 4.753 16.136 ( 16.948 -8.388 -9.405) 21.120 44.070 ( 0.048 -17.581 -1.900) 17.683 44.114 ( -0.048 -16.023 -2.384) 16.200 97.637 ( -0.331 1.978 0.676) 2.116 97.645 ( -0.191 1.986 0.592) 2.081 99.926 ( -0.194 -0.135 0.108) 0.260 99.961 ( -0.282 -0.633 0.148) 0.709 ======================= Grid point 335 (169/315) ======================= q-point: ( 0.45 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -4.061 -3.140 -0.260) 5.140 1.526 ( 3.815 -1.899 3.084) 5.260 1.654 ( 0.690 5.095 2.391) 5.670 1.988 ( -6.723 0.630 2.232) 7.111 2.233 ( -0.960 4.669 1.972) 5.158 2.337 ( 4.664 -1.888 4.255) 6.590 4.068 ( 9.372 -7.714 -0.983) 12.178 4.257 ( -4.474 6.523 0.899) 7.961 4.449 ( -4.684 -10.319 -0.752) 11.357 4.704 ( 5.597 -6.946 -2.799) 9.349 5.590 ( -3.017 0.346 4.043) 5.056 6.112 ( -3.220 -10.428 9.198) 14.273 9.425 ( -0.496 37.623 1.550) 37.658 11.042 ( -1.679 9.349 0.950) 9.546 13.421 ( 4.749 32.075 -1.151) 32.445 14.217 ( -0.130 41.817 -4.956) 42.110 14.781 ( -2.095 -3.777 0.468) 4.344 16.345 ( 7.807 -7.749 -10.583) 15.264 44.068 ( 0.441 -17.009 -1.858) 17.115 44.107 ( 0.099 -15.563 -2.386) 15.745 97.635 ( -0.124 1.935 0.626) 2.038 97.643 ( -0.216 1.934 0.619) 2.042 99.925 ( 0.024 -0.213 0.190) 0.286 99.958 ( -0.153 -0.724 0.109) 0.748 ======================= Grid point 336 (170/315) ======================= q-point: (-0.45 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -7.521 -1.100 0.158) 7.603 1.625 ( 4.671 -1.554 4.257) 6.508 1.699 ( 0.869 2.504 1.275) 2.941 1.887 ( -3.489 -0.419 4.064) 5.373 2.213 ( -1.038 5.149 0.610) 5.288 2.432 ( 3.286 0.201 3.569) 4.856 4.120 ( -8.891 -5.806 2.298) 10.865 4.162 ( -0.019 -3.542 -4.200) 5.494 4.473 ( 6.772 3.381 1.861) 7.795 4.851 ( 11.266 -12.188 -5.835) 17.593 5.573 ( -0.441 -0.477 5.713) 5.750 6.118 ( 0.821 -10.453 9.550) 14.183 9.408 ( -1.817 38.035 1.514) 38.108 11.028 ( -0.115 8.923 0.815) 8.961 13.413 ( -5.402 31.175 -0.925) 31.653 14.166 ( -3.323 41.798 -5.054) 42.233 14.738 ( -2.339 -4.401 0.272) 4.992 16.349 ( -3.857 -7.776 -10.432) 13.571 44.074 ( 0.738 -16.664 -1.803) 16.778 44.103 ( 0.370 -15.610 -2.439) 15.803 97.637 ( 0.051 1.930 0.637) 2.033 97.641 ( -0.178 1.899 0.609) 2.002 99.928 ( 0.212 -0.224 0.196) 0.365 99.957 ( 0.033 -0.726 0.103) 0.734 ======================= Grid point 337 (171/315) ======================= q-point: (-0.36 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -4.074 4.513 2.002) 6.401 1.612 ( -7.906 4.619 8.106) 12.229 1.751 ( 5.348 -4.628 0.576) 7.096 1.908 ( 2.978 -2.883 1.518) 4.415 2.211 ( 1.352 7.641 -1.528) 7.909 2.472 ( -0.150 2.267 2.970) 3.739 3.939 ( -10.549 -5.164 0.715) 11.767 4.100 ( -4.557 -1.289 -2.351) 5.288 4.640 ( 9.088 7.192 0.435) 11.598 5.070 ( 13.203 -9.591 -10.400) 19.351 5.622 ( 4.133 -2.663 8.451) 9.777 6.199 ( 4.037 -9.786 11.055) 15.306 9.370 ( -2.572 38.138 1.243) 38.245 11.040 ( 0.974 8.632 1.059) 8.751 13.231 ( -12.751 29.086 0.802) 31.769 14.056 ( -6.919 39.002 -6.123) 40.082 14.697 ( -2.082 -5.860 -0.115) 6.220 16.145 ( -13.897 -8.604 -9.076) 18.696 44.083 ( 0.781 -16.163 -1.755) 16.277 44.106 ( 0.765 -16.626 -2.521) 16.833 97.637 ( -0.182 2.048 0.712) 2.176 97.643 ( 0.245 1.807 0.559) 1.907 99.934 ( 0.308 -0.160 0.108) 0.364 99.960 ( 0.232 -0.643 0.150) 0.700 ======================= Grid point 338 (172/315) ======================= q-point: (-0.27 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 1.803 9.523 3.523) 10.312 1.478 ( -8.329 5.727 9.272) 13.716 1.846 ( 4.262 -3.227 -0.103) 5.347 1.962 ( 2.257 -4.219 -0.405) 4.802 2.261 ( 4.332 9.264 -2.396) 10.504 2.449 ( -3.106 4.596 2.813) 6.219 3.723 ( -11.964 -1.959 -1.783) 12.253 3.993 ( -6.697 -0.464 1.059) 6.797 4.800 ( 8.350 10.038 -3.319) 13.472 5.218 ( 5.515 -1.123 -12.282) 13.510 5.813 ( 12.908 -4.881 8.384) 16.147 6.326 ( 5.054 -8.034 13.029) 16.120 9.324 ( -2.496 37.317 0.787) 37.408 11.067 ( 1.212 8.485 1.903) 8.779 12.983 ( -12.804 25.531 2.310) 28.656 13.851 ( -12.919 34.179 -6.858) 37.177 14.662 ( -1.455 -7.427 -0.389) 7.578 15.802 ( -18.716 -9.319 -6.896) 22.015 44.092 ( 0.717 -15.564 -1.800) 15.684 44.116 ( 1.029 -18.387 -2.520) 18.588 97.637 ( -0.128 2.116 0.701) 2.233 97.651 ( 0.311 1.814 0.615) 1.941 99.940 ( 0.327 -0.059 -0.028) 0.334 99.966 ( 0.346 -0.493 0.212) 0.639 ======================= Grid point 339 (173/315) ======================= q-point: (-0.18 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 3.302 10.607 4.600) 12.023 1.385 ( -2.781 8.733 8.532) 12.521 1.906 ( 2.248 -1.002 -0.662) 2.549 1.995 ( 2.065 -2.302 -2.871) 4.220 2.344 ( 4.395 9.475 -1.474) 10.548 2.382 ( -4.399 6.252 2.552) 8.059 3.502 ( -9.863 1.617 -2.266) 10.248 3.842 ( -10.069 -0.209 2.368) 10.346 4.933 ( 7.299 12.412 -6.691) 15.878 5.223 ( -0.295 3.902 -11.156) 11.822 6.105 ( 14.158 -0.843 5.666) 15.273 6.452 ( 3.203 -4.864 14.237) 15.382 9.283 ( -1.939 35.105 0.034) 35.159 11.096 ( 1.090 8.443 3.485) 9.198 12.803 ( -6.295 21.443 2.522) 22.490 13.532 ( -18.026 27.850 -6.258) 33.760 14.644 ( -0.168 -7.679 -0.524) 7.699 15.438 ( -16.962 -9.109 -4.593) 19.793 44.099 ( 0.676 -15.573 -1.888) 15.702 44.127 ( 0.984 -19.844 -2.462) 20.020 97.637 ( -0.018 2.170 0.704) 2.281 97.658 ( 0.203 1.849 0.665) 1.975 99.946 ( 0.296 0.036 -0.139) 0.329 99.973 ( 0.299 -0.322 0.234) 0.498 ======================= Grid point 340 (174/315) ======================= q-point: (-0.09 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -2.665 8.440 7.560) 11.640 1.470 ( 5.638 11.539 3.863) 13.411 1.931 ( 0.742 0.971 -0.381) 1.279 2.031 ( 3.445 1.294 -5.177) 6.352 2.289 ( -5.633 9.280 4.357) 11.698 2.420 ( 3.360 7.308 -2.236) 8.349 3.367 ( -3.489 3.736 -0.929) 5.196 3.639 ( -11.223 0.776 2.078) 11.440 5.028 ( 5.128 13.797 -8.816) 17.158 5.156 ( -2.876 6.625 -10.361) 12.630 6.338 ( 7.557 4.139 5.518) 10.231 6.526 ( 0.157 -0.945 13.482) 13.516 9.253 ( -0.976 32.376 -0.939) 32.405 11.132 ( 1.262 8.528 5.183) 10.059 12.781 ( 3.313 18.626 1.148) 18.953 13.173 ( -16.791 22.260 -4.058) 28.177 14.652 ( 1.102 -5.608 -0.613) 5.748 15.166 ( -9.759 -9.378 -2.869) 13.835 44.105 ( 0.514 -16.161 -1.952) 16.287 44.136 ( 0.769 -20.597 -2.416) 20.752 97.640 ( 0.058 2.182 0.709) 2.295 97.662 ( -0.017 1.909 0.700) 2.034 99.950 ( 0.175 0.097 -0.204) 0.286 99.978 ( 0.129 -0.187 0.222) 0.318 ======================= Grid point 341 (175/315) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -1.560 8.945 2.420) 9.397 1.725 ( 1.111 6.986 1.219) 7.178 1.913 ( -0.607 -2.152 -1.623) 2.764 2.079 ( 5.010 -3.635 -3.923) 7.328 2.426 ( -2.661 10.291 1.591) 10.748 2.576 ( -1.522 5.327 0.329) 5.550 3.425 ( -1.057 4.149 1.148) 4.433 3.535 ( 0.414 0.366 1.513) 1.611 5.176 ( -2.918 4.252 -9.223) 10.567 5.235 ( -0.328 4.821 -11.491) 12.466 6.483 ( -5.047 5.326 13.203) 15.104 6.619 ( -0.674 2.498 9.744) 10.081 9.879 ( 1.338 32.371 0.483) 32.402 11.207 ( 1.350 -5.701 5.902) 8.316 13.186 ( -3.468 17.542 -1.118) 17.916 13.366 ( 8.661 14.098 -0.809) 16.566 14.616 ( 0.606 -1.823 -0.484) 1.981 14.868 ( 1.735 -10.671 -1.880) 10.974 43.782 ( 0.027 -13.673 -3.074) 14.014 43.822 ( 0.546 -13.155 -2.581) 13.417 97.682 ( 0.022 1.698 0.686) 1.831 97.695 ( -0.188 1.343 0.698) 1.525 99.954 ( -0.046 0.232 -0.168) 0.290 99.975 ( -0.061 -0.314 0.190) 0.372 ======================= Grid point 342 (176/315) ======================= q-point: ( 0.09 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -1.589 7.689 2.100) 8.127 1.717 ( -2.344 5.705 1.598) 6.372 1.887 ( -1.824 -0.617 -0.514) 1.993 2.132 ( 1.817 -3.014 -3.120) 4.703 2.383 ( -2.213 9.230 -0.340) 9.497 2.518 ( -4.433 4.076 1.224) 6.145 3.427 ( 2.158 4.691 0.634) 5.202 3.654 ( 9.527 -2.112 2.026) 9.967 5.068 ( -5.603 5.302 -8.612) 11.561 5.155 ( -4.380 2.941 -9.376) 10.759 6.353 ( -12.150 5.226 11.709) 17.665 6.542 ( -10.013 0.108 9.930) 14.103 9.936 ( 4.015 33.177 0.472) 33.423 11.245 ( 0.535 -4.868 4.891) 6.921 13.152 ( 2.822 20.848 0.985) 21.061 13.704 ( 23.893 12.006 -3.056) 26.914 14.602 ( -0.419 -1.438 -0.488) 1.576 15.018 ( 12.928 -9.308 -2.553) 16.134 43.774 ( 0.171 -13.421 -2.948) 13.742 43.824 ( 0.570 -13.328 -2.643) 13.600 97.684 ( -0.076 1.636 0.665) 1.768 97.691 ( -0.383 1.420 0.702) 1.630 99.950 ( -0.315 0.231 -0.145) 0.417 99.972 ( -0.302 -0.352 0.187) 0.500 ======================= Grid point 343 (177/315) ======================= q-point: ( 0.18 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -0.279 5.601 2.409) 6.104 1.658 ( -4.193 4.786 2.646) 6.892 1.836 ( -3.778 0.515 1.726) 4.186 2.141 ( 0.245 -2.762 -1.640) 3.222 2.334 ( -2.729 6.920 -1.628) 7.615 2.434 ( -4.478 3.182 1.512) 5.698 3.508 ( 5.710 3.487 0.176) 6.693 3.861 ( 10.948 -5.852 2.060) 12.584 4.904 ( -9.146 6.000 -7.404) 13.209 5.026 ( -6.537 1.048 -5.870) 8.848 6.124 ( -14.680 4.076 8.676) 17.532 6.348 ( -12.834 -3.507 10.455) 16.921 10.012 ( 3.535 33.279 0.665) 33.473 11.249 ( -1.464 -3.545 3.354) 5.095 13.302 ( 11.689 23.907 2.031) 26.689 14.179 ( 26.136 10.528 -4.781) 28.580 14.619 ( 2.495 2.078 -0.980) 3.392 15.298 ( 17.434 -8.399 -4.204) 19.803 43.771 ( 0.397 -12.906 -2.748) 13.201 43.826 ( 0.567 -13.187 -2.659) 13.464 97.683 ( -0.179 1.545 0.615) 1.673 97.685 ( -0.485 1.484 0.709) 1.714 99.942 ( -0.473 0.198 -0.086) 0.520 99.965 ( -0.455 -0.448 0.181) 0.663 ======================= Grid point 344 (178/315) ======================= q-point: ( 0.27 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 1.206 3.031 2.547) 4.139 1.587 ( -4.120 3.304 2.874) 6.012 1.764 ( -4.358 1.380 3.998) 6.073 2.130 ( -1.717 -5.209 1.126) 5.599 2.278 ( -2.035 6.578 -1.645) 7.080 2.369 ( -2.799 3.223 1.164) 4.425 3.631 ( 7.080 0.884 0.646) 7.164 4.054 ( 8.362 -9.671 1.410) 12.863 4.693 ( -10.650 5.603 -4.046) 12.696 4.874 ( -7.962 -0.163 -3.577) 8.730 5.884 ( -12.462 3.342 5.846) 14.165 6.153 ( -10.792 -6.188 9.620) 15.726 10.067 ( 1.970 32.582 1.025) 32.658 11.215 ( -2.822 -2.451 2.173) 4.324 13.566 ( 14.573 25.539 1.505) 29.443 14.582 ( 14.199 -2.601 -2.409) 14.635 14.698 ( 8.700 20.744 -4.423) 22.925 15.636 ( 19.672 -8.571 -6.581) 22.445 43.772 ( 0.619 -12.268 -2.534) 12.542 43.829 ( 0.559 -12.814 -2.625) 13.092 97.678 ( -0.470 1.510 0.649) 1.709 97.681 ( -0.248 1.452 0.620) 1.598 99.932 ( -0.460 0.130 0.003) 0.478 99.957 ( -0.485 -0.566 0.159) 0.762 ======================= Grid point 345 (179/315) ======================= q-point: ( 0.36 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.518 0.263 2.229) 2.303 1.515 ( -4.549 -0.349 1.182) 4.713 1.726 ( -0.681 4.098 6.244) 7.500 2.071 ( -5.244 -5.134 4.170) 8.441 2.273 ( 2.128 4.956 -0.829) 5.457 2.334 ( -1.413 3.408 1.108) 3.852 3.776 ( 7.915 -2.627 1.349) 8.448 4.167 ( 2.630 -13.869 0.757) 14.136 4.500 ( -8.198 6.093 -1.068) 10.270 4.721 ( -6.414 -0.577 -2.057) 6.760 5.709 ( -7.557 2.978 4.103) 9.100 6.008 ( -7.335 -7.512 7.997) 13.198 10.095 ( 0.673 31.722 1.370) 31.758 11.165 ( -2.861 -1.725 1.418) 3.630 13.822 ( 11.368 25.165 0.124) 27.613 14.689 ( 2.058 -6.360 -0.217) 6.688 14.895 ( 9.245 31.142 -6.475) 33.125 15.968 ( 16.945 -9.198 -8.907) 21.238 43.777 ( 0.764 -11.700 -2.355) 11.960 43.831 ( 0.532 -12.345 -2.571) 12.621 97.672 ( -0.355 1.506 0.618) 1.666 97.678 ( -0.263 1.369 0.600) 1.517 99.925 ( -0.292 0.042 0.099) 0.311 99.949 ( -0.382 -0.658 0.124) 0.771 ======================= Grid point 346 (180/315) ======================= q-point: ( 0.45 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -5.017 -1.679 -0.468) 5.311 1.480 ( 1.312 -2.524 3.587) 4.578 1.765 ( 1.822 5.447 5.400) 7.883 1.973 ( -6.531 -1.984 5.905) 9.026 2.317 ( -0.468 3.680 0.901) 3.817 2.345 ( 4.697 1.916 0.966) 5.164 3.925 ( 6.695 -6.132 0.876) 9.121 4.135 ( -5.866 -13.682 2.016) 15.022 4.424 ( 1.244 5.743 -0.732) 5.921 4.649 ( -0.221 -1.629 -1.328) 2.113 5.620 ( -3.407 2.644 3.614) 5.627 5.930 ( -3.305 -8.114 6.987) 11.206 10.102 ( -0.429 31.187 1.556) 31.228 11.123 ( -1.866 -1.401 0.971) 2.528 13.968 ( 3.709 23.595 -1.023) 23.906 14.696 ( -1.237 -4.905 -0.139) 5.060 14.973 ( 1.582 34.487 -6.223) 35.080 16.179 ( 7.747 -9.714 -10.080) 15.999 43.785 ( 0.791 -11.379 -2.247) 11.626 43.832 ( 0.472 -11.931 -2.539) 12.207 97.669 ( -0.161 1.474 0.588) 1.595 97.675 ( -0.238 1.328 0.600) 1.476 99.923 ( -0.032 -0.038 0.169) 0.176 99.944 ( -0.173 -0.690 0.091) 0.717 ======================= Grid point 347 (181/315) ======================= q-point: (-0.45 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -2.886 1.041 1.244) 3.310 1.543 ( 4.272 -4.848 2.577) 6.957 1.789 ( -2.424 4.473 4.860) 7.036 1.880 ( -4.050 -0.227 6.095) 7.321 2.320 ( 0.997 5.188 -0.350) 5.294 2.441 ( 4.326 0.431 2.021) 4.794 3.962 ( -4.652 -7.147 0.868) 8.572 4.059 ( -0.745 -8.044 1.315) 8.185 4.530 ( 9.551 3.068 0.804) 10.063 4.711 ( 7.719 -3.568 -3.458) 9.180 5.596 ( -0.616 2.597 4.361) 5.113 5.931 ( 1.006 -8.618 7.408) 11.409 10.089 ( -1.484 31.208 1.534) 31.281 11.104 ( -0.461 -1.504 0.831) 1.779 13.942 ( -6.171 22.686 -0.877) 23.527 14.641 ( -4.553 -4.837 0.011) 6.643 14.932 ( -3.481 34.762 -6.603) 35.554 16.180 ( -4.347 -10.085 -9.913) 14.794 43.792 ( 0.712 -11.401 -2.225) 11.638 43.832 ( 0.377 -11.701 -2.560) 11.984 97.670 ( 0.054 1.421 0.586) 1.539 97.673 ( -0.180 1.348 0.602) 1.487 99.925 ( 0.226 -0.078 0.177) 0.297 99.943 ( 0.090 -0.657 0.083) 0.668 ======================= Grid point 348 (182/315) ======================= q-point: (-0.36 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 1.253 5.502 2.451) 6.153 1.649 ( 5.734 -5.289 2.457) 8.178 1.700 ( -7.114 4.087 6.971) 10.766 1.867 ( 0.016 -1.627 2.215) 2.749 2.357 ( 3.130 6.696 -1.152) 7.480 2.507 ( 1.963 1.164 1.828) 2.924 3.849 ( -6.900 -3.276 1.155) 7.725 4.028 ( -3.369 -5.800 0.424) 6.721 4.750 ( 12.049 4.104 -0.064) 12.729 4.919 ( 15.697 -5.384 -7.359) 18.153 5.630 ( 2.884 2.835 6.858) 7.962 6.014 ( 4.898 -8.985 9.433) 13.918 10.057 ( -2.361 31.713 1.344) 31.830 11.109 ( 0.547 -1.968 1.108) 2.324 13.744 ( -14.014 22.907 0.595) 26.860 14.523 ( -8.137 -3.816 -0.942) 9.036 14.810 ( -6.897 29.154 -6.372) 30.629 15.966 ( -14.494 -10.199 -8.565) 19.684 43.798 ( 0.582 -11.769 -2.296) 12.005 43.830 ( 0.264 -11.710 -2.626) 12.003 97.672 ( -0.102 1.453 0.647) 1.594 97.675 ( 0.227 1.336 0.571) 1.470 99.931 ( 0.388 -0.052 0.099) 0.404 99.947 ( 0.346 -0.580 0.124) 0.687 ======================= Grid point 349 (183/315) ======================= q-point: (-0.27 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 4.866 8.839 2.757) 10.460 1.591 ( -6.106 5.665 7.675) 11.326 1.770 ( 5.844 -4.314 0.950) 7.325 1.882 ( 1.296 -4.092 0.058) 4.292 2.425 ( 4.325 7.149 -1.528) 8.494 2.527 ( -0.285 3.168 1.649) 3.583 3.708 ( -8.126 0.654 -0.387) 8.162 3.942 ( -6.042 -4.313 1.806) 7.640 4.958 ( 10.861 6.170 -5.294) 13.566 5.177 ( 11.893 -2.844 -10.803) 16.317 5.788 ( 11.991 2.142 10.900) 16.346 6.169 ( 7.610 -8.048 12.193) 16.473 10.009 ( -3.091 32.254 1.074) 32.420 11.127 ( 0.668 -2.734 1.987) 3.445 13.458 ( -15.478 22.538 2.092) 27.421 14.302 ( -15.217 2.833 -3.732) 15.922 14.661 ( -6.203 15.750 -3.730) 17.334 15.618 ( -18.715 -9.902 -6.407) 22.121 43.800 ( 0.440 -12.417 -2.483) 12.671 43.826 ( 0.185 -11.903 -2.667) 12.200 97.673 ( -0.020 1.564 0.649) 1.693 97.682 ( 0.298 1.285 0.621) 1.458 99.939 ( 0.432 0.030 -0.021) 0.433 99.956 ( 0.488 -0.491 0.184) 0.717 ======================= Grid point 350 (184/315) ======================= q-point: (-0.18 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -0.041 8.676 3.453) 9.338 1.559 ( 3.162 8.494 5.027) 10.364 1.868 ( 4.124 -2.792 0.291) 4.988 1.917 ( 2.769 -5.180 -2.063) 6.226 2.496 ( 2.071 6.321 -1.486) 6.815 2.519 ( 0.304 6.255 1.937) 6.555 3.554 ( -7.391 3.596 -0.947) 8.274 3.809 ( -8.855 -3.041 2.391) 9.663 5.121 ( 8.588 7.060 -9.232) 14.450 5.274 ( 3.074 1.294 -11.084) 11.575 6.119 ( 17.147 2.264 10.823) 20.403 6.361 ( 7.735 -4.538 13.953) 16.586 9.948 ( -3.594 32.304 0.808) 32.513 11.145 ( 0.383 -3.872 3.585) 5.290 13.219 ( -9.525 20.681 2.449) 22.901 13.934 ( -21.138 9.524 -4.948) 23.706 14.574 ( -2.033 3.607 -1.306) 4.341 15.259 ( -16.802 -9.460 -4.234) 19.742 43.798 ( 0.244 -13.162 -2.800) 13.459 43.822 ( 0.255 -12.209 -2.595) 12.485 97.676 ( 0.051 1.665 0.666) 1.794 97.689 ( 0.227 1.261 0.660) 1.441 99.947 ( 0.380 0.128 -0.111) 0.416 99.966 ( 0.431 -0.405 0.206) 0.627 ======================= Grid point 351 (185/315) ======================= q-point: (-0.09 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -1.527 9.023 3.449) 9.780 1.665 ( 4.668 8.312 2.217) 9.788 1.915 ( 1.051 -2.739 -0.910) 3.072 1.986 ( 5.399 -4.021 -3.530) 7.601 2.471 ( -2.539 8.537 1.767) 9.080 2.568 ( 2.174 6.185 -0.349) 6.565 3.448 ( -3.106 4.422 -0.073) 5.404 3.637 ( -9.234 -0.976 2.052) 9.510 5.212 ( 3.800 5.520 -10.778) 12.692 5.261 ( 0.019 4.092 -10.646) 11.406 6.420 ( 8.824 4.064 11.325) 14.921 6.525 ( 5.166 0.462 12.614) 13.639 9.889 ( -2.394 32.031 0.607) 32.126 11.168 ( 0.734 -5.193 5.327) 7.476 13.143 ( 1.184 17.989 1.210) 18.069 13.533 ( -18.141 13.121 -3.419) 22.648 14.575 ( 2.158 -1.497 -0.515) 2.677 14.979 ( -11.067 -9.689 -2.620) 14.941 43.791 ( 0.046 -13.608 -3.051) 13.946 43.820 ( 0.441 -12.700 -2.531) 12.958 97.679 ( 0.071 1.713 0.683) 1.845 97.694 ( 0.043 1.282 0.686) 1.454 99.952 ( 0.216 0.200 -0.156) 0.333 99.973 ( 0.214 -0.339 0.199) 0.448 ======================= Grid point 352 (186/315) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -1.654 8.447 -0.809) 8.645 1.758 ( -1.584 -4.704 -1.742) 5.261 1.915 ( 2.877 3.773 -0.285) 4.754 2.000 ( 4.182 -4.285 -1.264) 6.119 2.581 ( -2.252 5.386 0.431) 5.854 2.632 ( -2.154 0.202 0.425) 2.205 3.493 ( -0.625 2.717 1.402) 3.120 3.530 ( -0.246 -1.015 1.548) 1.867 5.240 ( -2.230 2.490 -10.209) 10.742 5.271 ( -1.529 -0.404 -11.323) 11.432 6.582 ( -3.812 4.357 13.302) 14.507 6.637 ( -2.148 -0.935 11.625) 11.859 10.482 ( 1.662 28.432 2.663) 28.605 10.957 ( 1.639 -19.299 4.661) 19.921 13.470 ( 0.294 10.254 -0.846) 10.293 13.544 ( 5.162 3.100 -0.590) 6.051 14.605 ( 1.045 1.216 -0.695) 1.747 14.686 ( 1.693 -7.193 -1.363) 7.514 43.608 ( 0.181 -3.853 -3.269) 5.056 43.630 ( 0.345 -5.878 -3.093) 6.651 97.707 ( -0.033 0.781 0.687) 1.041 97.711 ( -0.107 0.333 0.691) 0.775 99.960 ( -0.048 0.368 -0.054) 0.375 99.967 ( -0.054 -0.412 0.084) 0.424 ======================= Grid point 353 (187/315) ======================= q-point: ( 0.09 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -2.629 7.621 -0.752) 8.097 1.706 ( -3.168 -5.255 -1.737) 6.377 1.947 ( 0.271 5.486 0.957) 5.576 2.052 ( 1.467 -4.892 -0.664) 5.150 2.521 ( -3.909 4.731 -0.230) 6.141 2.565 ( -4.743 0.278 0.434) 4.771 3.518 ( 3.036 4.486 1.171) 5.542 3.598 ( 5.891 -3.542 1.679) 7.076 5.141 ( -5.057 2.570 -8.888) 10.544 5.174 ( -5.159 -0.658 -9.589) 10.909 6.453 ( -13.171 4.673 12.320) 18.631 6.523 ( -12.673 -2.263 11.177) 17.048 10.545 ( 3.599 28.325 2.267) 28.643 11.011 ( 2.157 -18.550 3.909) 19.080 13.527 ( 7.348 16.694 0.430) 18.245 13.763 ( 15.919 -5.888 -1.063) 17.006 14.660 ( 6.500 7.121 -1.548) 9.765 14.833 ( 12.642 -9.549 -2.288) 16.007 43.604 ( 0.520 -3.677 -3.193) 4.898 43.630 ( 0.614 -6.022 -3.068) 6.786 97.707 ( -0.176 0.694 0.674) 0.983 97.710 ( -0.287 0.426 0.686) 0.857 99.956 ( -0.340 0.378 -0.041) 0.510 99.964 ( -0.341 -0.437 0.087) 0.562 ======================= Grid point 354 (188/315) ======================= q-point: ( 0.18 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -2.214 6.091 0.238) 6.486 1.636 ( -3.629 -4.765 -0.790) 6.041 1.927 ( -2.992 6.645 3.250) 7.979 2.051 ( -1.552 -5.735 1.303) 6.083 2.442 ( -3.938 3.757 -0.933) 5.522 2.475 ( -4.380 0.432 -0.131) 4.403 3.602 ( 4.975 6.008 0.990) 7.863 3.732 ( 7.143 -6.989 1.644) 10.128 4.989 ( -8.512 2.930 -6.969) 11.384 5.026 ( -7.648 -0.953 -6.420) 10.031 6.206 ( -15.760 4.059 10.246) 19.231 6.280 ( -15.339 -3.550 10.448) 18.896 10.610 ( 2.255 27.121 1.738) 27.270 11.046 ( 0.273 -16.878 2.752) 17.103 13.739 ( 13.861 20.411 1.234) 24.703 14.084 ( 16.912 -14.111 -0.476) 22.031 14.851 ( 14.348 15.279 -4.071) 21.352 15.112 ( 17.428 -11.155 -4.280) 21.130 43.608 ( 0.852 -3.489 -3.018) 4.691 43.634 ( 0.845 -5.973 -2.970) 6.724 97.705 ( -0.295 0.584 0.633) 0.911 97.705 ( -0.403 0.525 0.680) 0.949 99.947 ( -0.522 0.374 -0.006) 0.642 99.956 ( -0.524 -0.481 0.096) 0.718 ======================= Grid point 355 (189/315) ======================= q-point: ( 0.27 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -1.508 3.675 1.393) 4.209 1.566 ( -3.830 -3.356 0.306) 5.102 1.868 ( -4.046 7.185 5.424) 9.870 2.008 ( -3.551 -6.849 3.784) 8.593 2.379 ( -2.261 3.432 -1.113) 4.258 2.408 ( -2.510 0.394 -0.467) 2.583 3.699 ( 4.688 6.042 1.380) 7.771 3.857 ( 5.093 -9.687 1.609) 11.061 4.790 ( -10.094 4.108 -3.764) 11.530 4.851 ( -8.914 -2.115 -3.564) 9.830 5.958 ( -12.810 4.115 7.428) 15.369 6.045 ( -12.232 -4.899 8.562) 15.714 10.639 ( 0.465 25.432 1.467) 25.479 11.041 ( -1.415 -15.141 1.907) 15.326 14.015 ( 14.001 20.260 0.899) 24.643 14.357 ( 11.617 -14.739 0.066) 18.767 15.145 ( 17.310 19.150 -6.478) 26.614 15.443 ( 18.868 -11.862 -6.445) 23.200 43.617 ( 1.061 -3.335 -2.805) 4.485 43.642 ( 0.974 -5.762 -2.825) 6.491 97.699 ( -0.427 0.606 0.624) 0.969 97.701 ( -0.348 0.477 0.627) 0.861 99.937 ( -0.532 0.347 0.045) 0.637 99.946 ( -0.549 -0.520 0.104) 0.764 ======================= Grid point 356 (190/315) ======================= q-point: ( 0.36 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -2.341 0.859 1.803) 3.077 1.489 ( -4.586 -1.553 1.244) 4.999 1.836 ( -1.077 6.250 6.750) 9.262 1.957 ( -3.097 -6.117 5.924) 9.061 2.354 ( -0.008 2.839 -0.721) 2.929 2.376 ( -0.838 0.615 -0.186) 1.056 3.784 ( 3.807 3.730 2.015) 5.698 3.923 ( 1.225 -10.237 1.754) 10.458 4.611 ( -7.346 4.905 -1.297) 8.928 4.687 ( -6.921 -2.840 -1.501) 7.630 5.782 ( -7.858 4.352 5.097) 10.328 5.880 ( -7.754 -5.716 6.365) 11.547 10.642 ( -0.491 23.857 1.373) 23.901 11.013 ( -1.905 -13.682 1.392) 13.884 14.240 ( 9.066 17.634 -0.077) 19.829 14.518 ( 5.583 -11.135 -0.205) 12.458 15.415 ( 12.617 21.678 -7.400) 26.151 15.753 ( 15.450 -13.461 -8.189) 22.067 43.629 ( 1.077 -3.245 -2.619) 4.306 43.652 ( 0.954 -5.478 -2.683) 6.174 97.694 ( -0.354 0.644 0.596) 0.946 97.696 ( -0.322 0.407 0.596) 0.790 99.928 ( -0.372 0.296 0.098) 0.485 99.937 ( -0.410 -0.533 0.106) 0.681 ======================= Grid point 357 (191/315) ======================= q-point: ( 0.45 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -3.498 0.589 1.102) 3.714 1.434 ( -1.375 -1.990 2.673) 3.605 1.857 ( 0.198 3.968 6.833) 7.904 1.923 ( -3.171 -2.935 7.165) 8.367 2.371 ( 1.165 1.705 0.023) 2.065 2.379 ( 1.891 0.909 -0.066) 2.099 3.855 ( 2.791 -0.481 2.206) 3.590 3.921 ( -1.591 -7.387 2.350) 7.914 4.529 ( -0.649 4.662 -0.501) 4.734 4.604 ( -1.024 -3.063 -0.700) 3.305 5.690 ( -3.537 4.406 4.035) 6.943 5.792 ( -3.457 -6.087 5.170) 8.702 10.633 ( -0.902 22.826 1.321) 22.882 10.984 ( -1.520 -12.764 1.090) 12.900 14.343 ( 1.815 14.999 -0.846) 15.132 14.569 ( -0.060 -8.548 -0.525) 8.564 15.553 ( 4.281 24.577 -7.674) 26.101 15.940 ( 6.530 -15.393 -9.015) 18.996 43.640 ( 0.896 -3.237 -2.509) 4.192 43.660 ( 0.777 -5.220 -2.596) 5.882 97.690 ( -0.203 0.632 0.574) 0.878 97.693 ( -0.233 0.391 0.581) 0.738 99.924 ( -0.096 0.232 0.135) 0.285 99.932 ( -0.150 -0.508 0.103) 0.539 ======================= Grid point 358 (192/315) ======================= q-point: (-0.45 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 0.428 3.049 1.979) 3.660 1.453 ( 2.623 -4.254 2.396) 5.543 1.853 ( -3.695 2.076 6.294) 7.588 1.876 ( -3.528 -0.450 6.470) 7.383 2.402 ( 2.554 3.077 -0.161) 4.002 2.439 ( 3.780 -0.799 0.723) 3.930 3.874 ( -1.869 -1.406 2.176) 3.194 3.915 ( 0.347 -5.411 2.275) 5.880 4.595 ( 7.948 3.352 -0.444) 8.638 4.655 ( 6.912 -2.795 -1.595) 7.625 5.669 ( -0.126 4.801 4.487) 6.573 5.782 ( 0.549 -6.675 5.581) 8.718 10.618 ( -1.133 22.648 1.280) 22.712 10.965 ( -0.788 -12.629 0.998) 12.693 14.301 ( -5.974 14.259 -0.800) 15.480 14.516 ( -5.284 -8.222 -0.519) 9.788 15.525 ( -4.503 25.469 -7.753) 27.001 15.929 ( -4.635 -16.177 -8.928) 19.049 43.646 ( 0.585 -3.320 -2.503) 4.199 43.664 ( 0.491 -5.062 -2.600) 5.712 97.690 ( -0.018 0.571 0.572) 0.808 97.691 ( -0.107 0.440 0.584) 0.739 99.926 ( 0.204 0.174 0.139) 0.302 99.932 ( 0.153 -0.451 0.100) 0.487 ======================= Grid point 359 (193/315) ======================= q-point: (-0.36 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 4.606 5.527 2.420) 7.591 1.544 ( 5.888 -5.413 2.289) 8.319 1.775 ( -5.599 3.423 6.088) 8.951 1.831 ( -3.080 -2.282 4.042) 5.571 2.462 ( 3.648 3.957 -0.334) 5.393 2.510 ( 3.256 -1.026 0.692) 3.484 3.830 ( -3.420 1.554 1.858) 4.191 3.906 ( -2.190 -5.786 1.616) 6.394 4.808 ( 13.698 2.194 -1.863) 13.997 4.849 ( 14.357 -2.360 -4.577) 15.253 5.717 ( 3.658 5.828 6.946) 9.777 5.850 ( 4.641 -7.669 7.954) 11.985 10.598 ( -1.436 23.352 1.284) 23.431 10.959 ( -0.316 -13.288 1.184) 13.345 14.121 ( -12.546 15.769 0.084) 20.151 14.371 ( -9.796 -10.154 -0.309) 14.112 15.346 ( -11.516 23.511 -7.482) 27.229 15.723 ( -13.781 -15.320 -8.008) 22.107 43.646 ( 0.252 -3.490 -2.604) 4.362 43.662 ( 0.190 -5.030 -2.692) 5.709 97.692 ( 0.020 0.544 0.599) 0.809 97.693 ( 0.141 0.474 0.592) 0.772 99.932 ( 0.427 0.156 0.098) 0.465 99.938 ( 0.414 -0.397 0.106) 0.584 ======================= Grid point 360 (194/315) ======================= q-point: (-0.27 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 6.435 7.009 2.170) 9.759 1.668 ( 4.754 -3.600 3.225) 6.779 1.706 ( -1.724 3.504 3.418) 5.190 1.798 ( -1.232 -4.631 2.187) 5.267 2.531 ( 3.642 3.548 -0.617) 5.122 2.563 ( 2.115 0.227 0.441) 2.173 3.751 ( -5.438 3.681 0.878) 6.625 3.843 ( -4.973 -5.353 1.643) 7.489 5.052 ( 12.803 3.742 -6.950) 15.040 5.117 ( 13.889 -3.166 -8.586) 16.632 5.876 ( 10.787 6.217 11.576) 17.000 6.014 ( 9.554 -7.649 11.766) 16.977 10.569 ( -2.149 24.620 1.416) 24.755 10.956 ( -0.612 -14.556 1.766) 14.675 13.853 ( -15.140 17.740 1.116) 23.349 14.150 ( -13.234 -12.621 -0.243) 18.289 15.068 ( -14.756 19.911 -6.330) 25.579 15.394 ( -17.621 -13.579 -6.346) 23.134 43.640 ( -0.000 -3.711 -2.794) 4.645 43.655 ( -0.017 -5.117 -2.830) 5.848 97.695 ( 0.110 0.669 0.627) 0.924 97.698 ( 0.224 0.371 0.624) 0.760 99.942 ( 0.514 0.203 0.034) 0.553 99.947 ( 0.543 -0.382 0.115) 0.674 ======================= Grid point 361 (195/315) ======================= q-point: (-0.18 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 0.185 7.669 1.725) 7.863 1.702 ( 4.481 5.800 2.881) 7.875 1.787 ( 2.836 -5.606 0.040) 6.283 1.815 ( 4.162 -4.763 0.675) 6.361 2.588 ( 1.931 2.817 -0.489) 3.450 2.599 ( 2.169 1.784 0.417) 2.839 3.637 ( -6.419 4.775 0.439) 8.012 3.732 ( -7.167 -4.611 1.638) 8.678 5.223 ( 7.940 3.687 -10.587) 13.737 5.272 ( 6.077 -1.395 -11.204) 12.822 6.185 ( 16.174 4.185 13.610) 21.549 6.272 ( 12.534 -4.527 14.061) 19.372 10.524 ( -3.030 26.074 1.813) 26.312 10.945 ( -1.311 -16.323 2.867) 16.625 13.596 ( -11.487 17.496 1.397) 20.976 13.884 ( -14.313 -11.022 -0.760) 18.081 14.789 ( -12.017 14.526 -3.934) 19.258 15.053 ( -15.961 -11.924 -4.280) 20.378 43.629 ( -0.113 -3.896 -3.026) 4.934 43.645 ( -0.046 -5.314 -2.957) 6.081 97.700 ( 0.136 0.772 0.656) 1.022 97.705 ( 0.201 0.298 0.658) 0.750 99.951 ( 0.453 0.280 -0.016) 0.532 99.958 ( 0.481 -0.394 0.107) 0.631 ======================= Grid point 362 (196/315) ======================= q-point: (-0.09 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -0.464 8.516 0.327) 8.534 1.769 ( 1.016 -1.406 -0.058) 1.736 1.845 ( 4.308 0.038 -0.617) 4.352 1.912 ( 5.171 -3.755 -0.438) 6.405 2.602 ( -0.184 4.481 0.451) 4.507 2.638 ( 1.239 0.863 0.128) 1.515 3.533 ( -4.272 4.050 0.827) 5.944 3.600 ( -6.568 -2.740 1.584) 7.290 5.282 ( 1.932 2.238 -11.204) 11.588 5.303 ( 1.747 0.273 -11.557) 11.691 6.490 ( 9.383 2.894 13.532) 16.719 6.526 ( 8.665 -0.738 13.073) 15.701 10.478 ( -2.012 27.477 2.414) 27.656 10.934 ( -0.651 -18.302 4.167) 18.782 13.461 ( -2.671 13.679 0.522) 13.947 13.636 ( -10.610 -2.856 -1.260) 11.060 14.623 ( -4.230 6.386 -1.517) 7.808 14.789 ( -10.300 -9.611 -2.321) 14.278 43.617 ( -0.053 -3.946 -3.210) 5.087 43.636 ( 0.100 -5.600 -3.048) 6.377 97.704 ( 0.084 0.813 0.679) 1.062 97.710 ( 0.076 0.284 0.682) 0.742 99.958 ( 0.249 0.339 -0.045) 0.423 99.965 ( 0.254 -0.403 0.092) 0.485 ======================= Grid point 429 (197/315) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 0.640 0.000 11.388) 11.406 0.910 ( 1.413 0.000 10.074) 10.172 1.314 ( -0.039 0.000 -7.598) 7.598 1.638 ( -2.088 0.000 16.844) 16.973 1.699 ( -0.586 0.000 -4.634) 4.670 2.805 ( -5.980 0.000 0.782) 6.030 3.177 ( -2.980 0.000 0.514) 3.024 3.181 ( -0.050 0.000 3.341) 3.342 3.481 ( 6.012 0.000 -0.737) 6.057 3.557 ( 0.057 0.000 -2.450) 2.451 6.105 ( -3.431 0.000 -2.490) 4.239 7.096 ( 1.160 0.000 1.904) 2.230 7.585 ( -0.325 0.000 1.705) 1.736 10.059 ( -0.716 0.000 -1.609) 1.761 11.773 ( -1.379 0.000 -0.809) 1.599 11.893 ( 1.188 0.000 0.731) 1.395 14.940 ( 3.082 0.000 -0.479) 3.119 15.458 ( -0.547 0.000 -1.939) 2.015 44.985 ( 0.617 0.000 0.783) 0.997 45.446 ( 0.375 0.000 -1.803) 1.842 97.547 ( -0.030 0.000 0.370) 0.372 97.571 ( -0.287 0.000 0.284) 0.404 99.935 ( -0.099 0.000 0.193) 0.217 99.971 ( -0.023 0.000 -0.180) 0.182 ======================= Grid point 430 (198/315) ======================= q-point: ( 0.09 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 6.451 0.000 8.617) 10.764 1.094 ( 13.077 0.000 9.570) 16.205 1.321 ( 3.204 0.000 -6.733) 7.456 1.497 ( -7.515 0.000 3.605) 8.335 1.940 ( 15.656 0.000 6.344) 16.892 2.607 ( -9.689 0.000 1.747) 9.845 3.229 ( 3.981 0.000 2.943) 4.951 3.348 ( 19.392 0.000 -3.128) 19.643 3.580 ( 3.226 0.000 -2.218) 3.914 3.856 ( 27.379 0.000 -1.475) 27.418 6.070 ( -0.240 0.000 0.891) 0.923 7.106 ( -0.569 0.000 0.635) 0.852 7.511 ( -7.478 0.000 2.563) 7.904 10.041 ( -0.677 0.000 -0.767) 1.023 11.708 ( -5.143 0.000 0.009) 5.143 11.909 ( 0.233 0.000 0.089) 0.249 15.073 ( 8.224 0.000 -3.981) 9.137 15.514 ( 8.856 0.000 -2.626) 9.237 44.993 ( 0.073 0.000 0.186) 0.200 45.412 ( -3.232 0.000 -1.741) 3.671 97.544 ( -0.289 0.000 0.351) 0.455 97.565 ( -0.480 0.000 0.588) 0.759 99.934 ( -0.025 0.000 0.227) 0.228 99.972 ( 0.175 0.000 -0.105) 0.204 ======================= Grid point 431 (199/315) ======================= q-point: ( 0.18 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 7.173 0.000 4.426) 8.428 1.322 ( -0.196 0.000 13.731) 13.733 1.385 ( 5.070 0.000 -4.203) 6.586 1.492 ( 13.545 0.000 -3.017) 13.877 2.218 ( 7.966 0.000 7.028) 10.623 2.521 ( 2.372 0.000 -2.471) 3.425 3.343 ( 7.014 0.000 2.355) 7.399 3.663 ( 6.020 0.000 -1.811) 6.287 3.759 ( 23.745 0.000 -7.596) 24.931 4.401 ( 29.257 0.000 -2.424) 29.358 6.088 ( 0.736 0.000 5.311) 5.361 7.079 ( -2.120 0.000 -0.776) 2.258 7.352 ( -9.458 0.000 3.147) 9.968 10.029 ( -0.494 0.000 0.037) 0.495 11.588 ( -7.336 0.000 0.456) 7.351 11.902 ( -0.951 0.000 -0.063) 0.953 15.133 ( -0.286 0.000 -2.287) 2.305 15.793 ( 20.120 0.000 -6.343) 21.096 44.989 ( -0.455 0.000 -0.583) 0.739 45.324 ( -5.254 0.000 -1.295) 5.412 97.540 ( -0.286 0.000 0.325) 0.433 97.558 ( -0.450 0.000 0.802) 0.920 99.935 ( 0.044 0.000 0.234) 0.238 99.977 ( 0.321 0.000 0.013) 0.321 ======================= Grid point 432 (200/315) ======================= q-point: ( 0.27 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 5.578 0.000 1.445) 5.762 1.331 ( 0.764 0.000 7.574) 7.613 1.470 ( 4.524 0.000 -1.865) 4.894 1.808 ( 16.245 0.000 0.834) 16.266 2.234 ( -4.689 0.000 3.577) 5.897 2.679 ( 10.947 0.000 -0.921) 10.986 3.495 ( 8.002 0.000 1.790) 8.200 3.788 ( 7.468 0.000 -1.268) 7.574 4.150 ( 19.688 0.000 -8.206) 21.330 4.893 ( 23.335 0.000 -5.972) 24.087 6.126 ( 0.724 0.000 10.380) 10.405 7.024 ( -3.119 0.000 -1.958) 3.683 7.199 ( -7.458 0.000 3.415) 8.203 10.022 ( -0.350 0.000 0.449) 0.569 11.447 ( -7.471 0.000 0.846) 7.518 11.876 ( -1.622 0.000 -0.039) 1.622 15.091 ( -3.012 0.000 -0.145) 3.015 16.153 ( 19.044 0.000 -7.532) 20.480 44.972 ( -0.999 0.000 -1.475) 1.782 45.219 ( -5.145 0.000 -0.661) 5.187 97.537 ( -0.127 0.000 0.339) 0.362 97.553 ( -0.378 0.000 0.805) 0.889 99.937 ( 0.090 0.000 0.219) 0.237 99.984 ( 0.366 0.000 0.127) 0.387 ======================= Grid point 433 (201/315) ======================= q-point: ( 0.36 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 3.947 0.000 0.224) 3.954 1.418 ( 6.224 0.000 5.219) 8.122 1.532 ( 2.305 0.000 -0.755) 2.425 2.017 ( 1.130 0.000 -1.599) 1.958 2.178 ( 2.248 0.000 4.139) 4.710 2.845 ( 5.996 0.000 0.764) 6.044 3.639 ( 6.221 0.000 1.433) 6.384 3.921 ( 6.551 0.000 -0.734) 6.592 4.434 ( 12.706 0.000 -7.576) 14.793 5.222 ( 13.774 0.000 -9.224) 16.577 6.191 ( 2.596 0.000 13.303) 13.554 6.955 ( -3.326 0.000 -2.523) 4.175 7.099 ( -4.502 0.000 4.397) 6.293 10.018 ( -0.161 0.000 0.336) 0.373 11.327 ( -5.172 0.000 1.036) 5.274 11.844 ( -1.643 0.000 0.149) 1.650 15.036 ( -2.574 0.000 0.903) 2.728 16.433 ( 12.687 0.000 -7.448) 14.712 44.943 ( -1.458 0.000 -2.107) 2.562 45.137 ( -3.238 0.000 -0.108) 3.240 97.537 ( 0.050 0.000 0.394) 0.398 97.548 ( -0.341 0.000 0.703) 0.781 99.940 ( 0.102 0.000 0.187) 0.213 99.991 ( 0.291 0.000 0.202) 0.354 ======================= Grid point 434 (202/315) ======================= q-point: (-0.55 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 2.363 0.000 -0.478) 2.411 1.550 ( -0.184 0.000 -0.062) 0.194 1.586 ( 9.851 0.000 2.724) 10.220 1.893 ( -9.593 0.000 -0.198) 9.595 2.289 ( 4.390 0.000 1.997) 4.822 2.902 ( -0.582 0.000 3.077) 3.132 3.723 ( 1.944 0.000 1.370) 2.379 4.014 ( 3.102 0.000 -0.536) 3.148 4.572 ( 4.113 0.000 -6.785) 7.934 5.359 ( 4.313 0.000 -9.338) 10.285 6.309 ( 5.527 0.000 10.603) 11.957 6.891 ( -2.472 0.000 -2.110) 3.250 7.046 ( -3.198 0.000 6.087) 6.876 10.020 ( 0.403 0.000 -0.136) 0.426 11.268 ( -1.163 0.000 0.751) 1.385 11.819 ( -1.099 0.000 0.493) 1.205 15.007 ( -0.778 0.000 1.089) 1.338 16.578 ( 5.049 0.000 -7.318) 8.891 44.909 ( -1.261 0.000 -1.870) 2.256 45.100 ( -0.656 0.000 -0.161) 0.676 97.541 ( 0.117 0.000 0.442) 0.458 97.544 ( -0.271 0.000 0.602) 0.660 99.942 ( 0.075 0.000 0.142) 0.160 99.995 ( 0.121 0.000 0.221) 0.252 ======================= Grid point 435 (203/315) ======================= q-point: (-0.45 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -0.827 0.000 -1.235) 1.486 1.534 ( -1.184 0.000 0.687) 1.369 1.673 ( -9.648 0.000 -0.693) 9.673 1.817 ( 9.693 0.000 2.514) 10.014 2.322 ( -1.400 0.000 0.781) 1.603 2.843 ( -6.982 0.000 5.759) 9.050 3.715 ( -3.333 0.000 1.614) 3.703 4.025 ( -1.734 0.000 -0.892) 1.950 4.542 ( -5.286 0.000 -5.747) 7.809 5.345 ( -2.448 0.000 -8.313) 8.666 6.444 ( 5.693 0.000 4.212) 7.082 6.856 ( -0.555 0.000 -0.732) 0.918 7.009 ( -2.956 0.000 7.991) 8.520 10.034 ( 1.213 0.000 -0.717) 1.409 11.289 ( 3.120 0.000 -0.062) 3.121 11.808 ( -0.266 0.000 0.938) 0.975 15.015 ( 1.267 0.000 0.768) 1.482 16.579 ( -2.319 0.000 -7.473) 7.824 44.889 ( -0.363 0.000 -0.986) 1.051 45.109 ( 1.746 0.000 -0.607) 1.848 97.538 ( -0.389 0.000 0.565) 0.686 97.548 ( 0.324 0.000 0.436) 0.543 99.943 ( 0.016 0.000 0.092) 0.093 99.996 ( -0.089 0.000 0.183) 0.203 ======================= Grid point 436 (204/315) ======================= q-point: (-0.36 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -5.720 0.000 -0.165) 5.722 1.467 ( -11.371 0.000 3.649) 11.942 1.518 ( -0.823 0.000 -0.221) 0.852 2.009 ( 7.537 0.000 -2.343) 7.893 2.259 ( -3.676 0.000 1.356) 3.918 2.686 ( -11.520 0.000 7.777) 13.899 3.615 ( -7.492 0.000 2.102) 7.781 3.948 ( -5.710 0.000 -1.530) 5.911 4.337 ( -14.518 0.000 -4.131) 15.095 5.215 ( -8.735 0.000 -8.777) 12.383 6.526 ( 2.061 0.000 -2.380) 3.148 6.867 ( 1.614 0.000 0.972) 1.884 7.003 ( 0.202 0.000 9.855) 9.857 10.058 ( 1.526 0.000 -1.300) 2.005 11.379 ( 6.434 0.000 -1.070) 6.522 11.814 ( 0.491 0.000 1.400) 1.484 15.054 ( 2.445 0.000 0.190) 2.453 16.445 ( -9.240 0.000 -8.219) 12.367 44.890 ( 0.635 0.000 0.033) 0.636 45.159 ( 3.671 0.000 -0.998) 3.805 97.533 ( -0.327 0.000 0.607) 0.689 97.556 ( 0.378 0.000 0.370) 0.529 99.943 ( -0.054 0.000 0.054) 0.077 99.993 ( -0.272 0.000 0.099) 0.289 ======================= Grid point 437 (205/315) ======================= q-point: (-0.27 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -9.193 0.000 2.564) 9.544 1.284 ( -9.859 0.000 8.432) 12.973 1.491 ( -1.810 0.000 -2.301) 2.928 1.938 ( -11.981 0.000 -2.925) 12.333 2.332 ( 9.164 0.000 0.235) 9.167 2.474 ( -13.033 0.000 7.402) 14.988 3.463 ( -8.955 0.000 2.693) 9.351 3.817 ( -7.055 0.000 -2.052) 7.348 3.984 ( -21.176 0.000 -1.825) 21.254 4.948 ( -16.695 0.000 -10.653) 19.805 6.495 ( -3.799 0.000 -5.703) 6.852 6.918 ( 3.003 0.000 2.265) 3.761 7.101 ( 6.878 0.000 9.263) 11.537 10.079 ( 1.063 0.000 -1.842) 2.127 11.513 ( 7.896 0.000 -1.847) 8.109 11.833 ( 0.854 0.000 1.785) 1.979 15.097 ( 1.799 0.000 -0.544) 1.880 16.181 ( -15.639 0.000 -9.166) 18.128 44.910 ( 1.262 0.000 0.840) 1.516 45.237 ( 4.856 0.000 -1.127) 4.985 97.531 ( -0.068 0.000 0.649) 0.652 97.564 ( 0.319 0.000 0.313) 0.447 99.942 ( -0.117 0.000 0.046) 0.125 99.987 ( -0.369 0.000 -0.010) 0.369 ======================= Grid point 438 (206/315) ======================= q-point: (-0.18 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -10.417 0.000 6.227) 12.137 1.141 ( -9.500 0.000 12.375) 15.601 1.435 ( -2.887 0.000 -4.553) 5.392 1.677 ( -12.606 0.000 0.661) 12.624 2.221 ( -15.205 0.000 5.797) 16.273 2.535 ( 11.299 0.000 -2.869) 11.657 3.313 ( -7.528 0.000 3.188) 8.175 3.570 ( -20.951 0.000 0.199) 20.952 3.686 ( -5.788 0.000 -2.361) 6.251 4.502 ( -27.247 0.000 -11.424) 29.545 6.369 ( -6.956 0.000 -6.263) 9.360 6.987 ( 3.273 0.000 2.849) 4.339 7.299 ( 10.584 0.000 6.483) 12.412 10.085 ( 0.255 0.000 -2.190) 2.205 11.652 ( 7.114 0.000 -2.207) 7.448 11.854 ( 0.695 0.000 2.006) 2.123 15.099 ( -1.965 0.000 -1.338) 2.377 15.824 ( -17.895 0.000 -7.824) 19.530 44.939 ( 1.346 0.000 1.214) 1.813 45.329 ( 5.042 0.000 -1.088) 5.158 97.535 ( 0.271 0.000 0.599) 0.657 97.570 ( 0.191 0.000 0.274) 0.334 99.939 ( -0.152 0.000 0.077) 0.171 99.980 ( -0.347 0.000 -0.115) 0.366 ======================= Grid point 439 (207/315) ======================= q-point: (-0.09 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -7.174 0.000 10.090) 12.380 0.981 ( -10.520 0.000 11.736) 15.761 1.363 ( -2.484 0.000 -6.577) 7.030 1.553 ( -1.192 0.000 7.623) 7.715 1.935 ( -15.809 0.000 2.693) 16.037 2.737 ( 10.121 0.000 -2.451) 10.413 3.211 ( -4.182 0.000 3.428) 5.407 3.262 ( -9.785 0.000 -0.499) 9.798 3.593 ( -3.078 0.000 -2.494) 3.962 3.871 ( -34.237 0.000 -5.621) 34.695 6.216 ( -6.703 0.000 -5.094) 8.419 7.052 ( 2.572 0.000 2.706) 3.733 7.501 ( 8.037 0.000 3.117) 8.620 10.076 ( -0.414 0.000 -2.138) 2.177 11.753 ( 3.928 0.000 -2.042) 4.427 11.871 ( 0.557 0.000 1.863) 1.945 14.999 ( -7.080 0.000 -0.727) 7.118 15.542 ( -8.568 0.000 -3.573) 9.283 44.966 ( 1.071 0.000 1.161) 1.580 45.411 ( 3.660 0.000 -1.353) 3.902 97.542 ( 0.308 0.000 0.442) 0.539 97.573 ( 0.016 0.000 0.224) 0.225 99.937 ( -0.148 0.000 0.135) 0.200 99.974 ( -0.216 0.000 -0.182) 0.283 ======================= Grid point 440 (208/315) ======================= q-point: ( 0.00 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -5.073 10.018 10.380) 15.292 1.001 ( 6.140 10.141 8.728) 14.721 1.406 ( 0.732 8.066 -6.667) 10.490 1.670 ( -1.532 4.017 15.285) 15.878 1.725 ( -1.050 2.692 -4.067) 4.989 2.633 ( -2.910 -10.849 1.665) 11.355 3.176 ( -0.205 0.695 0.675) 0.990 3.416 ( 4.421 9.132 -2.601) 10.473 3.542 ( -4.748 15.262 -1.379) 16.043 3.861 ( 1.501 25.313 -1.331) 25.392 6.103 ( -2.881 0.328 -2.410) 3.770 6.980 ( -0.402 -8.549 3.673) 9.313 7.769 ( 0.607 15.713 0.045) 15.725 10.193 ( -0.363 13.250 -1.036) 13.295 11.859 ( -1.822 8.601 -0.653) 8.816 11.990 ( 1.760 9.688 0.170) 9.848 14.912 ( 2.684 -2.721 -0.470) 3.850 15.430 ( -0.369 -2.797 -1.915) 3.410 44.915 ( 0.598 -7.100 0.619) 7.152 45.324 ( 0.315 -12.142 -1.641) 12.256 97.554 ( -0.025 0.793 0.362) 0.872 97.578 ( -0.269 0.720 0.423) 0.877 99.937 ( -0.087 0.202 0.102) 0.243 99.973 ( -0.031 0.192 -0.140) 0.239 ======================= Grid point 441 (209/315) ======================= q-point: ( 0.09 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 3.872 5.180 9.357) 11.375 1.195 ( 10.416 8.706 8.451) 15.991 1.427 ( 3.541 9.687 -6.786) 12.347 1.520 ( -7.777 2.793 2.705) 8.695 1.947 ( 13.526 0.752 6.351) 14.962 2.536 ( -5.230 -5.353 0.443) 7.496 3.255 ( 8.487 0.641 1.047) 8.575 3.493 ( 7.240 12.965 -4.390) 15.485 3.699 ( 12.565 10.174 -0.177) 16.168 4.014 ( 16.982 16.846 -1.715) 23.981 6.067 ( -0.892 0.074 0.498) 1.025 6.979 ( -0.835 -8.923 3.748) 9.714 7.713 ( -6.017 16.828 -0.020) 17.871 10.181 ( -0.635 13.706 -0.585) 13.733 11.793 ( -4.709 8.550 0.388) 9.768 12.024 ( 1.569 11.505 -0.655) 11.630 15.033 ( 7.753 -3.914 -3.445) 9.344 15.488 ( 8.587 -2.612 -2.551) 9.331 44.922 ( 0.064 -7.171 0.061) 7.171 45.293 ( -2.918 -11.848 -1.621) 12.309 97.553 ( -0.247 0.839 0.345) 0.940 97.572 ( -0.443 0.799 0.641) 1.116 99.936 ( -0.059 0.159 0.155) 0.229 99.974 ( 0.138 0.162 -0.066) 0.223 ======================= Grid point 442 (210/315) ======================= q-point: ( 0.18 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 6.941 2.922 5.842) 9.532 1.342 ( -2.590 1.796 11.223) 11.658 1.444 ( 4.750 5.864 -3.839) 8.467 1.562 ( 11.864 6.935 -3.130) 14.094 2.178 ( 6.292 -3.666 6.372) 9.676 2.503 ( 3.571 -1.434 -2.442) 4.557 3.428 ( 8.261 6.421 2.416) 10.738 3.662 ( 10.601 2.265 -4.890) 11.892 3.926 ( 14.055 13.979 -4.554) 20.340 4.443 ( 25.433 4.475 -1.976) 25.899 6.060 ( -0.973 -2.369 4.321) 5.023 6.978 ( -0.435 -7.109 4.120) 8.228 7.567 ( -8.679 18.588 -0.500) 20.521 10.166 ( -0.790 13.442 -0.001) 13.465 11.693 ( -5.811 10.483 0.760) 12.010 12.042 ( 0.660 14.196 -0.884) 14.239 15.098 ( 0.281 -3.482 -2.214) 4.135 15.755 ( 19.402 -3.716 -5.815) 20.593 44.918 ( -0.444 -7.198 -0.657) 7.241 45.213 ( -4.780 -11.070 -1.265) 12.124 97.549 ( -0.235 0.928 0.327) 1.011 97.566 ( -0.451 0.827 0.790) 1.230 99.936 ( -0.006 0.064 0.190) 0.201 99.978 ( 0.264 0.083 0.037) 0.279 ======================= Grid point 443 (211/315) ======================= q-point: ( 0.27 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 5.690 2.902 1.828) 6.643 1.322 ( -0.228 0.013 6.330) 6.334 1.534 ( 4.596 5.709 -1.207) 7.428 1.819 ( 13.628 1.416 0.106) 13.702 2.200 ( -3.568 -3.298 3.508) 5.993 2.645 ( 9.326 -3.255 -0.712) 9.904 3.581 ( 7.254 8.036 2.002) 11.009 3.829 ( 8.365 2.705 -2.129) 9.045 4.200 ( 15.654 5.709 -7.407) 18.235 4.877 ( 20.743 -1.545 -5.027) 21.399 6.056 ( -1.297 -5.802 8.794) 10.615 6.990 ( 0.077 -5.129 4.848) 7.058 7.401 ( -8.275 20.968 -1.544) 22.595 10.153 ( -0.680 12.803 0.426) 12.829 11.588 ( -5.322 14.027 0.873) 15.028 12.044 ( -0.148 16.915 -0.878) 16.938 15.066 ( -2.567 -2.505 -0.308) 3.600 16.110 ( 18.941 -4.341 -7.188) 20.719 44.901 ( -0.948 -7.151 -1.493) 7.367 45.117 ( -4.700 -10.193 -0.692) 11.245 97.547 ( -0.106 0.995 0.340) 1.057 97.561 ( -0.387 0.804 0.782) 1.186 99.937 ( 0.051 -0.028 0.202) 0.210 99.983 ( 0.297 -0.034 0.131) 0.326 ======================= Grid point 444 (212/315) ======================= q-point: ( 0.36 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 4.314 3.144 -0.213) 5.342 1.383 ( 4.442 -1.495 4.397) 6.427 1.603 ( 2.851 5.288 0.009) 6.008 1.990 ( 0.841 -2.456 -1.633) 3.067 2.159 ( 1.881 -1.621 4.019) 4.724 2.788 ( 5.162 -5.423 1.009) 7.554 3.708 ( 5.345 6.720 1.378) 8.696 3.968 ( 6.701 3.886 -0.641) 7.772 4.429 ( 10.460 0.012 -7.418) 12.824 5.174 ( 12.728 -4.783 -8.241) 15.900 6.084 ( 1.315 -8.838 11.947) 14.919 6.999 ( -1.359 -6.436 5.928) 8.855 7.259 ( -5.696 25.003 -2.420) 25.758 10.145 ( -0.279 12.332 0.492) 12.345 11.508 ( -3.281 17.885 0.759) 18.199 12.033 ( -0.698 18.910 -0.610) 18.933 15.017 ( -2.388 -1.948 0.730) 3.167 16.392 ( 12.898 -4.130 -7.371) 15.419 44.873 ( -1.367 -7.009 -2.086) 7.439 45.042 ( -2.945 -9.506 -0.178) 9.953 97.547 ( 0.031 0.995 0.397) 1.072 97.556 ( -0.328 0.797 0.681) 1.098 99.939 ( 0.084 -0.084 0.188) 0.222 99.989 ( 0.228 -0.162 0.189) 0.338 ======================= Grid point 445 (213/315) ======================= q-point: (-0.55 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 2.079 3.660 0.244) 4.217 1.484 ( 3.927 -2.455 0.089) 4.632 1.664 ( 4.671 3.117 1.987) 5.957 1.881 ( -8.520 -0.610 -0.692) 8.570 2.255 ( 3.927 -3.125 2.159) 5.463 2.837 ( -0.725 -6.179 3.131) 6.965 3.781 ( 1.697 5.596 1.180) 5.966 4.065 ( 3.320 4.759 -0.233) 5.808 4.534 ( 2.765 -3.420 -6.540) 7.882 5.308 ( 4.653 -5.123 -8.990) 11.345 6.186 ( 5.334 -10.986 10.456) 16.077 6.965 ( -3.894 -7.309 5.782) 10.100 7.181 ( -2.140 26.757 -1.064) 26.864 10.147 ( 0.366 12.165 0.198) 12.172 11.474 ( -0.403 20.369 0.298) 20.375 12.016 ( -0.924 19.692 -0.081) 19.714 14.988 ( -0.862 -1.887 1.032) 2.317 16.540 ( 5.195 -3.747 -7.390) 9.780 44.841 ( -1.168 -6.819 -1.854) 7.163 45.008 ( -0.561 -9.164 -0.248) 9.185 97.550 ( 0.114 0.949 0.437) 1.051 97.552 ( -0.275 0.822 0.592) 1.050 99.941 ( 0.075 -0.098 0.148) 0.193 99.993 ( 0.090 -0.258 0.204) 0.340 ======================= Grid point 446 (214/315) ======================= q-point: (-0.45 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -3.759 0.262 -0.174) 3.772 1.513 ( 0.207 0.667 -0.658) 0.960 1.708 ( -8.424 0.624 1.937) 8.666 1.820 ( 9.495 1.407 0.194) 9.601 2.287 ( -0.991 -3.168 0.927) 3.446 2.782 ( -6.394 -5.712 5.565) 10.222 3.775 ( -2.759 5.748 1.366) 6.521 4.082 ( -1.438 5.536 -0.724) 5.765 4.492 ( -5.182 -4.570 -5.126) 8.603 5.306 ( -1.690 -4.004 -8.481) 9.530 6.318 ( 5.113 -11.835 4.450) 13.639 6.924 ( -1.696 -5.513 6.948) 9.030 7.154 ( -0.952 25.636 0.721) 25.664 10.160 ( 0.990 12.010 -0.318) 12.055 11.494 ( 2.412 20.282 -0.493) 20.431 12.000 ( -0.844 19.176 0.582) 19.204 14.992 ( 0.967 -2.257 0.856) 2.601 16.542 ( -2.474 -3.753 -7.519) 8.760 44.822 ( -0.313 -6.682 -1.025) 6.767 45.018 ( 1.653 -9.193 -0.682) 9.365 97.547 ( -0.357 0.945 0.562) 1.156 97.556 ( 0.291 0.815 0.428) 0.965 99.943 ( 0.029 -0.085 0.092) 0.128 99.994 ( -0.074 -0.279 0.174) 0.337 ======================= Grid point 447 (215/315) ======================= q-point: (-0.36 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -8.409 -3.827 1.925) 9.437 1.474 ( -5.462 2.932 1.322) 6.338 1.593 ( -3.177 5.107 0.904) 6.082 1.989 ( 6.459 -1.926 -2.620) 7.232 2.241 ( -2.619 -1.729 1.041) 3.306 2.639 ( -10.569 -4.274 7.517) 13.655 3.693 ( -6.043 7.341 1.749) 9.668 4.006 ( -6.248 5.135 -1.728) 8.270 4.312 ( -12.093 -1.920 -3.170) 12.648 5.192 ( -7.611 -2.299 -8.996) 12.006 6.383 ( 1.385 -11.435 -1.886) 11.672 6.946 ( 0.291 -5.588 9.398) 10.937 7.164 ( 2.722 26.470 1.390) 26.646 10.179 ( 1.226 11.739 -0.881) 11.836 11.558 ( 4.639 17.675 -1.311) 18.320 11.989 ( -0.597 17.616 1.180) 17.666 15.025 ( 2.043 -2.898 0.392) 3.567 16.402 ( -9.639 -4.268 -8.004) 13.236 44.824 ( 0.628 -6.668 -0.079) 6.698 45.064 ( 3.425 -9.540 -1.062) 10.192 97.543 ( -0.308 0.999 0.605) 1.208 97.564 ( 0.355 0.758 0.366) 0.913 99.943 ( -0.030 -0.053 0.041) 0.073 99.991 ( -0.216 -0.211 0.106) 0.321 ======================= Grid point 448 (216/315) ======================= q-point: (-0.27 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -8.883 -3.708 5.837) 11.257 1.347 ( -8.124 4.886 5.918) 11.175 1.556 ( -1.618 6.045 -2.227) 6.642 1.934 ( -9.903 -0.286 -3.456) 10.492 2.300 ( 7.667 -3.124 -0.335) 8.286 2.442 ( -12.711 -2.554 7.855) 15.159 3.572 ( -7.033 9.839 2.044) 12.266 3.825 ( -12.868 -0.442 -2.277) 13.076 4.056 ( -12.429 8.114 -1.131) 14.886 4.954 ( -14.719 0.558 -10.560) 18.124 6.369 ( -1.519 -9.546 -4.824) 10.803 6.960 ( -1.367 -2.304 7.388) 7.859 7.286 ( 8.806 22.067 3.453) 24.009 10.197 ( 0.927 11.600 -1.322) 11.712 11.655 ( 5.906 13.879 -1.842) 15.195 11.984 ( -0.436 15.384 1.548) 15.468 15.061 ( 1.434 -3.571 -0.260) 3.857 16.133 ( -15.838 -4.752 -8.491) 18.589 44.843 ( 1.224 -6.764 0.672) 6.906 45.136 ( 4.492 -10.139 -1.200) 11.154 97.541 ( -0.086 1.003 0.644) 1.195 97.571 ( 0.308 0.733 0.319) 0.857 99.942 ( -0.074 0.001 0.016) 0.075 99.986 ( -0.296 -0.082 0.013) 0.307 ======================= Grid point 449 (217/315) ======================= q-point: (-0.18 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -7.257 0.346 9.141) 11.677 1.222 ( -7.962 6.401 10.212) 14.445 1.506 ( -2.502 6.800 -4.537) 8.549 1.704 ( -11.448 2.980 -0.839) 11.859 2.209 ( -14.290 -1.084 5.935) 15.511 2.455 ( 8.411 -6.159 -1.897) 10.596 3.442 ( -8.651 8.241 1.723) 12.072 3.533 ( -14.030 1.035 -0.435) 14.075 3.877 ( -6.610 15.635 -1.341) 17.027 4.560 ( -23.468 5.839 -11.329) 26.706 6.298 ( -4.170 -5.808 -5.545) 9.048 6.960 ( -0.579 -2.985 5.278) 6.091 7.488 ( 10.776 18.355 3.397) 21.554 10.205 ( 0.333 11.817 -1.480) 11.914 11.761 ( 5.791 10.694 -2.087) 12.339 11.980 ( -0.578 12.809 1.668) 12.931 15.059 ( -2.054 -3.949 -0.966) 4.555 15.781 ( -17.377 -4.219 -6.978) 19.195 44.870 ( 1.315 -6.894 1.025) 7.092 45.220 ( 4.597 -10.922 -1.161) 11.907 97.544 ( 0.213 0.931 0.600) 1.128 97.577 ( 0.170 0.723 0.309) 0.805 99.940 ( -0.092 0.081 0.024) 0.125 99.981 ( -0.284 0.058 -0.082) 0.302 ======================= Grid point 450 (218/315) ======================= q-point: (-0.09 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -1.970 6.868 10.319) 12.551 1.085 ( -10.146 9.377 10.579) 17.401 1.441 ( -2.144 7.132 -5.753) 9.411 1.582 ( -0.897 3.788 5.291) 6.569 1.947 ( -14.536 1.424 3.481) 15.015 2.593 ( 6.091 -9.939 -0.918) 11.694 3.238 ( -8.371 0.303 0.463) 8.390 3.404 ( -2.667 11.293 0.435) 11.612 3.764 ( -6.861 14.671 -3.299) 16.529 4.043 ( -23.857 17.924 -6.324) 30.503 6.191 ( -4.944 -1.858 -4.613) 7.013 6.971 ( 0.014 -6.166 4.115) 7.413 7.682 ( 8.018 16.205 1.397) 18.134 10.202 ( -0.123 12.426 -1.326) 12.498 11.847 ( 3.504 9.260 -2.083) 10.118 11.974 ( -0.366 10.316 1.539) 10.437 14.967 ( -6.406 -3.239 -0.517) 7.197 15.510 ( -8.259 -3.144 -3.309) 9.436 44.896 ( 1.051 -7.005 0.974) 7.150 45.293 ( 3.267 -11.729 -1.319) 12.247 97.551 ( 0.262 0.828 0.452) 0.979 97.579 ( -0.020 0.702 0.328) 0.776 99.939 ( -0.093 0.166 0.055) 0.198 99.976 ( -0.186 0.158 -0.145) 0.284 ======================= Grid point 451 (219/315) ======================= q-point: ( 0.00 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -3.345 10.238 7.241) 12.978 1.250 ( 3.164 11.799 9.828) 15.679 1.580 ( 1.333 9.915 -4.469) 10.957 1.796 ( 3.074 4.479 -1.776) 5.715 1.829 ( -5.650 11.759 8.211) 15.415 2.459 ( -0.015 -6.895 -0.257) 6.900 3.204 ( -0.488 2.272 0.536) 2.385 3.473 ( 2.996 1.570 -0.360) 3.402 4.027 ( -2.510 27.380 -5.727) 28.085 4.371 ( -0.044 23.939 -2.645) 24.084 6.147 ( -1.834 4.859 -1.618) 5.439 6.832 ( -1.808 -6.030 5.483) 8.348 8.139 ( 0.821 21.814 -1.368) 21.872 10.541 ( 0.199 21.072 0.449) 21.078 12.096 ( -2.899 15.150 -0.315) 15.428 12.253 ( 3.462 16.553 -0.770) 16.929 14.839 ( 1.813 -4.597 -0.466) 4.964 15.349 ( 0.092 -5.513 -1.843) 5.813 44.715 ( 0.546 -13.070 0.172) 13.083 44.994 ( 0.201 -20.833 -1.514) 20.889 97.577 ( -0.007 1.535 0.392) 1.584 97.600 ( -0.237 1.517 0.561) 1.634 99.941 ( -0.062 0.191 -0.050) 0.207 99.978 ( -0.045 0.257 -0.030) 0.263 ======================= Grid point 452 (220/315) ======================= q-point: ( 0.09 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 0.095 9.387 8.000) 12.334 1.361 ( 3.533 6.830 9.585) 12.289 1.610 ( 1.175 9.150 -3.448) 9.849 1.674 ( -2.691 12.322 -4.006) 13.233 1.973 ( 7.450 2.029 6.621) 10.172 2.446 ( -0.034 -3.445 -1.429) 3.730 3.263 ( 8.045 0.545 0.256) 8.068 3.650 ( 11.576 3.529 -2.140) 12.290 4.041 ( 6.098 22.589 -2.711) 23.554 4.415 ( 5.623 20.724 -2.117) 21.578 6.098 ( -3.323 3.585 0.274) 4.896 6.828 ( -0.617 -6.096 6.384) 8.848 8.108 ( -3.221 23.386 -1.525) 23.656 10.537 ( -0.763 21.363 0.161) 21.377 12.029 ( -3.578 15.102 1.118) 15.560 12.342 ( 5.696 20.358 -2.349) 21.270 14.930 ( 6.403 -6.395 -2.378) 9.357 15.413 ( 8.230 -5.010 -2.435) 9.938 44.720 ( 0.055 -13.182 -0.273) 13.185 44.970 ( -2.143 -20.427 -1.504) 20.594 97.577 ( -0.148 1.610 0.349) 1.654 97.596 ( -0.397 1.552 0.683) 1.742 99.939 ( -0.125 0.149 0.022) 0.196 99.978 ( 0.043 0.214 0.028) 0.220 ======================= Grid point 453 (221/315) ======================= q-point: ( 0.18 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 4.760 5.793 5.710) 9.424 1.387 ( -3.750 2.904 9.033) 10.202 1.608 ( 3.168 10.513 -2.799) 11.331 1.736 ( 7.037 9.905 -3.986) 12.787 2.095 ( 2.947 -4.352 5.164) 7.368 2.475 ( 3.844 -1.358 -1.725) 4.427 3.485 ( 13.883 -0.496 0.062) 13.892 3.798 ( 5.661 9.705 -3.637) 11.809 4.208 ( 10.084 13.360 -2.746) 16.963 4.585 ( 12.760 9.783 -1.505) 16.149 6.024 ( -4.821 -0.559 2.968) 5.689 6.842 ( -0.482 -6.653 7.243) 9.846 8.027 ( -4.299 27.906 -1.572) 28.279 10.515 ( -1.566 20.851 0.220) 20.911 11.979 ( -1.919 18.237 1.339) 18.386 12.439 ( 5.279 25.595 -2.954) 26.300 15.002 ( 1.653 -6.221 -2.091) 6.768 15.656 ( 17.650 -6.219 -4.718) 19.300 44.715 ( -0.386 -13.190 -0.849) 13.223 44.910 ( -3.556 -19.243 -1.271) 19.610 97.575 ( -0.132 1.710 0.325) 1.745 97.590 ( -0.464 1.552 0.751) 1.786 99.937 ( -0.115 0.041 0.103) 0.160 99.979 ( 0.107 0.075 0.093) 0.160 ======================= Grid point 454 (222/315) ======================= q-point: ( 0.27 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 4.049 2.193 -1.755) 4.928 1.362 ( 0.070 4.467 10.029) 10.979 1.674 ( 3.443 8.445 -1.477) 9.239 1.870 ( 7.093 3.570 -1.675) 8.115 2.120 ( -0.985 -4.439 3.460) 5.714 2.567 ( 5.389 -4.338 0.106) 6.919 3.736 ( 11.311 3.932 1.969) 12.135 3.883 ( 5.548 5.815 -4.066) 9.007 4.365 ( 7.809 9.696 -4.962) 13.402 4.836 ( 13.128 -2.423 -2.562) 13.594 5.946 ( -4.640 -4.726 6.431) 9.232 6.844 ( -1.974 -9.021 7.410) 11.840 7.949 ( -3.262 33.400 -1.589) 33.596 10.484 ( -1.620 19.824 0.482) 19.896 11.966 ( 0.096 23.778 1.002) 23.800 12.515 ( 3.666 30.332 -3.036) 30.703 14.996 ( -1.270 -4.570 -0.806) 4.812 15.993 ( 18.575 -7.310 -6.364) 20.952 44.701 ( -0.780 -13.051 -1.533) 13.164 44.837 ( -3.523 -17.828 -0.813) 18.191 97.574 ( -0.059 1.780 0.335) 1.812 97.583 ( -0.423 1.501 0.727) 1.720 99.936 ( -0.044 -0.079 0.164) 0.187 99.982 ( 0.110 -0.129 0.137) 0.218 ======================= Grid point 455 (223/315) ======================= q-point: ( 0.36 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 4.930 0.980 -1.574) 5.267 1.437 ( 3.408 4.941 5.976) 8.470 1.704 ( -0.432 4.575 -0.542) 4.627 1.940 ( -0.071 -1.973 -1.832) 2.693 2.132 ( 2.275 -0.723 3.420) 4.170 2.655 ( 3.194 -7.553 1.857) 8.408 3.880 ( 3.722 10.151 1.196) 10.878 4.019 ( 9.113 0.163 -1.156) 9.187 4.463 ( 3.975 3.900 -5.939) 8.141 5.037 ( 9.290 -9.202 -5.331) 14.121 5.906 ( -1.797 -8.414 9.374) 12.724 6.814 ( -3.460 -11.422 7.040) 13.856 7.894 ( -2.191 37.638 -1.321) 37.725 10.461 ( -1.016 18.687 0.641) 18.726 11.985 ( 1.512 29.686 0.398) 29.727 12.555 ( 1.441 33.353 -2.524) 33.479 14.963 ( -1.803 -3.442 0.222) 3.892 16.279 ( 13.425 -7.073 -7.167) 16.782 44.677 ( -1.101 -12.754 -2.033) 12.961 44.780 ( -2.153 -16.684 -0.382) 16.827 97.574 ( -0.041 1.763 0.415) 1.812 97.579 ( -0.283 1.477 0.610) 1.623 99.937 ( 0.035 -0.164 0.188) 0.252 99.984 ( 0.065 -0.343 0.156) 0.382 ======================= Grid point 456 (224/315) ======================= q-point: (-0.55 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 2.820 2.213 1.552) 3.906 1.506 ( 4.156 4.842 -0.616) 6.410 1.661 ( -2.762 -2.855 2.023) 4.458 1.894 ( -2.824 1.442 -1.782) 3.637 2.197 ( 2.460 -1.766 2.621) 4.005 2.689 ( -0.629 -8.248 3.436) 8.957 3.923 ( 0.916 8.367 0.387) 8.426 4.167 ( 5.922 4.429 0.761) 7.434 4.467 ( -1.615 -2.329 -5.369) 6.071 5.153 ( 5.232 -11.009 -7.968) 14.562 5.943 ( 2.426 -12.275 9.442) 15.675 6.770 ( -3.125 -11.939 6.784) 14.082 7.854 ( -1.811 39.772 -0.511) 39.816 10.452 ( -0.128 17.771 0.555) 17.780 12.017 ( 1.528 33.484 -0.358) 33.521 12.555 ( -0.597 34.326 -1.498) 34.364 14.937 ( -1.067 -3.239 0.854) 3.516 16.438 ( 5.606 -6.436 -7.576) 11.412 44.650 ( -0.910 -12.407 -1.811) 12.572 44.756 ( -0.299 -16.094 -0.494) 16.104 97.575 ( -0.084 1.511 0.524) 1.602 97.577 ( -0.100 1.679 0.466) 1.745 99.938 ( 0.074 -0.193 0.162) 0.263 99.985 ( 0.008 -0.497 0.158) 0.521 ======================= Grid point 457 (225/315) ======================= q-point: (-0.45 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -8.932 -0.342 1.254) 9.026 1.591 ( 2.037 6.072 0.045) 6.405 1.677 ( 2.112 -2.194 1.953) 3.618 1.863 ( 1.593 1.518 -1.545) 2.688 2.222 ( -0.599 -2.680 1.650) 3.204 2.652 ( -4.622 -6.801 4.915) 9.580 3.917 ( -1.757 8.113 0.641) 8.326 4.223 ( -1.171 8.259 -0.507) 8.357 4.384 ( -4.573 -6.011 -3.103) 8.166 5.184 ( 0.847 -8.794 -9.195) 12.751 6.039 ( 4.603 -14.938 5.421) 16.544 6.754 ( -0.525 -10.802 7.452) 13.134 7.824 ( -1.300 40.108 0.731) 40.136 10.458 ( 0.672 17.315 0.287) 17.330 12.033 ( 0.370 33.253 -1.003) 33.270 12.528 ( -1.925 33.750 -0.422) 33.807 14.931 ( 0.135 -3.879 1.065) 4.025 16.440 ( -2.819 -6.380 -7.669) 10.367 44.635 ( -0.181 -12.166 -1.132) 12.220 44.765 ( 1.399 -16.145 -0.899) 16.230 97.573 ( -0.242 1.667 0.550) 1.772 97.579 ( 0.176 1.502 0.413) 1.567 99.940 ( 0.061 -0.173 0.093) 0.206 99.986 ( -0.035 -0.529 0.150) 0.551 ======================= Grid point 458 (226/315) ======================= q-point: (-0.36 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -9.323 -1.751 3.637) 10.159 1.560 ( -5.338 4.937 3.099) 7.904 1.703 ( 0.951 6.284 -0.494) 6.375 1.941 ( 4.790 -2.709 -2.990) 6.263 2.196 ( -1.724 -2.910 0.989) 3.524 2.550 ( -7.761 -3.932 6.164) 10.663 3.866 ( -3.718 9.431 1.197) 10.208 4.078 ( -12.417 0.016 -3.316) 12.852 4.324 ( -2.045 4.993 -0.107) 5.397 5.125 ( -3.981 -4.608 -9.722) 11.472 6.129 ( 3.673 -13.745 0.013) 14.227 6.797 ( 1.957 -9.324 8.408) 12.707 7.818 ( 0.523 38.684 1.817) 38.730 10.476 ( 1.104 17.406 0.030) 17.441 12.027 ( -0.425 28.895 -1.168) 28.921 12.483 ( -2.801 31.998 0.174) 32.120 14.945 ( 0.916 -5.050 0.886) 5.209 16.288 ( -10.542 -7.093 -7.559) 14.785 44.637 ( 0.597 -12.157 -0.390) 12.178 44.801 ( 2.755 -16.749 -1.243) 17.020 97.570 ( -0.257 1.776 0.598) 1.891 97.585 ( 0.311 1.402 0.354) 1.479 99.941 ( 0.031 -0.123 0.011) 0.127 99.985 ( -0.069 -0.417 0.123) 0.440 ======================= Grid point 459 (227/315) ======================= q-point: (-0.27 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -5.710 0.706 7.237) 9.246 1.448 ( -7.300 5.207 6.333) 10.978 1.707 ( -0.203 8.948 -2.333) 9.249 1.933 ( -4.613 0.485 -4.339) 6.351 2.212 ( 2.904 -5.817 -0.010) 6.502 2.410 ( -8.579 -0.128 6.591) 10.819 3.763 ( -13.028 3.076 0.389) 13.392 3.812 ( -8.496 4.872 -1.349) 9.886 4.278 ( -2.698 13.192 -0.646) 13.480 4.969 ( -9.218 0.989 -10.404) 13.935 6.177 ( 2.117 -9.599 -3.182) 10.332 6.857 ( 1.091 -7.183 7.964) 10.780 7.863 ( 3.718 34.936 2.078) 35.195 10.498 ( 1.084 17.978 0.005) 18.011 12.021 ( 0.387 22.620 -0.993) 22.646 12.422 ( -3.711 28.703 0.309) 28.943 14.963 ( 0.458 -6.274 0.401) 6.303 16.008 ( -16.164 -7.671 -7.067) 19.237 44.653 ( 1.102 -12.356 0.204) 12.407 44.857 ( 3.523 -17.772 -1.403) 18.172 97.568 ( -0.124 1.785 0.630) 1.897 97.592 ( 0.310 1.399 0.330) 1.470 99.942 ( 0.023 -0.046 -0.049) 0.071 99.984 ( -0.102 -0.204 0.070) 0.238 ======================= Grid point 460 (228/315) ======================= q-point: (-0.18 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -0.784 6.002 9.481) 11.248 1.345 ( -6.168 5.748 10.020) 13.095 1.676 ( -2.154 9.882 -3.905) 10.842 1.797 ( -6.740 6.118 -3.843) 9.881 2.183 ( -8.513 -1.522 4.232) 9.628 2.356 ( 2.863 -3.066 0.521) 4.227 3.459 ( -15.005 -1.344 -0.651) 15.079 3.703 ( -6.243 9.844 1.319) 11.731 4.220 ( -3.065 18.071 -2.248) 18.467 4.718 ( -13.396 9.608 -10.401) 19.492 6.192 ( 0.650 -4.249 -3.940) 5.831 6.877 ( -1.341 -5.140 6.590) 8.464 7.966 ( 6.187 29.353 1.212) 30.022 10.516 ( 0.811 18.930 0.299) 18.950 12.042 ( 2.296 17.391 -1.083) 17.575 12.345 ( -4.558 23.869 0.424) 24.304 14.952 ( -2.088 -6.802 -0.204) 7.118 15.669 ( -16.239 -6.900 -5.276) 18.416 44.677 ( 1.201 -12.633 0.494) 12.700 44.920 ( 3.483 -19.041 -1.389) 19.407 97.570 ( 0.085 1.698 0.598) 1.803 97.598 ( 0.177 1.439 0.360) 1.494 99.942 ( 0.031 0.055 -0.078) 0.100 99.982 ( -0.120 0.026 0.004) 0.122 ======================= Grid point 461 (229/315) ======================= q-point: (-0.09 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 2.945 10.673 8.121) 13.731 1.270 ( -5.838 8.016 11.630) 15.283 1.606 ( -2.867 9.735 -3.369) 10.693 1.722 ( 0.481 9.372 -1.532) 9.508 2.005 ( -10.758 5.077 4.649) 12.772 2.426 ( 3.491 -6.873 -0.808) 7.751 3.249 ( -6.227 1.079 -0.203) 6.323 3.564 ( -8.688 5.276 1.385) 10.258 4.134 ( -5.177 21.900 -5.667) 23.206 4.459 ( -8.857 21.059 -6.369) 23.717 6.179 ( -0.729 1.480 -3.145) 3.551 6.857 ( -2.425 -5.119 5.500) 7.895 8.082 ( 5.237 24.143 -0.354) 24.707 10.531 ( 0.602 20.100 0.605) 20.118 12.094 ( 3.019 15.286 -1.735) 15.678 12.261 ( -3.904 18.607 0.834) 19.030 14.879 ( -4.689 -5.466 -0.202) 7.205 15.422 ( -7.757 -5.840 -2.704) 10.080 44.699 ( 0.972 -12.881 0.456) 12.926 44.973 ( 2.367 -20.244 -1.406) 20.430 97.574 ( 0.152 1.571 0.492) 1.653 97.601 ( -0.029 1.481 0.442) 1.546 99.942 ( 0.010 0.149 -0.082) 0.170 99.979 ( -0.104 0.193 -0.041) 0.223 ======================= Grid point 462 (230/315) ======================= q-point: ( 0.00 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -2.666 6.662 7.416) 10.319 1.437 ( 1.759 8.931 7.415) 11.740 1.802 ( 0.954 11.144 -5.214) 12.340 1.881 ( 1.967 4.389 -1.715) 5.106 2.088 ( -5.171 13.068 6.417) 15.449 2.365 ( 2.501 -2.147 -2.040) 3.876 3.265 ( -0.736 3.904 0.465) 4.000 3.505 ( 1.882 1.702 0.125) 2.541 4.523 ( -1.607 22.303 -6.102) 23.178 4.746 ( -0.261 14.271 -3.688) 14.743 6.298 ( -1.424 9.992 0.705) 10.117 6.749 ( -2.030 -2.468 6.469) 7.216 8.624 ( 0.534 27.870 -1.626) 27.922 10.961 ( 0.436 20.247 2.266) 20.378 12.430 ( -3.793 18.528 -0.158) 18.913 12.615 ( 5.550 19.892 -1.251) 20.690 14.743 ( 0.986 -4.862 -0.443) 4.981 15.216 ( 0.639 -8.033 -1.725) 8.241 44.418 ( 0.457 -16.814 -0.431) 16.826 44.544 ( 0.132 -24.140 -1.714) 24.201 97.613 ( 0.016 2.080 0.441) 2.126 97.635 ( -0.209 1.998 0.556) 2.084 99.944 ( -0.044 0.110 -0.136) 0.180 99.982 ( -0.051 0.149 0.083) 0.178 ======================= Grid point 463 (231/315) ======================= q-point: ( 0.09 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -1.460 7.164 6.576) 9.834 1.478 ( -0.246 6.665 7.624) 10.129 1.808 ( 0.870 8.756 -3.267) 9.386 1.898 ( 1.319 9.690 -5.727) 11.333 2.040 ( -2.171 5.635 6.867) 9.144 2.408 ( 2.689 -0.163 -1.576) 3.121 3.287 ( 5.148 2.109 0.107) 5.565 3.693 ( 14.441 1.290 -0.525) 14.508 4.467 ( -2.060 19.517 -3.758) 19.982 4.753 ( 1.670 13.319 -2.765) 13.705 6.212 ( -7.466 7.840 1.756) 10.968 6.741 ( -1.559 -2.955 7.236) 7.971 8.628 ( 0.502 29.703 -1.546) 29.747 10.959 ( -1.224 20.267 1.404) 20.352 12.367 ( -1.717 19.094 1.525) 19.232 12.788 ( 11.894 24.397 -4.050) 27.442 14.796 ( 4.218 -6.952 -1.464) 8.262 15.295 ( 8.543 -7.059 -2.379) 11.334 44.421 ( 0.070 -16.947 -0.691) 16.961 44.529 ( -1.184 -23.710 -1.661) 23.798 97.614 ( -0.068 2.122 0.359) 2.154 97.631 ( -0.383 2.008 0.651) 2.145 99.942 ( -0.182 0.085 -0.063) 0.211 99.981 ( -0.081 0.099 0.117) 0.173 ======================= Grid point 464 (232/315) ======================= q-point: ( 0.18 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 1.078 5.018 3.488) 6.205 1.473 ( -2.416 6.377 8.424) 10.838 1.828 ( 2.452 10.507 -1.944) 10.963 1.914 ( 1.586 7.124 -3.741) 8.202 2.032 ( -0.434 -0.580 2.991) 3.077 2.453 ( 2.130 -0.862 -0.031) 2.298 3.461 ( 12.395 -1.112 -0.798) 12.470 3.945 ( 10.789 4.216 -1.991) 11.753 4.448 ( 1.608 11.627 -1.594) 11.845 4.780 ( 1.710 8.870 -1.593) 9.172 6.052 ( -9.639 3.453 2.923) 10.648 6.719 ( -3.535 -5.915 7.946) 10.518 8.637 ( 0.972 33.849 -1.133) 33.882 10.926 ( -2.577 19.683 0.816) 19.868 12.387 ( 3.199 22.952 1.652) 23.232 13.003 ( 11.835 30.942 -5.322) 33.553 14.862 ( 2.923 -7.835 -1.969) 8.591 15.521 ( 15.932 -7.332 -3.800) 17.945 44.417 ( -0.243 -16.896 -1.031) 16.929 44.493 ( -1.998 -22.469 -1.492) 22.607 97.613 ( -0.076 2.152 0.311) 2.176 97.625 ( -0.483 1.999 0.694) 2.170 99.938 ( -0.222 0.003 0.035) 0.225 99.980 ( -0.107 -0.067 0.140) 0.189 ======================= Grid point 465 (233/315) ======================= q-point: ( 0.27 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 1.954 2.517 -1.725) 3.624 1.475 ( 0.136 6.579 9.749) 11.762 1.854 ( -1.434 8.576 -0.486) 8.709 1.928 ( 1.599 1.741 -1.262) 2.679 2.059 ( 3.114 -0.257 0.171) 3.130 2.487 ( 1.242 -3.579 1.948) 4.260 3.714 ( 14.024 -3.383 -0.483) 14.434 4.061 ( 3.048 9.192 -2.625) 10.034 4.516 ( 5.019 4.608 -2.181) 7.154 4.801 ( 0.810 -0.393 -0.214) 0.926 5.889 ( -8.419 -0.927 4.451) 9.568 6.658 ( -5.384 -9.642 7.953) 13.609 8.655 ( 1.066 37.689 -0.687) 37.710 10.874 ( -2.919 18.642 0.560) 18.877 12.487 ( 6.480 28.646 1.125) 29.391 13.183 ( 8.604 36.551 -5.484) 37.948 14.890 ( 0.741 -6.135 -1.527) 6.365 15.836 ( 17.967 -8.344 -5.470) 20.551 44.406 ( -0.448 -16.597 -1.494) 16.670 44.449 ( -2.000 -20.972 -1.131) 21.098 97.613 ( -0.037 2.131 0.317) 2.155 97.618 ( -0.480 1.975 0.664) 2.138 99.934 ( -0.153 -0.107 0.128) 0.226 99.978 ( -0.136 -0.299 0.137) 0.356 ======================= Grid point 466 (234/315) ======================= q-point: ( 0.36 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 4.849 1.835 -3.162) 6.073 1.533 ( 2.595 4.588 8.438) 9.949 1.762 ( -7.534 1.126 0.916) 7.672 1.949 ( 0.360 3.431 -2.885) 4.497 2.140 ( 4.485 1.497 1.317) 4.909 2.514 ( 0.700 -6.440 3.569) 7.396 3.968 ( 12.248 -4.329 -0.256) 12.993 4.086 ( 1.178 9.996 -0.713) 10.090 4.564 ( -0.222 5.366 -3.652) 6.495 4.820 ( 2.026 -12.508 -1.106) 12.719 5.779 ( -4.640 -4.268 5.897) 8.632 6.578 ( -5.285 -12.246 7.406) 15.256 8.668 ( 0.408 40.301 -0.206) 40.304 10.826 ( -2.262 17.404 0.467) 17.556 12.619 ( 6.703 33.862 0.304) 34.520 13.286 ( 4.002 39.983 -4.656) 40.451 14.886 ( -0.713 -4.395 -0.539) 4.485 16.127 ( 14.056 -8.207 -6.896) 17.677 44.390 ( -0.697 -16.087 -1.981) 16.224 44.416 ( -1.071 -19.769 -0.674) 19.809 97.612 ( -0.355 1.910 0.588) 2.029 97.614 ( -0.033 2.108 0.365) 2.140 99.933 ( -0.034 -0.205 0.185) 0.278 99.976 ( -0.140 -0.527 0.116) 0.557 ======================= Grid point 467 (235/315) ======================= q-point: (-0.55 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 6.902 -1.165 -2.477) 7.425 1.588 ( -7.332 4.348 3.069) 9.060 1.624 ( 1.590 0.887 4.968) 5.291 1.919 ( -2.144 1.806 -3.301) 4.331 2.208 ( 1.517 2.575 2.533) 3.918 2.535 ( 0.197 -7.110 3.899) 8.111 4.072 ( 0.709 4.760 -2.260) 5.317 4.202 ( 8.915 0.843 2.915) 9.417 4.477 ( -7.173 2.684 -2.282) 7.992 4.879 ( 4.998 -16.248 -5.714) 17.934 5.752 ( -0.518 -6.840 6.483) 9.439 6.520 ( -2.892 -13.136 6.904) 15.119 8.666 ( -0.723 41.861 0.454) 41.870 10.796 ( -0.972 16.347 0.444) 16.382 12.719 ( 3.393 36.779 -0.564) 36.939 13.308 ( -0.114 41.287 -3.129) 41.406 14.866 ( -1.243 -3.864 0.542) 4.095 16.299 ( 6.180 -7.509 -7.778) 12.452 44.371 ( -0.546 -15.724 -1.711) 15.826 44.405 ( 0.073 -19.005 -0.901) 19.027 97.609 ( -0.138 1.889 0.505) 1.960 97.614 ( -0.088 2.050 0.429) 2.096 99.934 ( 0.064 -0.252 0.177) 0.315 99.974 ( -0.089 -0.680 0.103) 0.694 ======================= Grid point 468 (236/315) ======================= q-point: (-0.45 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -10.593 -0.416 2.463) 10.884 1.661 ( 4.587 1.781 1.829) 5.250 1.709 ( 5.189 3.740 2.129) 6.741 1.868 ( -1.139 0.497 -2.941) 3.192 2.204 ( -2.723 0.734 2.710) 3.911 2.539 ( -1.206 -4.425 3.377) 5.695 4.063 ( -1.069 5.798 -0.984) 5.978 4.259 ( -8.944 -5.455 -0.649) 10.497 4.391 ( 4.014 7.483 1.117) 8.565 4.958 ( 5.489 -13.822 -9.237) 17.507 5.792 ( 2.691 -9.412 5.410) 11.185 6.522 ( 0.963 -12.512 6.922) 14.331 8.645 ( -1.701 42.374 1.270) 42.427 10.793 ( 0.451 15.825 0.531) 15.840 12.728 ( -2.291 36.277 -0.807) 36.358 13.272 ( -2.745 41.013 -1.800) 41.145 14.847 ( -1.050 -4.584 1.259) 4.869 16.303 ( -3.176 -7.393 -7.876) 11.259 44.361 ( 0.001 -15.386 -1.255) 15.437 44.412 ( 1.043 -19.118 -1.249) 19.187 97.610 ( 0.018 1.960 0.489) 2.020 97.613 ( -0.078 1.951 0.436) 2.001 99.936 ( 0.101 -0.239 0.096) 0.276 99.973 ( 0.018 -0.706 0.117) 0.716 ======================= Grid point 469 (237/315) ======================= q-point: (-0.36 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -7.363 2.273 4.385) 8.866 1.652 ( -5.080 4.363 4.368) 7.995 1.810 ( 3.392 2.416 1.269) 4.354 1.914 ( 6.739 1.531 -4.140) 8.055 2.135 ( -4.793 -2.340 1.712) 5.602 2.506 ( -3.363 -0.640 3.251) 4.720 4.014 ( -10.614 -3.196 -4.207) 11.856 4.035 ( -6.278 5.230 2.869) 8.660 4.478 ( 3.649 8.916 0.339) 9.639 5.010 ( 2.807 -7.157 -10.535) 13.042 5.884 ( 5.587 -10.318 2.599) 12.018 6.595 ( 4.028 -10.984 7.224) 13.750 8.615 ( -1.760 41.519 1.907) 41.600 10.814 ( 1.494 16.009 0.845) 16.100 12.638 ( -6.547 32.394 -0.027) 33.049 13.193 ( -5.180 39.262 -1.451) 39.629 14.835 ( -0.745 -6.106 1.411) 6.311 16.137 ( -11.496 -8.071 -7.176) 15.774 44.363 ( 0.519 -15.381 -0.819) 15.411 44.436 ( 1.838 -19.853 -1.520) 19.996 97.609 ( -0.198 2.142 0.584) 2.229 97.617 ( 0.291 1.798 0.347) 1.855 99.938 ( 0.107 -0.181 -0.019) 0.212 99.975 ( 0.121 -0.585 0.138) 0.613 ======================= Grid point 470 (238/315) ======================= q-point: (-0.27 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -1.270 5.956 6.447) 8.869 1.549 ( -6.914 5.139 6.906) 11.041 1.851 ( 0.803 3.435 0.046) 3.528 1.992 ( -0.598 7.045 -5.118) 8.728 2.088 ( 2.570 -6.164 0.221) 6.682 2.436 ( -5.005 2.460 3.794) 6.745 3.722 ( -15.758 -2.756 -2.007) 16.123 3.969 ( -4.749 6.475 1.935) 8.259 4.528 ( 2.067 11.593 -2.074) 11.957 4.989 ( -1.504 0.860 -10.190) 10.336 6.012 ( 7.323 -6.779 -0.144) 9.980 6.699 ( 3.957 -8.673 7.136) 11.908 8.597 ( -0.731 38.920 1.790) 38.968 10.851 ( 1.920 16.848 1.485) 17.022 12.509 ( -6.457 26.641 0.775) 27.424 13.062 ( -8.284 35.370 -1.458) 36.357 14.824 ( -0.875 -7.694 1.063) 7.816 15.846 ( -16.368 -8.571 -5.781) 19.359 44.374 ( 0.868 -15.683 -0.459) 15.713 44.470 ( 2.243 -21.025 -1.688) 21.211 97.608 ( -0.146 2.161 0.602) 2.248 97.624 ( 0.354 1.837 0.349) 1.903 99.940 ( 0.128 -0.097 -0.108) 0.194 99.978 ( 0.148 -0.358 0.129) 0.408 ======================= Grid point 471 (239/315) ======================= q-point: (-0.18 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 3.918 9.047 6.978) 12.079 1.453 ( -5.723 5.631 9.748) 12.629 1.841 ( -1.423 5.467 -1.819) 5.935 1.924 ( -2.984 5.871 -4.126) 7.771 2.165 ( 3.553 1.082 -1.519) 4.012 2.354 ( -4.428 2.799 3.786) 6.463 3.443 ( -12.287 -0.025 -1.171) 12.343 3.847 ( -9.296 4.722 2.212) 10.659 4.548 ( 1.365 14.968 -4.764) 15.767 4.901 ( -4.182 8.339 -8.736) 12.781 6.149 ( 7.144 0.021 -1.102) 7.228 6.769 ( 0.876 -5.663 6.679) 8.800 8.599 ( 0.518 34.638 0.630) 34.648 10.893 ( 1.870 18.151 2.312) 18.392 12.423 ( -2.476 21.140 0.578) 21.292 12.876 ( -10.644 29.388 -1.005) 31.273 14.803 ( -1.726 -8.126 0.433) 8.318 15.521 ( -15.329 -8.044 -3.797) 17.723 44.391 ( 0.958 -16.118 -0.265) 16.148 44.506 ( 2.121 -22.399 -1.733) 22.565 97.608 ( -0.008 2.137 0.586) 2.216 97.631 ( 0.238 1.899 0.386) 1.952 99.942 ( 0.144 -0.001 -0.153) 0.210 99.981 ( 0.097 -0.112 0.096) 0.176 ======================= Grid point 472 (240/315) ======================= q-point: (-0.09 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 3.408 8.950 5.475) 11.032 1.403 ( -2.646 7.007 11.009) 13.315 1.809 ( -0.436 9.581 -3.275) 10.135 1.873 ( -0.975 5.269 -2.858) 6.073 2.167 ( -3.740 11.193 3.316) 12.259 2.328 ( 1.354 -2.844 -0.568) 3.201 3.285 ( -3.775 2.607 -0.523) 4.617 3.639 ( -12.204 2.692 1.536) 12.591 4.551 ( 0.687 19.428 -6.533) 20.509 4.798 ( -3.594 13.307 -5.989) 15.028 6.262 ( 4.611 6.780 -0.480) 8.214 6.774 ( -2.173 -3.319 6.326) 7.467 8.614 ( 0.917 30.031 -0.866) 30.058 10.933 ( 1.473 19.482 2.732) 19.728 12.425 ( 2.371 18.227 -0.834) 18.400 12.676 ( -9.468 23.003 0.147) 24.876 14.762 ( -2.304 -6.203 -0.039) 6.617 15.286 ( -7.826 -7.847 -2.057) 11.272 44.407 ( 0.795 -16.524 -0.270) 16.546 44.535 ( 1.385 -23.599 -1.722) 23.703 97.611 ( 0.069 2.089 0.527) 2.155 97.635 ( 0.018 1.960 0.458) 2.013 99.944 ( 0.093 0.076 -0.164) 0.203 99.982 ( 0.013 0.073 0.072) 0.103 ======================= Grid point 473 (241/315) ======================= q-point: ( 0.00 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -2.243 4.458 6.740) 8.387 1.615 ( 1.179 8.748 3.699) 9.571 1.905 ( -0.935 0.750 -1.337) 1.796 1.995 ( 4.174 4.233 -4.859) 7.678 2.282 ( -5.029 7.331 3.507) 9.557 2.428 ( 2.102 8.163 -1.199) 8.514 3.352 ( -0.703 4.779 0.491) 4.856 3.536 ( 1.080 1.449 0.442) 1.861 4.873 ( -1.932 13.225 -6.118) 14.699 4.949 ( 0.146 7.201 -4.340) 8.409 6.506 ( -2.212 10.521 4.056) 11.491 6.735 ( -1.356 0.972 6.458) 6.670 9.223 ( 0.562 32.936 -0.919) 32.953 11.270 ( 0.540 9.888 3.660) 10.557 12.803 ( -3.487 19.236 -0.401) 19.554 13.007 ( 6.499 19.545 -1.169) 20.630 14.660 ( 0.486 -3.458 -0.312) 3.505 15.038 ( 1.060 -10.012 -1.559) 10.188 44.073 ( 0.097 -18.869 -1.120) 18.903 44.094 ( 0.377 -19.966 -2.026) 20.072 97.656 ( 0.026 2.167 0.464) 2.216 97.674 ( -0.175 1.938 0.520) 2.014 99.946 ( -0.035 0.147 -0.147) 0.210 99.983 ( -0.048 -0.103 0.136) 0.177 ======================= Grid point 474 (242/315) ======================= q-point: ( 0.09 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -1.772 4.168 5.900) 7.438 1.633 ( -0.679 8.187 4.040) 9.155 1.889 ( -0.265 0.378 -0.674) 0.817 2.041 ( 2.119 4.065 -5.910) 7.480 2.197 ( -4.670 9.569 3.033) 11.071 2.450 ( 0.456 4.205 0.121) 4.232 3.347 ( 2.521 4.030 0.163) 4.756 3.704 ( 13.201 -0.236 0.304) 13.206 4.778 ( -5.544 12.149 -3.753) 13.871 4.943 ( -0.256 6.608 -3.272) 7.378 6.382 ( -11.261 8.848 4.650) 15.058 6.708 ( -4.359 -0.582 6.881) 8.166 9.258 ( 3.247 34.212 -0.987) 34.380 11.270 ( -1.529 10.151 2.389) 10.539 12.762 ( 1.014 20.925 1.337) 20.993 13.257 ( 18.148 22.500 -5.075) 29.349 14.670 ( 1.159 -5.638 -0.802) 5.812 15.141 ( 9.898 -8.512 -2.355) 13.266 44.068 ( -0.234 -19.762 -1.085) 19.793 44.092 ( 0.097 -18.806 -2.018) 18.914 97.657 ( -0.056 2.160 0.369) 2.192 97.671 ( -0.367 1.963 0.594) 2.084 99.944 ( -0.229 0.130 -0.084) 0.276 99.981 ( -0.202 -0.152 0.155) 0.296 ======================= Grid point 475 (243/315) ======================= q-point: ( 0.18 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -0.521 3.682 3.482) 5.094 1.619 ( -2.091 7.491 5.638) 9.606 1.889 ( -0.264 -2.069 1.212) 2.413 2.043 ( 0.443 5.518 -3.749) 6.685 2.136 ( -2.062 9.013 -0.995) 9.299 2.449 ( -0.853 0.675 2.043) 2.314 3.460 ( 8.812 1.248 -0.376) 8.908 3.963 ( 13.127 -1.894 -0.512) 13.273 4.659 ( -5.783 9.605 -1.567) 11.321 4.909 ( -2.749 4.327 -1.399) 5.314 6.149 ( -14.043 5.940 4.090) 15.787 6.613 ( -7.823 -4.929 7.661) 12.008 9.326 ( 3.890 35.933 -0.634) 36.148 11.230 ( -3.184 10.248 1.211) 10.799 12.858 ( 8.223 24.638 1.477) 26.016 13.600 ( 19.032 28.760 -7.146) 35.220 14.705 ( 2.844 -7.904 -1.587) 8.549 15.374 ( 15.247 -7.654 -3.382) 17.392 44.058 ( -0.438 -19.799 -1.062) 19.832 44.086 ( -0.065 -17.603 -1.975) 17.714 97.656 ( -0.117 2.115 0.304) 2.140 97.665 ( -0.471 1.977 0.628) 2.127 99.938 ( -0.315 0.063 0.007) 0.322 99.976 ( -0.316 -0.297 0.155) 0.460 ======================= Grid point 476 (244/315) ======================= q-point: ( 0.27 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 0.813 3.206 -0.092) 3.309 1.601 ( -1.714 5.673 6.985) 9.160 1.861 ( -3.873 -2.874 3.772) 6.122 2.071 ( 3.267 8.128 -1.168) 8.837 2.102 ( -0.394 3.987 -4.753) 6.216 2.435 ( -1.590 -1.603 4.168) 4.740 3.655 ( 11.417 -2.091 0.070) 11.607 4.162 ( 7.862 -0.269 -2.459) 8.242 4.570 ( -3.046 3.056 0.813) 4.391 4.824 ( -6.292 1.744 0.138) 6.531 5.908 ( -11.944 2.686 3.499) 12.733 6.476 ( -8.708 -8.762 7.591) 14.500 9.391 ( 2.997 36.966 -0.118) 37.087 11.165 ( -3.751 10.087 0.468) 10.772 13.055 ( 11.484 28.675 0.941) 30.904 13.893 ( 13.771 34.858 -7.300) 38.184 14.757 ( 2.966 -7.443 -2.024) 8.264 15.675 ( 17.376 -8.061 -4.872) 19.765 44.047 ( -0.382 -19.025 -1.049) 19.058 44.078 ( -0.124 -16.724 -1.924) 16.834 97.654 ( -0.217 1.983 0.360) 2.027 97.658 ( -0.384 2.023 0.540) 2.128 99.933 ( -0.265 -0.040 0.104) 0.287 99.970 ( -0.365 -0.487 0.128) 0.622 ======================= Grid point 477 (245/315) ======================= q-point: ( 0.36 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 2.315 1.334 -2.380) 3.578 1.600 ( -0.815 1.601 6.712) 6.949 1.780 ( -5.397 1.944 4.673) 7.399 2.046 ( -2.550 5.112 -3.590) 6.747 2.183 ( 6.566 2.806 -1.007) 7.211 2.417 ( -1.746 -3.109 5.553) 6.599 3.873 ( 11.030 -4.662 0.448) 11.983 4.247 ( 2.930 4.725 -2.456) 6.078 4.550 ( -0.805 -9.250 1.561) 9.416 4.677 ( -8.156 1.919 -0.128) 8.379 5.741 ( -6.671 0.212 3.373) 7.478 6.347 ( -6.985 -11.118 6.848) 14.809 9.435 ( 1.591 37.494 0.443) 37.530 11.099 ( -3.134 9.696 0.142) 10.191 13.266 ( 9.924 31.368 0.151) 32.900 14.065 ( 6.786 38.464 -6.135) 39.536 14.792 ( 1.061 -5.293 -1.356) 5.566 15.967 ( 14.563 -8.061 -6.621) 17.913 44.038 ( -0.094 -18.049 -1.067) 18.081 44.070 ( -0.097 -16.097 -1.875) 16.206 97.650 ( -0.337 1.899 0.502) 1.993 97.655 ( -0.145 1.996 0.375) 2.036 99.929 ( -0.123 -0.150 0.174) 0.261 99.964 ( -0.318 -0.657 0.086) 0.735 ======================= Grid point 478 (246/315) ======================= q-point: (-0.55 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -1.142 -3.052 -0.828) 3.362 1.607 ( 0.685 -1.919 3.426) 3.986 1.729 ( -0.721 7.704 5.245) 9.348 1.982 ( -2.963 4.125 -2.520) 5.669 2.273 ( 1.272 3.619 1.586) 4.151 2.421 ( 1.436 -4.388 3.832) 6.000 4.041 ( 5.922 -5.089 -1.186) 7.898 4.299 ( 2.021 7.005 2.181) 7.610 4.446 ( -7.070 -11.468 0.780) 13.495 4.630 ( 2.747 -3.479 -3.930) 5.924 5.673 ( -2.036 -1.471 3.710) 4.480 6.270 ( -3.057 -12.147 6.125) 13.943 9.452 ( -0.047 37.885 1.003) 37.898 11.054 ( -1.616 9.233 0.173) 9.375 13.403 ( 4.074 32.181 -0.506) 32.442 14.118 ( 0.915 40.320 -4.506) 40.581 14.788 ( -1.175 -4.167 0.125) 4.332 16.151 ( 6.690 -7.600 -7.822) 12.795 44.037 ( 0.300 -17.381 -1.138) 17.421 44.063 ( 0.013 -15.701 -1.826) 15.807 97.646 ( -0.141 1.887 0.462) 1.948 97.654 ( -0.140 1.917 0.412) 1.965 99.929 ( 0.034 -0.224 0.179) 0.289 99.959 ( -0.163 -0.757 0.062) 0.777 ======================= Grid point 479 (247/315) ======================= q-point: (-0.45 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -5.985 -0.609 2.670) 6.582 1.672 ( 4.462 -3.313 0.224) 5.562 1.766 ( 1.799 5.468 5.182) 7.745 1.930 ( -1.587 4.389 -0.422) 4.686 2.240 ( -4.155 2.785 2.147) 5.443 2.481 ( 2.746 -1.727 1.221) 3.466 4.072 ( -2.350 -4.833 -3.037) 6.173 4.204 ( -8.466 -1.158 4.412) 9.617 4.504 ( 7.993 3.212 1.130) 8.688 4.704 ( 7.491 -9.429 -8.056) 14.489 5.677 ( 1.117 -2.671 4.014) 4.949 6.279 ( 2.029 -12.107 5.933) 13.634 9.440 ( -1.673 38.191 1.490) 38.256 11.042 ( 0.248 8.904 0.561) 8.925 13.401 ( -4.273 31.519 -0.256) 31.808 14.080 ( -3.525 40.485 -3.099) 40.756 14.755 ( -2.346 -4.787 1.287) 5.484 16.157 ( -3.523 -7.575 -7.931) 11.519 44.042 ( 0.650 -17.186 -1.239) 17.243 44.059 ( 0.203 -15.686 -1.790) 15.789 97.648 ( 0.118 1.870 0.418) 1.919 97.652 ( -0.167 1.905 0.469) 1.969 99.931 ( 0.138 -0.229 0.096) 0.284 99.959 ( 0.074 -0.761 0.086) 0.770 ======================= Grid point 480 (248/315) ======================= q-point: (-0.36 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -2.998 4.483 4.063) 6.752 1.716 ( -1.455 0.979 1.165) 2.105 1.812 ( 1.861 0.628 5.908) 6.225 1.939 ( 1.988 -0.826 0.743) 2.278 2.173 ( -1.877 6.308 -1.739) 6.808 2.511 ( 0.049 0.657 0.790) 1.029 3.920 ( -11.256 -4.565 -1.950) 12.302 4.113 ( -3.749 0.839 2.933) 4.833 4.632 ( 5.397 6.391 -1.079) 8.434 4.863 ( 10.985 -6.882 -9.693) 16.186 5.750 ( 5.723 -3.243 4.114) 7.758 6.377 ( 6.014 -11.094 6.163) 14.044 9.402 ( -2.779 38.169 1.777) 38.311 11.065 ( 1.758 8.829 1.332) 9.100 13.253 ( -10.833 29.624 1.160) 31.563 13.964 ( -8.107 38.239 -2.589) 39.175 14.712 ( -2.586 -6.266 1.629) 6.972 15.979 ( -12.322 -8.142 -6.849) 16.280 44.052 ( 0.765 -16.882 -1.210) 16.942 44.060 ( 0.524 -16.691 -1.894) 16.806 97.650 ( -0.161 1.971 0.527) 2.046 97.653 ( 0.321 1.844 0.388) 1.911 99.934 ( 0.191 -0.168 -0.034) 0.257 99.963 ( 0.295 -0.665 0.136) 0.740 ======================= Grid point 481 (249/315) ======================= q-point: (-0.27 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 2.125 8.016 4.480) 9.426 1.648 ( -5.803 4.873 6.478) 9.969 1.865 ( 1.820 -0.899 2.652) 3.340 1.963 ( 0.074 -5.150 0.071) 5.151 2.188 ( 4.331 10.248 -4.616) 12.045 2.492 ( -2.201 2.887 1.318) 3.863 3.683 ( -12.534 -1.008 -1.774) 12.699 4.037 ( -5.961 0.316 2.972) 6.668 4.717 ( 4.955 7.729 -4.807) 10.363 4.999 ( 5.809 0.115 -9.217) 10.895 5.930 ( 11.850 -1.362 3.465) 12.422 6.526 ( 7.078 -8.883 6.383) 13.029 9.350 ( -3.202 37.414 1.616) 37.585 11.112 ( 2.535 8.971 2.467) 9.643 13.034 ( -11.952 26.334 2.389) 29.018 13.751 ( -13.611 33.647 -2.445) 36.378 14.672 ( -2.093 -7.512 1.370) 7.917 15.679 ( -16.534 -8.534 -4.900) 19.241 44.061 ( 0.526 -15.834 -1.145) 15.884 44.069 ( 0.986 -19.139 -2.011) 19.270 97.650 ( -0.094 2.057 0.556) 2.133 97.661 ( 0.384 1.843 0.393) 1.923 99.938 ( 0.236 -0.068 -0.130) 0.278 99.970 ( 0.378 -0.496 0.153) 0.642 ======================= Grid point 482 (250/315) ======================= q-point: (-0.18 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 4.371 8.355 3.771) 10.156 1.571 ( -4.223 6.386 8.947) 11.775 1.894 ( 1.025 0.636 0.143) 1.215 1.955 ( -0.341 -1.997 -1.757) 2.682 2.274 ( 5.513 8.640 -4.568) 11.221 2.443 ( -3.435 5.535 2.585) 7.008 3.465 ( -9.254 2.308 -1.272) 9.622 3.891 ( -10.491 -0.053 2.422) 10.767 4.795 ( 5.161 10.180 -6.795) 13.283 5.028 ( 0.632 4.630 -7.787) 9.081 6.189 ( 13.604 3.794 2.563) 14.354 6.662 ( 4.649 -5.213 6.498) 9.540 9.293 ( -3.164 35.698 0.838) 35.847 11.172 ( 2.665 9.231 3.677) 10.288 12.853 ( -7.228 22.352 2.136) 23.589 13.446 ( -17.332 27.493 -1.749) 32.547 14.647 ( -0.797 -7.376 0.787) 7.461 15.360 ( -15.098 -8.383 -2.846) 17.503 44.067 ( 0.514 -16.610 -1.179) 16.660 44.081 ( 0.935 -20.047 -1.993) 20.168 97.651 ( 0.003 2.130 0.564) 2.203 97.669 ( 0.285 1.861 0.413) 1.927 99.942 ( 0.243 0.037 -0.172) 0.300 99.977 ( 0.303 -0.309 0.139) 0.455 ======================= Grid point 483 (251/315) ======================= q-point: (-0.09 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -0.522 5.234 5.365) 7.513 1.570 ( 1.334 9.005 6.372) 11.112 1.915 ( 1.051 1.288 -1.006) 1.943 1.948 ( 1.028 1.882 -3.190) 3.844 2.339 ( 0.676 4.518 -1.995) 4.984 2.395 ( -0.777 10.732 2.080) 10.959 3.352 ( -2.048 4.234 -0.500) 4.729 3.673 ( -12.033 0.823 1.446) 12.148 4.863 ( 4.096 12.170 -7.220) 14.731 4.991 ( -1.876 6.956 -5.888) 9.305 6.422 ( 9.140 8.850 2.704) 13.007 6.730 ( 0.344 -1.220 6.662) 6.782 9.242 ( -2.136 33.651 -0.225) 33.720 11.231 ( 2.081 9.557 4.238) 10.660 12.795 ( 0.715 19.328 0.147) 19.342 13.126 ( -14.753 22.093 -0.255) 26.567 14.648 ( 0.605 -5.266 0.126) 5.302 15.120 ( -8.903 -9.015 -1.559) 12.765 44.072 ( 0.379 -17.692 -1.157) 17.734 44.090 ( 0.699 -20.416 -2.008) 20.527 97.653 ( 0.058 2.161 0.535) 2.227 97.674 ( 0.069 1.898 0.454) 1.953 99.946 ( 0.153 0.114 -0.175) 0.260 99.981 ( 0.135 -0.163 0.128) 0.247 ======================= Grid point 484 (252/315) ======================= q-point: ( 0.00 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -2.207 5.370 4.096) 7.105 1.763 ( 0.427 5.618 2.425) 6.134 1.880 ( -0.193 -2.495 -1.476) 2.905 2.014 ( 3.843 -1.053 -2.737) 4.834 2.438 ( -2.356 8.176 -0.182) 8.510 2.576 ( -0.651 5.576 -0.107) 5.615 3.443 ( -0.469 4.348 0.597) 4.414 3.557 ( 0.403 0.535 0.656) 0.937 5.038 ( -2.725 4.046 -4.631) 6.726 5.056 ( 0.692 4.330 -6.146) 7.550 6.685 ( -3.313 7.414 6.943) 10.684 6.778 ( -0.633 2.873 5.850) 6.548 9.888 ( 0.883 34.254 0.358) 34.268 11.309 ( 0.798 -6.216 3.910) 7.387 13.168 ( -1.959 17.557 -0.648) 17.677 13.349 ( 5.733 14.540 -0.778) 15.649 14.609 ( 0.375 -1.762 -0.162) 1.809 14.835 ( 1.272 -10.309 -1.326) 10.472 43.728 ( 0.046 -14.071 -2.143) 14.233 43.775 ( 0.358 -13.682 -1.866) 13.813 97.694 ( 0.011 1.702 0.474) 1.767 97.707 ( -0.128 1.329 0.499) 1.426 99.951 ( -0.032 0.310 -0.107) 0.330 99.978 ( -0.043 -0.376 0.120) 0.397 ======================= Grid point 485 (253/315) ======================= q-point: ( 0.09 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -2.037 4.846 4.233) 6.749 1.755 ( -1.907 2.497 2.372) 3.936 1.878 ( 0.199 0.606 -0.589) 0.868 2.064 ( 2.457 -0.922 -4.031) 4.810 2.381 ( -3.625 8.625 0.557) 9.372 2.538 ( -3.185 3.754 0.896) 5.004 3.439 ( 1.594 5.072 0.387) 5.331 3.682 ( 9.997 -2.073 0.724) 10.235 4.948 ( -5.435 5.657 -3.419) 8.558 5.028 ( -2.079 2.347 -3.550) 4.736 6.541 ( -13.179 7.167 7.007) 16.558 6.710 ( -8.504 0.422 6.506) 10.716 9.938 ( 3.993 34.565 -0.216) 34.795 11.321 ( -0.724 -5.318 2.426) 5.890 13.169 ( 4.160 20.212 0.641) 20.645 13.622 ( 21.049 13.332 -4.808) 25.376 14.591 ( -0.781 -1.824 -0.580) 2.067 14.967 ( 11.580 -9.168 -2.323) 14.952 43.724 ( 0.240 -13.853 -1.870) 13.981 43.776 ( 0.418 -13.708 -1.903) 13.846 97.695 ( -0.104 1.660 0.392) 1.709 97.704 ( -0.327 1.376 0.538) 1.514 99.948 ( -0.273 0.298 -0.056) 0.408 99.975 ( -0.288 -0.411 0.135) 0.520 ======================= Grid point 486 (254/315) ======================= q-point: ( 0.18 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -0.969 4.227 3.622) 5.651 1.714 ( -3.252 0.524 3.311) 4.671 1.873 ( -0.959 2.256 1.133) 2.701 2.086 ( 1.485 -0.580 -4.333) 4.617 2.313 ( -3.554 8.139 0.354) 8.888 2.476 ( -3.601 1.641 2.474) 4.667 3.514 ( 5.895 4.258 0.348) 7.280 3.886 ( 10.661 -5.610 0.412) 12.054 4.815 ( -7.640 6.277 -1.577) 10.013 4.957 ( -4.652 0.898 -1.153) 4.876 6.268 ( -16.761 5.982 5.481) 18.621 6.527 ( -12.263 -3.862 7.211) 14.741 10.017 ( 3.972 34.021 -0.264) 34.253 11.296 ( -2.438 -3.861 1.074) 4.690 13.329 ( 11.821 23.066 0.645) 25.927 14.051 ( 25.043 13.683 -7.424) 29.487 14.597 ( 1.710 -0.177 -1.209) 2.102 15.218 ( 15.506 -8.528 -3.475) 18.035 43.725 ( 0.452 -13.316 -1.606) 13.420 43.779 ( 0.464 -13.432 -1.898) 13.574 97.693 ( -0.215 1.583 0.328) 1.631 97.699 ( -0.430 1.414 0.551) 1.578 99.941 ( -0.405 0.241 0.015) 0.471 99.968 ( -0.460 -0.498 0.137) 0.691 ======================= Grid point 487 (255/315) ======================= q-point: ( 0.27 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -0.396 3.514 1.672) 3.912 1.657 ( -4.051 -0.658 4.241) 5.902 1.853 ( -1.606 2.972 3.866) 5.134 2.099 ( 1.289 -1.648 -4.182) 4.676 2.257 ( -2.105 7.683 0.071) 7.967 2.425 ( -2.774 0.327 3.991) 4.872 3.649 ( 7.900 1.779 1.058) 8.166 4.062 ( 7.586 -8.414 -0.596) 11.344 4.661 ( -8.244 5.491 0.779) 9.936 4.843 ( -7.273 -0.015 0.295) 7.279 5.982 ( -14.204 4.588 3.689) 15.376 6.319 ( -11.572 -7.296 6.724) 15.244 10.079 ( 2.591 32.843 0.078) 32.945 11.241 ( -3.318 -2.605 0.277) 4.227 13.582 ( 13.865 24.765 0.122) 28.382 14.466 ( 20.198 13.992 -7.972) 25.832 14.639 ( 3.090 4.318 -1.912) 5.643 15.516 ( 17.052 -8.547 -4.829) 19.676 43.730 ( 0.614 -12.637 -1.426) 12.732 43.782 ( 0.483 -12.949 -1.865) 13.092 97.689 ( -0.345 1.490 0.376) 1.575 97.693 ( -0.351 1.430 0.460) 1.543 99.933 ( -0.382 0.142 0.093) 0.418 99.959 ( -0.511 -0.597 0.115) 0.794 ======================= Grid point 488 (256/315) ======================= q-point: ( 0.36 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -1.403 1.556 -0.496) 2.153 1.591 ( -4.051 -1.935 4.543) 6.387 1.851 ( -0.115 4.849 5.680) 7.470 2.092 ( -1.373 -0.839 -2.006) 2.572 2.260 ( 3.016 4.955 -0.484) 5.821 2.392 ( -2.404 -0.001 4.443) 5.051 3.807 ( 8.046 -1.583 1.595) 8.354 4.161 ( 3.134 -11.013 -1.373) 11.532 4.516 ( -7.568 4.486 2.698) 9.202 4.704 ( -6.604 0.130 0.115) 6.606 5.778 ( -8.219 3.354 2.550) 9.236 6.148 ( -8.285 -9.194 5.612) 13.590 10.115 ( 1.235 31.676 0.556) 31.705 11.180 ( -3.014 -1.744 -0.022) 3.482 13.819 ( 10.455 24.719 -0.403) 26.842 14.671 ( 2.685 -6.422 -1.549) 7.131 14.754 ( 10.445 30.354 -7.045) 32.864 15.806 ( 14.641 -8.812 -6.437) 18.260 43.738 ( 0.673 -12.038 -1.375) 12.135 43.785 ( 0.450 -12.412 -1.830) 12.554 97.683 ( -0.341 1.459 0.437) 1.561 97.689 ( -0.238 1.368 0.377) 1.439 99.928 ( -0.231 0.024 0.151) 0.277 99.951 ( -0.415 -0.667 0.078) 0.790 ======================= Grid point 489 (257/315) ======================= q-point: (-0.55 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -2.685 -0.485 0.246) 2.740 1.553 ( -0.782 -3.274 3.239) 4.672 1.875 ( 0.348 6.806 5.199) 8.571 2.047 ( -2.801 1.861 1.153) 3.555 2.336 ( 1.332 2.609 0.276) 2.942 2.369 ( 1.731 -0.910 2.284) 3.007 3.942 ( 5.067 -4.285 0.827) 6.687 4.166 ( -2.668 -13.447 0.790) 13.731 4.428 ( -0.479 5.953 1.257) 6.103 4.623 ( -1.517 -0.278 -1.100) 1.894 5.684 ( -2.942 2.317 2.449) 4.475 6.052 ( -3.362 -9.999 4.757) 11.572 10.129 ( -0.060 30.985 1.018) 31.001 11.134 ( -1.733 -1.326 0.101) 2.184 13.952 ( 3.431 23.634 -0.525) 23.887 14.689 ( -0.208 -4.308 -0.595) 4.354 14.854 ( 2.150 32.218 -5.220) 32.708 15.993 ( 6.742 -9.031 -7.543) 13.562 43.746 ( 0.618 -11.709 -1.462) 11.816 43.787 ( 0.353 -11.984 -1.815) 12.126 97.680 ( -0.156 1.443 0.424) 1.512 97.686 ( -0.178 1.311 0.399) 1.382 99.926 ( -0.021 -0.071 0.159) 0.175 99.945 ( -0.187 -0.687 0.052) 0.714 ======================= Grid point 490 (258/315) ======================= q-point: (-0.45 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -1.482 1.206 2.239) 2.944 1.587 ( 3.336 -4.729 1.542) 5.989 1.885 ( -1.040 5.766 4.526) 7.403 1.994 ( -4.085 1.885 4.229) 6.175 2.309 ( -1.215 4.086 -0.259) 4.271 2.458 ( 4.510 -0.894 -0.339) 4.610 3.966 ( -3.168 -4.826 -0.290) 5.780 4.104 ( -3.030 -8.276 2.851) 9.263 4.531 ( 10.533 1.631 -1.246) 10.731 4.637 ( 3.439 -0.275 -3.094) 4.634 5.674 ( 0.938 2.023 3.072) 3.796 6.058 ( 2.396 -10.349 4.727) 11.627 10.119 ( -1.349 31.000 1.392) 31.060 11.119 ( -0.012 -1.377 0.633) 1.516 13.936 ( -5.098 22.905 0.212) 23.467 14.655 ( -3.724 -5.639 1.203) 6.864 14.816 ( -4.067 33.883 -4.351) 34.402 15.997 ( -3.931 -9.314 -7.549) 12.617 43.752 ( 0.474 -11.748 -1.663) 11.875 43.787 ( 0.218 -11.797 -1.820) 11.938 97.680 ( 0.077 1.404 0.399) 1.462 97.684 ( -0.113 1.327 0.458) 1.409 99.928 ( 0.164 -0.100 0.090) 0.212 99.945 ( 0.123 -0.662 0.067) 0.677 ======================= Grid point 491 (259/315) ======================= q-point: (-0.36 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 1.634 4.999 3.089) 6.099 1.674 ( 5.008 -4.076 0.506) 6.477 1.861 ( -3.902 3.075 7.481) 8.980 1.921 ( -3.736 -0.373 3.051) 4.838 2.315 ( 2.341 7.138 -2.760) 8.003 2.519 ( 2.086 -0.076 -0.742) 2.216 3.853 ( -7.720 -1.944 -0.532) 7.979 4.062 ( -3.098 -5.506 2.611) 6.836 4.719 ( 6.463 2.508 -3.947) 7.977 4.774 ( 14.496 -1.949 -5.457) 15.611 5.748 ( 6.214 2.637 4.512) 8.120 6.168 ( 7.369 -10.155 5.367) 13.646 10.088 ( -2.444 31.646 1.639) 31.783 11.136 ( 1.388 -1.873 1.543) 2.796 13.770 ( -12.256 22.882 1.831) 26.023 14.535 ( -10.456 0.464 2.245) 10.704 14.703 ( -5.425 24.142 -3.897) 25.049 15.810 ( -12.861 -9.576 -6.354) 17.247 43.753 ( 0.287 -12.144 -1.938) 12.301 43.784 ( 0.105 -11.905 -1.814) 12.043 97.684 ( 0.032 1.386 0.422) 1.449 97.686 ( 0.198 1.379 0.486) 1.476 99.932 ( 0.284 -0.042 -0.024) 0.288 99.950 ( 0.404 -0.613 0.109) 0.743 ======================= Grid point 492 (260/315) ======================= q-point: (-0.27 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 4.128 7.590 2.545) 9.007 1.730 ( -2.021 2.848 3.797) 5.159 1.819 ( 0.492 -3.128 5.419) 6.276 1.896 ( -0.318 -1.889 1.147) 2.233 2.370 ( 4.254 8.006 -3.741) 9.808 2.538 ( 0.459 1.626 -0.637) 1.805 3.691 ( -8.791 1.924 -1.087) 9.064 3.988 ( -5.823 -4.790 2.524) 7.951 4.836 ( 7.504 4.731 -6.557) 11.031 4.992 ( 9.577 -0.883 -7.506) 12.200 5.956 ( 14.111 3.691 5.800) 15.696 6.356 ( 10.171 -8.429 6.063) 14.535 10.039 ( -3.363 32.536 1.712) 32.754 11.176 ( 1.992 -2.798 2.757) 4.404 13.515 ( -14.653 22.379 3.227) 26.943 14.262 ( -18.396 10.819 0.186) 21.342 14.609 ( -3.601 8.159 -1.285) 9.010 15.506 ( -16.583 -9.539 -4.322) 19.613 43.750 ( 0.099 -12.773 -2.218) 12.964 43.780 ( 0.081 -12.279 -1.779) 12.407 97.685 ( 0.034 1.527 0.515) 1.612 97.693 ( 0.351 1.311 0.443) 1.428 99.938 ( 0.356 0.075 -0.104) 0.378 99.959 ( 0.520 -0.548 0.124) 0.765 ======================= Grid point 493 (261/315) ======================= q-point: (-0.18 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 2.493 7.102 1.390) 7.655 1.693 ( -1.424 5.841 7.363) 9.506 1.870 ( 2.298 -3.443 -0.405) 4.159 1.905 ( 0.976 -2.162 1.165) 2.643 2.438 ( 3.720 7.436 -3.894) 9.181 2.542 ( 0.366 4.047 0.121) 4.065 3.534 ( -6.914 4.648 -0.897) 8.379 3.852 ( -9.265 -3.697 1.847) 10.145 4.951 ( 6.669 6.010 -7.547) 11.728 5.084 ( 3.277 1.256 -7.617) 8.387 6.283 ( 17.219 5.406 5.390) 18.836 6.567 ( 9.398 -4.508 6.487) 12.277 9.973 ( -4.017 33.247 1.551) 33.525 11.224 ( 1.939 -4.181 3.995) 6.099 13.278 ( -10.538 20.621 3.061) 23.359 13.874 ( -21.610 13.145 -0.651) 25.302 14.561 ( -1.105 1.007 0.043) 1.496 15.190 ( -15.154 -9.272 -2.371) 17.923 43.744 ( -0.039 -13.426 -2.377) 13.635 43.776 ( 0.159 -12.820 -1.763) 12.941 97.688 ( 0.086 1.642 0.541) 1.731 97.701 ( 0.288 1.280 0.449) 1.387 99.945 ( 0.342 0.195 -0.136) 0.417 99.969 ( 0.440 -0.472 0.115) 0.655 ======================= Grid point 494 (262/315) ======================= q-point: (-0.09 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -1.349 5.738 3.195) 6.704 1.728 ( 1.918 6.907 4.159) 8.288 1.887 ( 0.254 -3.821 -1.638) 4.165 1.948 ( 3.276 -0.924 -0.401) 3.427 2.466 ( 0.080 7.127 -2.145) 7.444 2.563 ( 1.577 6.029 -0.079) 6.232 3.445 ( -1.911 5.118 -0.172) 5.466 3.669 ( -9.689 -1.283 1.173) 9.844 5.031 ( 4.059 5.418 -7.253) 9.922 5.087 ( -0.292 3.076 -6.424) 7.128 6.583 ( 11.352 7.148 5.155) 14.371 6.723 ( 4.395 0.316 6.710) 8.028 9.907 ( -2.926 33.724 1.091) 33.868 11.272 ( 1.577 -5.677 4.569) 7.456 13.167 ( -1.580 18.168 0.943) 18.261 13.495 ( -16.745 14.256 -0.085) 21.992 14.572 ( 2.052 -1.871 0.163) 2.781 14.939 ( -10.267 -9.430 -1.247) 13.996 43.735 ( -0.061 -13.907 -2.339) 14.102 43.775 ( 0.270 -13.350 -1.805) 13.474 97.692 ( 0.085 1.702 0.528) 1.784 97.706 ( 0.103 1.289 0.468) 1.375 99.949 ( 0.206 0.278 -0.134) 0.370 99.976 ( 0.223 -0.404 0.110) 0.474 ======================= Grid point 495 (263/315) ======================= q-point: ( 0.00 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -2.164 6.211 1.831) 6.827 1.753 ( -2.182 -5.315 0.865) 5.810 1.905 ( 2.788 4.123 -0.585) 5.011 1.975 ( 3.230 -2.841 -1.238) 4.476 2.574 ( -1.670 5.196 -0.864) 5.525 2.629 ( -1.373 -0.196 -0.555) 1.494 3.515 ( -0.276 2.866 0.713) 2.966 3.553 ( -0.060 -1.018 0.749) 1.265 5.087 ( -1.417 1.500 -5.098) 5.500 5.100 ( -0.868 0.397 -5.798) 5.876 6.792 ( -2.838 3.487 7.471) 8.719 6.819 ( -1.384 0.682 6.401) 6.584 10.528 ( 1.118 30.331 1.796) 30.405 11.038 ( 1.071 -20.825 3.099) 21.082 13.455 ( 0.430 10.527 -0.580) 10.552 13.533 ( 3.495 3.142 -0.492) 4.726 14.594 ( 0.674 0.686 -0.363) 1.028 14.662 ( 1.237 -6.545 -0.923) 6.724 43.550 ( 0.133 -3.870 -2.306) 4.507 43.575 ( 0.238 -6.193 -2.195) 6.575 97.719 ( -0.025 0.789 0.483) 0.925 97.724 ( -0.075 0.327 0.490) 0.594 99.959 ( -0.034 0.483 -0.033) 0.485 99.969 ( -0.038 -0.524 0.053) 0.529 ======================= Grid point 496 (264/315) ======================= q-point: ( 0.09 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -2.434 5.786 2.643) 6.811 1.708 ( -2.842 -5.173 1.767) 6.161 1.946 ( 1.712 4.521 -1.131) 4.965 2.023 ( 2.240 -3.133 -2.408) 4.542 2.518 ( -3.929 5.087 0.226) 6.431 2.573 ( -4.217 -0.449 0.585) 4.281 3.538 ( 2.904 4.883 0.675) 5.721 3.624 ( 6.094 -3.780 0.830) 7.219 5.021 ( -4.208 2.228 -3.316) 5.803 5.045 ( -3.341 -0.316 -3.488) 4.840 6.654 ( -13.419 4.282 7.575) 15.994 6.707 ( -11.963 -1.156 6.969) 13.893 10.576 ( 3.047 29.790 0.703) 29.953 11.069 ( 1.160 -19.796 1.683) 19.901 13.525 ( 8.124 15.342 -0.605) 17.370 13.723 ( 15.380 -3.420 -2.720) 15.989 14.629 ( 4.589 5.877 -1.465) 7.599 14.786 ( 10.792 -9.177 -2.184) 14.333 43.549 ( 0.544 -3.761 -2.082) 4.333 43.576 ( 0.561 -6.233 -2.078) 6.594 97.719 ( -0.181 0.730 0.433) 0.867 97.722 ( -0.261 0.387 0.484) 0.672 99.955 ( -0.311 0.480 0.003) 0.572 99.966 ( -0.322 -0.539 0.076) 0.633 ======================= Grid point 497 (265/315) ======================= q-point: ( 0.18 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -1.854 4.901 3.322) 6.204 1.660 ( -3.015 -4.502 2.911) 6.151 1.958 ( -0.242 4.900 -0.489) 4.930 2.042 ( 0.650 -3.516 -2.476) 4.349 2.439 ( -4.267 4.584 0.990) 6.340 2.490 ( -4.528 -0.696 1.709) 4.889 3.621 ( 5.284 6.517 0.836) 8.431 3.758 ( 7.240 -7.140 0.850) 10.204 4.908 ( -6.913 3.358 -1.373) 7.807 4.952 ( -5.785 -1.286 -1.158) 6.038 6.374 ( -17.391 4.748 6.405) 19.131 6.455 ( -15.796 -3.699 6.858) 17.613 10.629 ( 2.166 27.939 0.132) 28.023 11.082 ( -0.343 -17.618 0.617) 17.632 13.742 ( 14.144 18.766 -0.920) 23.517 14.043 ( 18.001 -10.925 -3.441) 21.336 14.770 ( 11.192 14.014 -3.615) 18.295 15.027 ( 15.232 -11.425 -3.864) 19.428 43.557 ( 0.889 -3.633 -1.845) 4.171 43.583 ( 0.823 -6.069 -1.935) 6.423 97.715 ( -0.309 0.656 0.387) 0.822 97.717 ( -0.378 0.444 0.466) 0.746 99.948 ( -0.481 0.447 0.049) 0.659 99.958 ( -0.511 -0.558 0.096) 0.763 ======================= Grid point 498 (266/315) ======================= q-point: ( 0.27 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -1.975 3.510 2.918) 4.973 1.609 ( -3.600 -3.270 3.549) 6.021 1.943 ( -0.976 5.176 1.533) 5.486 2.038 ( -0.188 -4.282 -1.228) 4.458 2.375 ( -2.694 4.272 1.100) 5.170 2.424 ( -2.949 -0.966 2.290) 3.856 3.728 ( 5.371 6.206 1.391) 8.325 3.882 ( 5.244 -9.145 0.813) 10.573 4.759 ( -8.379 4.206 0.462) 9.387 4.821 ( -7.751 -2.157 0.387) 8.055 6.080 ( -14.781 5.306 4.538) 16.347 6.190 ( -13.758 -6.019 5.634) 16.039 10.656 ( 0.689 25.685 0.107) 25.695 11.063 ( -1.615 -15.398 0.146) 15.483 14.012 ( 13.825 19.083 -1.233) 23.597 14.330 ( 12.672 -13.471 -2.750) 18.698 15.014 ( 15.370 19.267 -5.946) 25.354 15.319 ( 16.777 -12.265 -5.352) 21.460 43.570 ( 1.057 -3.514 -1.670) 4.032 43.594 ( 0.945 -5.770 -1.812) 6.121 97.710 ( -0.384 0.616 0.386) 0.823 97.712 ( -0.375 0.453 0.415) 0.720 99.938 ( -0.489 0.378 0.093) 0.625 99.948 ( -0.547 -0.559 0.102) 0.788 ======================= Grid point 499 (267/315) ======================= q-point: ( 0.36 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -3.604 2.205 1.448) 4.466 1.544 ( -4.242 -2.598 3.204) 5.917 1.951 ( 0.976 5.014 4.131) 6.570 2.040 ( 0.391 -3.907 1.610) 4.244 2.348 ( -0.313 3.492 0.387) 3.527 2.390 ( -1.635 -0.827 1.888) 2.631 3.825 ( 4.283 3.671 1.901) 5.953 3.952 ( 1.813 -9.103 1.003) 9.335 4.612 ( -6.962 4.476 1.299) 8.378 4.680 ( -6.712 -2.436 0.680) 7.173 5.865 ( -9.033 5.398 2.994) 10.941 5.988 ( -9.016 -7.204 4.169) 12.270 10.660 ( -0.188 23.705 0.345) 23.709 11.029 ( -1.869 -13.588 0.081) 13.716 14.227 ( 8.860 17.135 -1.211) 19.328 14.498 ( 6.147 -10.982 -1.777) 12.710 15.266 ( 12.310 21.383 -6.722) 25.573 15.599 ( 13.943 -13.124 -6.474) 20.213 43.585 ( 0.993 -3.431 -1.610) 3.918 43.606 ( 0.875 -5.442 -1.753) 5.784 97.704 ( -0.335 0.626 0.398) 0.814 97.706 ( -0.303 0.408 0.381) 0.635 99.931 ( -0.341 0.281 0.121) 0.458 99.939 ( -0.416 -0.528 0.093) 0.678 ======================= Grid point 500 (268/315) ======================= q-point: (-0.55 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -2.717 1.975 1.247) 3.583 1.487 ( -2.062 -3.242 2.274) 4.465 1.986 ( 0.282 4.457 5.426) 7.027 2.047 ( -1.246 -1.740 4.459) 4.945 2.369 ( 2.629 0.793 -0.672) 2.827 2.372 ( -0.383 0.562 0.442) 0.811 3.897 ( 2.407 0.138 1.803) 3.011 3.964 ( -0.641 -6.919 1.675) 7.148 4.529 ( -1.413 4.329 0.570) 4.589 4.596 ( -1.801 -2.474 -0.074) 3.061 5.757 ( -3.429 5.092 2.461) 6.614 5.881 ( -3.537 -7.536 3.363) 8.978 10.654 ( -0.612 22.465 0.701) 22.484 10.998 ( -1.309 -12.481 0.318) 12.554 14.328 ( 2.042 15.081 -0.645) 15.232 14.557 ( 0.603 -8.826 -0.637) 8.869 15.407 ( 4.349 23.408 -6.235) 24.612 15.772 ( 5.958 -14.341 -6.955) 17.016 43.596 ( 0.721 -3.414 -1.679) 3.872 43.615 ( 0.623 -5.185 -1.784) 5.519 97.700 ( -0.178 0.623 0.400) 0.762 97.703 ( -0.189 0.383 0.393) 0.580 99.927 ( -0.092 0.188 0.119) 0.241 99.934 ( -0.157 -0.475 0.076) 0.506 ======================= Grid point 501 (269/315) ======================= q-point: (-0.45 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 1.125 3.168 1.895) 3.859 1.497 ( 2.474 -4.343 1.752) 5.296 1.973 ( -3.382 3.111 5.357) 7.058 2.007 ( -4.746 -0.467 5.833) 7.535 2.385 ( 2.039 3.337 -1.394) 4.151 2.435 ( 4.008 -1.756 -1.193) 4.535 3.909 ( -1.721 -0.471 1.259) 2.183 3.958 ( -0.469 -5.454 1.857) 5.780 4.578 ( 6.768 2.654 -1.242) 7.375 4.622 ( 4.713 -1.559 -1.480) 5.180 5.747 ( 1.472 5.320 3.006) 6.285 5.878 ( 2.108 -7.975 3.641) 9.017 10.643 ( -0.875 22.310 1.127) 22.356 10.984 ( -0.392 -12.343 0.837) 12.378 14.299 ( -5.088 14.495 0.541) 15.372 14.520 ( -4.552 -8.618 0.850) 9.783 15.386 ( -4.480 24.213 -5.478) 25.226 15.766 ( -4.331 -14.996 -6.649) 16.966 43.600 ( 0.332 -3.481 -1.853) 3.957 43.617 ( 0.268 -5.065 -1.894) 5.414 97.700 ( 0.018 0.582 0.409) 0.712 97.702 ( -0.046 0.415 0.432) 0.601 99.928 ( 0.171 0.143 0.077) 0.236 99.934 ( 0.157 -0.430 0.066) 0.463 ======================= Grid point 502 (270/315) ======================= q-point: (-0.36 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 4.617 5.034 2.139) 7.158 1.583 ( 5.721 -4.927 1.413) 7.681 1.907 ( -5.592 1.464 6.448) 8.660 1.920 ( -5.072 -0.096 4.494) 6.777 2.433 ( 3.451 4.759 -2.437) 6.364 2.499 ( 3.225 -2.068 -1.758) 4.215 3.855 ( -4.192 2.266 0.585) 4.801 3.939 ( -2.399 -5.989 1.514) 6.627 4.747 ( 9.729 0.958 -4.847) 10.912 4.761 ( 11.490 -0.407 -2.955) 11.870 5.838 ( 7.203 6.260 4.646) 10.614 5.984 ( 7.756 -8.542 4.878) 12.527 10.628 ( -1.190 23.278 1.592) 23.362 10.988 ( 0.298 -13.216 1.592) 13.315 14.145 ( -11.392 15.586 2.130) 19.423 14.392 ( -9.459 -10.108 2.332) 14.039 15.217 ( -11.217 22.876 -4.799) 25.926 15.580 ( -12.669 -14.605 -5.600) 20.129 43.597 ( -0.051 -3.622 -2.084) 4.179 43.613 ( -0.068 -5.107 -2.040) 5.500 97.703 ( 0.119 0.554 0.436) 0.715 97.704 ( 0.155 0.456 0.471) 0.673 99.933 ( 0.374 0.183 0.012) 0.416 99.940 ( 0.426 -0.433 0.063) 0.610 ======================= Grid point 503 (271/315) ======================= q-point: (-0.27 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 5.307 6.301 1.164) 8.320 1.700 ( 5.699 -4.764 0.277) 7.434 1.821 ( -4.709 2.342 6.736) 8.546 1.863 ( -2.558 -1.839 4.247) 5.288 2.493 ( 3.741 4.500 -2.990) 6.572 2.546 ( 2.517 -1.005 -2.036) 3.390 3.758 ( -5.955 4.901 -0.072) 7.713 3.873 ( -5.107 -6.407 1.210) 8.282 4.912 ( 9.319 3.174 -6.611) 11.859 4.963 ( 10.130 -2.040 -6.554) 12.237 6.059 ( 14.260 6.431 6.395) 16.900 6.198 ( 12.769 -7.673 6.197) 16.135 10.606 ( -1.840 25.041 2.080) 25.194 11.001 ( 0.295 -14.924 2.525) 15.139 13.900 ( -14.734 16.965 3.329) 22.716 14.179 ( -13.971 -11.368 2.970) 18.255 14.962 ( -13.325 19.557 -3.760) 23.962 15.286 ( -15.945 -13.501 -3.972) 21.267 43.586 ( -0.314 -3.787 -2.306) 4.445 43.603 ( -0.261 -5.307 -2.167) 5.738 97.707 ( 0.170 0.656 0.492) 0.838 97.710 ( 0.276 0.383 0.475) 0.669 99.942 ( 0.474 0.287 -0.036) 0.555 99.949 ( 0.545 -0.472 0.051) 0.723 ======================= Grid point 504 (272/315) ======================= q-point: (-0.18 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 1.555 6.302 -0.137) 6.492 1.777 ( 2.374 -4.494 -1.270) 5.239 1.795 ( -0.031 3.342 5.939) 6.814 1.861 ( 1.257 -2.712 3.913) 4.924 2.551 ( 3.121 3.910 -2.944) 5.804 2.587 ( 2.470 0.291 -1.711) 3.019 3.640 ( -6.171 5.965 -0.142) 8.583 3.757 ( -7.246 -5.720 0.858) 9.272 5.039 ( 6.284 3.272 -7.615) 10.402 5.083 ( 5.049 -1.224 -7.622) 9.224 6.388 ( 17.162 5.133 6.598) 19.090 6.481 ( 14.096 -4.443 6.691) 16.224 10.570 ( -2.648 27.184 2.528) 27.429 11.011 ( -0.225 -17.271 3.467) 17.617 13.644 ( -12.570 16.413 3.113) 20.906 13.897 ( -15.981 -8.367 2.118) 18.163 14.728 ( -9.709 13.382 -1.881) 16.640 14.985 ( -14.236 -11.916 -2.222) 18.697 43.572 ( -0.375 -3.903 -2.443) 4.619 43.591 ( -0.251 -5.622 -2.243) 6.058 97.712 ( 0.181 0.757 0.517) 0.935 97.717 ( 0.251 0.315 0.487) 0.632 99.950 ( 0.433 0.391 -0.057) 0.586 99.959 ( 0.479 -0.506 0.038) 0.698 ======================= Grid point 505 (273/315) ======================= q-point: (-0.09 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 572 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -1.162 6.262 1.089) 6.462 1.781 ( -0.956 -5.352 0.333) 5.447 1.847 ( 3.137 4.071 1.426) 5.334 1.915 ( 3.077 -2.566 0.977) 4.124 2.584 ( 1.035 4.430 -2.009) 4.973 2.625 ( 1.766 0.378 -1.308) 2.230 3.544 ( -3.528 4.743 0.284) 5.918 3.624 ( -6.433 -3.303 0.757) 7.271 5.098 ( 2.426 1.997 -7.056) 7.724 5.117 ( 1.283 0.141 -6.951) 7.070 6.689 ( 11.036 3.582 6.390) 13.246 6.726 ( 8.482 -0.464 6.703) 10.821 10.531 ( -1.948 29.225 2.576) 29.403 11.018 ( -0.107 -19.712 3.856) 20.086 13.480 ( -4.892 13.007 1.280) 13.956 13.631 ( -11.495 -1.072 0.808) 11.573 14.603 ( -3.040 5.352 -0.425) 6.170 14.755 ( -9.162 -9.174 -0.967) 13.002 43.558 ( -0.210 -3.928 -2.442) 4.630 43.581 ( -0.061 -5.959 -2.253) 6.371 97.717 ( 0.111 0.804 0.514) 0.961 97.722 ( 0.118 0.295 0.492) 0.586 99.957 ( 0.247 0.457 -0.055) 0.522 99.967 ( 0.260 -0.519 0.038) 0.582 ======================= Grid point 572 (274/315) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 161 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.000 0.000 0.000) 0.000 1.020 ( 0.000 0.000 0.000) 0.000 1.202 ( 0.000 0.000 -0.000) 0.000 1.643 ( 0.000 0.000 0.000) 0.000 1.817 ( -0.000 0.000 0.000) 0.000 2.810 ( 0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 0.000) 0.000 3.219 ( 0.000 0.000 0.000) 0.000 3.471 ( -0.000 0.000 0.000) 0.000 3.528 ( 0.000 0.000 0.000) 0.000 6.081 ( 0.000 0.000 0.000) 0.000 7.116 ( 0.000 0.000 0.000) 0.000 7.601 ( 0.000 0.000 0.000) 0.000 10.042 ( 0.000 0.000 0.000) 0.000 11.764 ( 0.000 0.000 0.000) 0.000 11.901 ( -0.000 0.000 0.000) 0.000 14.935 ( -0.000 0.000 0.000) 0.000 15.437 ( 0.000 0.000 0.000) 0.000 44.994 ( 0.000 0.000 0.000) 0.000 45.427 ( 0.000 0.000 0.000) 0.000 97.550 ( 0.000 0.000 0.000) 0.000 97.574 ( 0.000 0.000 0.000) 0.000 99.937 ( 0.000 0.000 0.000) 0.000 99.969 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 574 (275/315) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 4.407 0.000 -3.376) 5.551 1.151 ( 12.905 0.000 -4.150) 13.556 1.251 ( 4.337 0.000 2.446) 4.979 1.556 ( -5.402 0.000 3.597) 6.490 2.012 ( 15.919 0.000 -1.267) 15.969 2.663 ( -11.891 0.000 3.969) 12.536 3.256 ( 3.945 0.000 -0.598) 3.990 3.290 ( 14.016 0.000 -2.658) 14.265 3.560 ( 3.231 0.000 0.449) 3.263 3.828 ( 28.664 0.000 -0.466) 28.668 6.123 ( 3.567 0.000 3.995) 5.356 7.096 ( -1.750 0.000 -1.500) 2.305 7.532 ( -6.791 0.000 -0.226) 6.795 10.043 ( -0.012 0.000 0.969) 0.969 11.720 ( -4.596 0.000 1.225) 4.756 11.900 ( -0.071 0.000 -0.993) 0.996 15.015 ( 6.933 0.000 -1.984) 7.211 15.496 ( 7.099 0.000 0.810) 7.145 44.987 ( -0.582 0.000 -0.801) 0.990 45.394 ( -3.271 0.000 0.055) 3.271 97.548 ( -0.269 0.000 -0.047) 0.273 97.573 ( -0.162 0.000 0.212) 0.267 99.938 ( 0.043 0.000 0.067) 0.080 99.972 ( 0.235 0.000 0.052) 0.241 ======================= Grid point 575 (276/315) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 6.498 0.000 -3.100) 7.200 1.349 ( 5.699 0.000 -8.190) 9.978 1.357 ( 5.529 0.000 2.163) 5.937 1.582 ( 9.606 0.000 8.974) 13.146 2.317 ( 14.362 0.000 -0.268) 14.364 2.478 ( -7.131 0.000 0.482) 7.148 3.359 ( 7.049 0.000 -0.997) 7.119 3.632 ( 21.616 0.000 -5.290) 22.254 3.650 ( 6.054 0.000 0.795) 6.106 4.378 ( 27.399 0.000 1.572) 27.444 6.225 ( 4.837 0.000 7.703) 9.096 7.044 ( -3.006 0.000 -2.595) 3.971 7.372 ( -9.105 0.000 -1.177) 9.181 10.046 ( -0.216 0.000 1.553) 1.568 11.611 ( -7.137 0.000 1.753) 7.349 11.888 ( -0.826 0.000 -1.276) 1.520 15.100 ( 1.774 0.000 -1.071) 2.072 15.737 ( 17.232 0.000 0.829) 17.252 44.967 ( -1.105 0.000 -1.462) 1.832 45.314 ( -5.016 0.000 0.270) 5.023 97.542 ( -0.250 0.000 -0.120) 0.278 97.569 ( -0.287 0.000 0.316) 0.427 99.939 ( 0.075 0.000 0.113) 0.136 99.978 ( 0.392 0.000 0.088) 0.402 ======================= Grid point 576 (277/315) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 5.922 0.000 -1.196) 6.041 1.394 ( 3.455 0.000 -1.649) 3.829 1.457 ( 4.298 0.000 0.728) 4.359 1.856 ( 13.212 0.000 4.092) 13.832 2.307 ( -7.111 0.000 2.936) 7.693 2.612 ( 13.255 0.000 -5.684) 14.422 3.504 ( 8.248 0.000 -1.048) 8.314 3.784 ( 7.477 0.000 0.959) 7.538 4.019 ( 20.010 0.000 -4.759) 20.568 4.830 ( 19.689 0.000 0.962) 19.712 6.336 ( 3.594 0.000 9.884) 10.517 6.973 ( -3.440 0.000 -2.983) 4.553 7.213 ( -6.521 0.000 -2.204) 6.883 10.043 ( -0.607 0.000 1.568) 1.681 11.475 ( -7.511 0.000 1.850) 7.736 11.863 ( -1.252 0.000 -1.184) 1.723 15.092 ( -1.779 0.000 0.123) 1.783 16.081 ( 17.322 0.000 0.646) 17.334 44.937 ( -1.450 0.000 -1.774) 2.291 45.219 ( -4.851 0.000 0.577) 4.885 97.539 ( -0.022 0.000 -0.150) 0.152 97.564 ( -0.360 0.000 0.303) 0.471 99.941 ( 0.087 0.000 0.123) 0.151 99.986 ( 0.422 0.000 0.096) 0.433 ======================= Grid point 577 (278/315) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 3.986 0.000 0.308) 3.998 1.491 ( 6.696 0.000 1.547) 6.872 1.520 ( 2.315 0.000 -0.406) 2.350 1.993 ( -1.743 0.000 -0.549) 1.828 2.249 ( 2.209 0.000 2.409) 3.269 2.808 ( 8.974 0.000 -4.254) 9.931 3.646 ( 6.689 0.000 -0.757) 6.731 3.922 ( 6.368 0.000 0.842) 6.424 4.327 ( 13.415 0.000 -2.834) 13.711 5.122 ( 11.207 0.000 -0.131) 11.208 6.414 ( 1.566 0.000 8.738) 8.877 6.903 ( -2.825 0.000 -2.445) 3.736 7.124 ( -2.266 0.000 -2.228) 3.178 10.033 ( -0.829 0.000 1.100) 1.377 11.353 ( -5.609 0.000 1.464) 5.797 11.837 ( -1.080 0.000 -0.830) 1.362 15.052 ( -2.212 0.000 0.478) 2.263 16.357 ( 11.290 0.000 0.257) 11.293 44.905 ( -1.298 0.000 -1.459) 1.953 45.142 ( -3.341 0.000 0.610) 3.396 97.540 ( 0.193 0.000 -0.115) 0.224 97.558 ( -0.378 0.000 0.211) 0.433 99.943 ( 0.070 0.000 0.094) 0.117 99.994 ( 0.319 0.000 0.073) 0.327 ======================= Grid point 578 (279/315) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 1.434 0.000 0.418) 1.493 1.545 ( 0.647 0.000 -0.409) 0.765 1.639 ( 7.174 0.000 2.368) 7.555 1.873 ( -7.156 0.000 -2.172) 7.478 2.322 ( 2.482 0.000 0.934) 2.652 2.917 ( 3.266 0.000 -1.554) 3.617 3.735 ( 2.578 0.000 -0.270) 2.592 4.012 ( 2.533 0.000 0.349) 2.556 4.494 ( 4.654 0.000 -0.895) 4.739 5.258 ( 3.499 0.000 -0.248) 3.508 6.452 ( 0.378 0.000 3.513) 3.533 6.859 ( -1.114 0.000 -0.961) 1.472 7.100 ( -0.196 0.000 -0.904) 0.925 10.023 ( -0.415 0.000 0.387) 0.567 11.282 ( -2.053 0.000 0.566) 2.130 11.821 ( -0.422 0.000 -0.298) 0.516 15.022 ( -0.942 0.000 0.228) 0.969 16.500 ( 3.809 0.000 0.024) 3.809 44.884 ( -0.521 0.000 -0.555) 0.761 45.101 ( -1.180 0.000 0.252) 1.206 97.544 ( 0.272 0.000 -0.072) 0.281 97.552 ( -0.322 0.000 0.105) 0.339 99.944 ( 0.027 0.000 0.035) 0.044 99.998 ( 0.118 0.000 0.027) 0.121 ======================= Grid point 584 (280/315) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 293 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -0.000 5.816 0.000) 5.816 1.114 ( 0.000 12.826 0.000) 12.826 1.300 ( 0.000 8.421 -0.000) 8.421 1.677 ( 0.000 3.371 0.000) 3.371 1.837 ( -0.000 2.497 0.000) 2.497 2.649 ( 0.000 -11.382 0.000) 11.382 3.182 ( 0.000 0.611 0.000) 0.611 3.389 ( -0.000 10.381 0.000) 10.381 3.531 ( 0.000 11.317 0.000) 11.317 3.846 ( 0.000 25.409 0.000) 25.409 6.079 ( 0.000 0.464 0.000) 0.464 7.016 ( 0.000 -7.504 0.000) 7.504 7.770 ( 0.000 14.757 0.000) 14.757 10.182 ( 0.000 13.834 0.000) 13.834 11.852 ( 0.000 8.806 0.000) 8.806 11.993 ( -0.000 9.180 0.000) 9.180 14.908 ( -0.000 -2.717 0.000) 2.717 15.410 ( 0.000 -2.770 0.000) 2.770 44.922 ( 0.000 -7.271 0.000) 7.271 45.306 ( 0.000 -12.032 0.000) 12.032 97.558 ( 0.000 0.791 0.000) 0.791 97.582 ( 0.000 0.821 0.000) 0.821 99.938 ( 0.000 0.120 0.000) 0.120 99.972 ( 0.000 0.239 0.000) 0.239 ======================= Grid point 586 (281/315) ======================= q-point: ( 0.09 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 2.225 5.441 -2.130) 6.253 1.252 ( 11.401 9.905 -4.652) 15.803 1.338 ( 3.551 7.786 1.772) 8.739 1.572 ( -6.097 2.085 3.555) 7.359 2.024 ( 14.288 1.263 -0.836) 14.368 2.559 ( -7.733 -7.939 1.901) 11.245 3.256 ( 9.395 -0.308 -0.898) 9.443 3.430 ( 4.453 11.879 -2.144) 12.866 3.712 ( 10.238 11.920 1.638) 15.799 3.990 ( 18.087 17.374 -0.023) 25.080 6.109 ( 2.335 -0.809 3.409) 4.211 7.013 ( -0.157 -6.262 -0.238) 6.269 7.704 ( -6.493 15.357 -0.785) 16.692 10.181 ( -0.206 13.580 0.587) 13.594 11.811 ( -4.129 9.095 1.431) 10.090 12.004 ( 1.053 10.417 -1.336) 10.555 14.982 ( 6.470 -3.303 -1.800) 7.484 15.469 ( 7.041 -2.731 0.650) 7.580 44.915 ( -0.570 -7.251 -0.754) 7.313 45.277 ( -2.974 -11.738 0.079) 12.109 97.556 ( -0.221 0.837 -0.046) 0.867 97.581 ( -0.167 0.811 0.181) 0.848 99.939 ( 0.012 0.092 0.069) 0.116 99.974 ( 0.198 0.203 0.051) 0.288 ======================= Grid point 587 (282/315) ======================= q-point: ( 0.18 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 5.026 2.505 -4.320) 7.085 1.388 ( 1.894 4.665 -4.585) 6.810 1.432 ( 5.385 6.244 0.712) 8.276 1.605 ( 10.007 2.865 7.619) 12.899 2.281 ( 9.756 -3.629 1.736) 10.553 2.442 ( -1.954 -2.428 -2.387) 3.925 3.458 ( 8.905 6.382 0.340) 10.961 3.572 ( 12.595 1.442 -3.815) 13.239 3.872 ( 9.173 15.520 -1.112) 18.062 4.431 ( 23.853 5.459 2.092) 24.560 6.174 ( 2.518 -4.208 6.551) 8.183 7.014 ( 0.567 -3.157 -0.434) 3.236 7.542 ( -9.525 16.904 -1.989) 19.505 10.178 ( -0.468 12.990 1.074) 13.043 11.720 ( -5.769 10.820 1.853) 12.401 12.015 ( 0.648 12.909 -1.718) 13.039 15.065 ( 1.980 -3.555 -1.179) 4.237 15.703 ( 16.720 -3.369 0.700) 17.071 44.896 ( -1.071 -7.184 -1.376) 7.393 45.203 ( -4.583 -11.022 0.302) 11.941 97.551 ( -0.199 0.931 -0.118) 0.959 97.577 ( -0.296 0.786 0.284) 0.887 99.939 ( 0.035 0.027 0.118) 0.126 99.979 ( 0.325 0.101 0.081) 0.349 ======================= Grid point 588 (283/315) ======================= q-point: ( 0.27 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 5.381 -0.378 -3.712) 6.548 1.406 ( 1.975 2.941 0.875) 3.649 1.529 ( 4.511 5.755 0.315) 7.318 1.853 ( 11.406 -0.078 3.562) 11.949 2.270 ( -5.404 -3.405 2.901) 7.016 2.582 ( 11.728 -2.739 -5.531) 13.253 3.599 ( 6.892 8.813 -0.373) 11.194 3.804 ( 10.894 0.516 -0.130) 10.907 4.086 ( 13.786 7.622 -3.939) 16.238 4.831 ( 17.373 0.048 1.545) 17.442 6.235 ( 1.405 -8.030 8.403) 11.707 7.034 ( 1.580 -1.177 -0.512) 2.035 7.354 ( -9.056 19.576 -3.054) 21.784 10.170 ( -0.702 12.465 1.236) 12.546 11.616 ( -5.583 14.001 1.829) 15.184 12.018 ( 0.184 15.572 -1.665) 15.661 15.062 ( -1.399 -3.008 -0.174) 3.322 16.040 ( 17.171 -4.067 0.556) 17.655 44.867 ( -1.386 -7.055 -1.665) 7.380 45.117 ( -4.456 -10.220 0.587) 11.165 97.549 ( -0.002 0.997 -0.148) 1.008 97.572 ( -0.363 0.761 0.282) 0.889 99.941 ( 0.057 -0.036 0.132) 0.148 99.986 ( 0.342 -0.044 0.082) 0.354 ======================= Grid point 589 (284/315) ======================= q-point: ( 0.36 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 5.613 -0.754 -1.838) 5.954 1.461 ( 2.615 1.570 2.489) 3.937 1.607 ( 4.045 5.040 -0.021) 6.463 1.968 ( -1.604 -2.395 -0.354) 2.905 2.228 ( 1.745 -1.880 2.366) 3.489 2.757 ( 8.040 -4.856 -3.998) 10.209 3.717 ( 5.492 6.759 -0.495) 8.723 3.974 ( 6.969 4.333 1.176) 8.290 4.319 ( 10.988 -0.182 -3.437) 11.514 5.091 ( 9.961 -3.166 0.526) 10.465 6.285 ( 1.269 -10.368 7.823) 13.050 7.052 ( -0.465 -5.730 -1.089) 5.851 7.205 ( -4.747 26.050 -2.652) 26.612 10.160 ( -0.688 12.308 0.966) 12.365 11.530 ( -3.895 17.559 1.397) 18.040 12.014 ( -0.026 17.748 -1.223) 17.790 15.028 ( -1.905 -2.419 0.209) 3.086 16.316 ( 11.423 -4.059 0.231) 12.125 44.837 ( -1.229 -6.886 -1.363) 7.126 45.047 ( -3.079 -9.595 0.599) 10.095 97.550 ( 0.174 0.997 -0.114) 1.018 97.565 ( -0.361 0.765 0.200) 0.869 99.942 ( 0.055 -0.074 0.103) 0.139 99.992 ( 0.253 -0.190 0.059) 0.321 ======================= Grid point 590 (285/315) ======================= q-point: ( 0.45 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 3.129 2.775 -0.458) 4.208 1.496 ( 0.412 -1.514 0.901) 1.810 1.704 ( 6.359 3.151 1.676) 7.292 1.854 ( -7.697 -1.220 -2.129) 8.079 2.289 ( 2.132 -2.970 0.940) 3.775 2.852 ( 2.876 -5.993 -1.465) 6.807 3.791 ( 2.163 5.366 -0.197) 5.789 4.069 ( 2.562 5.473 0.554) 6.069 4.455 ( 3.904 -3.486 -1.252) 5.382 5.215 ( 3.188 -4.522 0.063) 5.533 6.327 ( 0.928 -11.306 3.496) 11.871 7.004 ( -2.340 -3.680 -1.374) 4.572 7.171 ( 0.132 23.953 -0.489) 23.958 10.153 ( -0.292 12.408 0.363) 12.417 11.483 ( -1.369 19.926 0.533) 19.980 12.010 ( -0.033 18.962 -0.451) 18.967 15.001 ( -0.823 -2.057 0.123) 2.219 16.462 ( 3.900 -3.816 0.026) 5.456 44.817 ( -0.491 -6.763 -0.517) 6.800 45.008 ( -1.089 -9.264 0.244) 9.331 97.554 ( 0.246 0.943 -0.073) 0.977 97.560 ( -0.299 0.810 0.103) 0.870 99.943 ( 0.023 -0.088 0.039) 0.099 99.995 ( 0.092 -0.282 0.021) 0.297 ======================= Grid point 596 (286/315) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 293 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -0.000 8.871 0.000) 8.871 1.414 ( 0.000 16.452 0.000) 16.452 1.457 ( 0.000 6.355 -0.000) 6.355 1.763 ( 0.000 5.056 0.000) 5.056 1.944 ( -0.000 9.043 0.000) 9.043 2.456 ( 0.000 -7.973 0.000) 7.973 3.209 ( 0.000 2.217 0.000) 2.217 3.468 ( -0.000 1.960 0.000) 1.960 3.969 ( 0.000 26.701 0.000) 26.701 4.345 ( 0.000 23.225 0.000) 23.225 6.132 ( 0.000 5.653 0.000) 5.653 6.886 ( 0.000 -5.284 0.000) 5.284 8.126 ( 0.000 21.356 0.000) 21.356 10.545 ( -0.000 21.994 0.000) 21.994 12.094 ( 0.000 15.372 0.000) 15.372 12.245 ( -0.000 16.090 0.000) 16.090 14.834 ( -0.000 -4.596 0.000) 4.596 15.329 ( 0.000 -5.460 0.000) 5.460 44.717 ( 0.000 -13.364 0.000) 13.364 44.977 ( 0.000 -20.849 0.000) 20.849 97.581 ( 0.000 1.560 0.000) 1.560 97.606 ( 0.000 1.550 0.000) 1.550 99.941 ( 0.000 0.119 0.000) 0.119 99.977 ( 0.000 0.326 0.000) 0.326 ======================= Grid point 598 (287/315) ======================= q-point: ( 0.09 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.593 8.345 -1.049) 8.431 1.469 ( 3.498 6.878 -7.368) 10.669 1.507 ( 5.676 12.022 4.165) 13.932 1.670 ( -5.380 8.282 2.768) 10.257 2.067 ( 8.530 3.319 0.802) 9.188 2.422 ( -2.441 -5.403 -0.680) 5.968 3.257 ( 7.075 0.572 -0.665) 7.129 3.602 ( 9.840 5.165 -2.357) 11.361 4.044 ( 6.987 21.288 2.697) 22.567 4.397 ( 5.965 20.745 0.639) 21.595 6.125 ( -1.140 3.190 2.232) 4.057 6.901 ( 1.299 -4.860 0.870) 5.106 8.086 ( -3.834 23.300 -0.683) 23.623 10.538 ( -0.754 21.590 -0.124) 21.603 12.058 ( -3.088 15.537 1.735) 15.935 12.294 ( 4.611 18.807 -2.238) 19.493 14.892 ( 5.172 -5.646 -1.363) 7.777 15.391 ( 7.069 -5.232 0.244) 8.798 44.711 ( -0.518 -13.312 -0.625) 13.337 44.956 ( -2.214 -20.386 0.147) 20.507 97.580 ( -0.126 1.605 -0.055) 1.611 97.604 ( -0.185 1.537 0.133) 1.554 99.940 ( -0.053 0.083 0.071) 0.122 99.979 ( 0.097 0.264 0.045) 0.285 ======================= Grid point 599 (288/315) ======================= q-point: ( 0.18 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 1.040 4.895 -5.012) 7.082 1.482 ( -0.004 4.200 -2.010) 4.656 1.603 ( 3.197 11.128 2.613) 11.869 1.707 ( 7.682 7.098 2.979) 10.875 2.190 ( 2.300 -5.052 3.339) 6.478 2.415 ( 3.857 -0.327 -4.210) 5.719 3.470 ( 14.684 -1.777 -1.233) 14.843 3.739 ( 5.685 10.531 -2.325) 12.192 4.189 ( 6.525 15.574 0.565) 16.895 4.589 ( 12.811 10.202 2.788) 16.613 6.104 ( -2.084 -2.093 4.603) 5.469 6.928 ( 0.853 -5.314 1.154) 5.504 7.995 ( -4.843 28.356 -1.614) 28.812 10.518 ( -1.253 20.570 0.078) 20.608 12.011 ( -2.134 18.337 1.774) 18.546 12.379 ( 4.908 23.684 -2.731) 24.341 14.966 ( 2.410 -6.338 -1.426) 6.929 15.611 ( 15.562 -5.852 0.387) 16.630 44.694 ( -0.950 -13.152 -1.139) 13.235 44.901 ( -3.454 -19.237 0.384) 19.548 97.577 ( -0.093 1.701 -0.119) 1.708 97.600 ( -0.331 1.495 0.221) 1.548 99.940 ( -0.055 -0.002 0.127) 0.139 99.981 ( 0.144 0.093 0.060) 0.182 ======================= Grid point 600 (289/315) ======================= q-point: ( 0.27 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 3.024 1.198 -5.982) 6.809 1.500 ( 1.976 5.637 2.341) 6.415 1.670 ( 2.719 8.812 1.048) 9.282 1.863 ( 6.433 1.246 1.723) 6.776 2.186 ( -1.944 -5.046 2.636) 6.016 2.525 ( 7.681 -2.577 -4.304) 9.174 3.759 ( 14.725 -0.179 0.325) 14.730 3.824 ( 4.752 8.624 -1.747) 10.001 4.294 ( 5.096 11.926 -2.233) 13.160 4.832 ( 10.821 0.157 3.099) 11.257 6.080 ( -2.200 -7.188 6.327) 9.825 6.928 ( -1.365 -7.927 0.642) 8.069 7.909 ( -3.297 34.320 -2.325) 34.556 10.494 ( -1.348 19.346 0.385) 19.397 11.993 ( -0.411 23.625 1.568) 23.680 12.455 ( 3.890 28.382 -2.699) 28.774 14.978 ( -0.313 -5.437 -0.947) 5.528 15.930 ( 16.737 -6.865 0.402) 18.095 44.669 ( -1.186 -12.876 -1.363) 13.002 44.836 ( -3.398 -17.911 0.609) 18.241 97.576 ( 0.041 1.775 -0.145) 1.781 97.593 ( -0.389 1.438 0.232) 1.507 99.939 ( -0.016 -0.092 0.150) 0.177 99.984 ( 0.130 -0.148 0.047) 0.203 ======================= Grid point 601 (290/315) ======================= q-point: ( 0.36 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 6.631 -0.296 -4.272) 7.894 1.553 ( 1.952 6.534 3.859) 7.836 1.700 ( 0.365 4.706 -0.038) 4.720 1.913 ( -1.535 -2.736 -0.375) 3.159 2.189 ( 1.885 -1.971 1.827) 3.283 2.644 ( 5.694 -5.988 -2.888) 8.753 3.882 ( 3.084 9.247 -0.532) 9.762 4.029 ( 11.660 0.150 1.736) 11.790 4.364 ( 3.190 5.523 -3.862) 7.456 5.000 ( 5.994 -6.173 2.284) 8.902 6.066 ( -1.278 -11.237 6.046) 12.824 6.884 ( -2.963 -10.477 -0.290) 10.892 7.859 ( -1.340 38.574 -2.095) 38.654 10.472 ( -1.025 18.294 0.447) 18.328 12.002 ( 0.701 29.415 1.192) 29.448 12.507 ( 2.365 31.695 -2.068) 31.850 14.961 ( -0.997 -4.284 -0.517) 4.428 16.206 ( 11.730 -6.900 0.226) 13.611 44.644 ( -1.024 -12.542 -1.099) 12.632 44.782 ( -2.369 -16.849 0.566) 17.024 97.578 ( 0.125 1.771 -0.113) 1.779 97.587 ( -0.327 1.415 0.172) 1.463 99.940 ( 0.017 -0.153 0.124) 0.198 99.986 ( 0.079 -0.385 0.024) 0.394 ======================= Grid point 602 (291/315) ======================= q-point: ( 0.45 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 8.008 0.969 -2.732) 8.516 1.556 ( -3.819 6.264 2.833) 7.865 1.702 ( 0.254 -2.261 0.851) 2.429 1.856 ( -2.440 0.581 -1.302) 2.826 2.234 ( 1.490 -1.838 0.709) 2.470 2.712 ( 2.060 -7.646 -1.034) 7.986 3.923 ( 1.250 7.489 -0.180) 7.595 4.198 ( 4.901 6.408 1.886) 8.285 4.386 ( 0.485 -2.368 -2.688) 3.615 5.077 ( 1.808 -9.730 0.879) 9.936 6.067 ( -0.272 -13.874 2.634) 14.124 6.834 ( -1.621 -11.247 -0.410) 11.370 7.841 ( -0.267 40.335 -0.831) 40.344 10.459 ( -0.383 17.683 0.194) 17.688 12.018 ( 0.474 33.203 0.467) 33.210 12.532 ( 0.771 33.262 -0.788) 33.280 14.945 ( -0.474 -3.560 -0.165) 3.596 16.358 ( 4.128 -6.523 0.053) 7.720 44.627 ( -0.403 -12.308 -0.412) 12.321 44.753 ( -0.843 -16.279 0.222) 16.302 97.580 ( 0.120 1.630 -0.060) 1.636 97.583 ( -0.184 1.527 0.081) 1.540 99.941 ( 0.013 -0.178 0.049) 0.185 99.987 ( 0.025 -0.535 0.006) 0.536 ======================= Grid point 608 (292/315) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 293 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -0.000 7.363 0.000) 7.363 1.552 ( 0.000 4.505 0.000) 4.505 1.717 ( 0.000 13.669 -0.000) 13.669 1.857 ( -0.000 4.172 0.000) 4.172 2.172 ( 0.000 13.081 0.000) 13.081 2.338 ( -0.000 -3.998 0.000) 3.998 3.270 ( 0.000 3.886 0.000) 3.886 3.505 ( -0.000 1.903 0.000) 1.903 4.460 ( 0.000 22.210 0.000) 22.210 4.709 ( 0.000 13.884 0.000) 13.884 6.306 ( 0.000 11.540 0.000) 11.540 6.814 ( 0.000 -2.137 0.000) 2.137 8.608 ( 0.000 27.985 0.000) 27.985 10.984 ( -0.000 21.172 0.000) 21.172 12.430 ( 0.000 18.493 0.000) 18.493 12.601 ( -0.000 19.772 0.000) 19.772 14.739 ( -0.000 -4.823 0.000) 4.823 15.198 ( 0.000 -7.954 0.000) 7.954 44.414 ( 0.000 -17.123 0.000) 17.123 44.526 ( 0.000 -24.336 0.000) 24.336 97.618 ( 0.000 2.100 0.000) 2.100 97.641 ( 0.000 1.983 0.000) 1.983 99.943 ( 0.000 0.085 0.000) 0.085 99.983 ( 0.000 0.196 0.000) 0.196 ======================= Grid point 610 (293/315) ======================= q-point: ( 0.09 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -2.260 7.303 -0.114) 7.646 1.555 ( 0.698 4.422 -1.968) 4.890 1.759 ( 3.746 11.726 -0.351) 12.315 1.834 ( -1.304 6.672 0.219) 6.801 2.157 ( -2.556 5.611 4.123) 7.417 2.363 ( 3.182 0.081 -2.981) 4.361 3.284 ( 4.130 2.279 -0.279) 4.726 3.670 ( 13.468 2.289 -1.547) 13.749 4.455 ( -0.641 19.204 2.466) 19.372 4.733 ( 2.168 13.200 0.929) 13.409 6.245 ( -6.100 8.742 1.314) 10.740 6.825 ( 0.510 -2.917 1.028) 3.135 8.609 ( 0.222 29.983 -0.325) 29.985 10.968 ( -1.533 20.734 -0.645) 20.801 12.399 ( -1.482 18.955 1.603) 19.081 12.712 ( 9.994 23.136 -3.210) 25.405 14.772 ( 3.098 -6.356 -0.908) 7.129 15.267 ( 7.623 -7.288 -0.232) 10.549 44.410 ( -0.398 -17.028 -0.444) 17.038 44.514 ( -1.272 -23.856 0.234) 23.891 97.617 ( -0.065 2.114 -0.078) 2.117 97.639 ( -0.205 1.972 0.104) 1.985 99.942 ( -0.119 0.055 0.068) 0.147 99.983 ( -0.037 0.127 0.032) 0.137 ======================= Grid point 611 (294/315) ======================= q-point: ( 0.18 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -2.578 5.949 -3.364) 7.304 1.568 ( 1.248 5.043 -0.435) 5.213 1.828 ( 2.984 9.906 0.661) 10.367 1.850 ( 3.051 7.065 0.280) 7.701 2.109 ( -3.482 -2.227 3.853) 5.650 2.427 ( 4.094 1.513 -2.759) 5.163 3.442 ( 12.161 -0.674 -0.800) 12.206 3.896 ( 9.767 5.028 -2.653) 11.301 4.465 ( 0.961 12.722 3.001) 13.107 4.788 ( 2.748 9.053 2.760) 9.855 6.111 ( -8.128 2.804 2.646) 8.996 6.817 ( -2.107 -5.793 1.590) 6.366 8.616 ( 0.803 34.361 -0.975) 34.384 10.926 ( -2.511 19.572 -0.856) 19.751 12.416 ( 2.902 22.565 1.119) 22.779 12.907 ( 11.054 29.202 -3.765) 31.451 14.825 ( 2.575 -7.822 -1.636) 8.396 15.482 ( 14.584 -7.192 0.003) 16.261 44.397 ( -0.703 -16.747 -0.801) 16.781 44.483 ( -2.007 -22.636 0.478) 22.730 97.615 ( -0.029 2.137 -0.130) 2.141 97.634 ( -0.376 1.940 0.164) 1.983 99.939 ( -0.154 -0.025 0.129) 0.202 99.982 ( -0.091 -0.061 0.034) 0.115 ======================= Grid point 612 (295/315) ======================= q-point: ( 0.27 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 0.423 4.150 -5.280) 6.729 1.605 ( 2.335 5.022 2.106) 5.925 1.869 ( 0.606 10.161 0.079) 10.179 1.901 ( 0.248 3.361 1.324) 3.621 2.079 ( 0.945 -5.669 1.186) 5.868 2.493 ( 3.489 -0.698 -1.471) 3.850 3.705 ( 14.931 -3.114 -0.129) 15.253 4.014 ( 4.173 8.094 -2.341) 9.403 4.499 ( 1.451 8.364 0.503) 8.504 4.840 ( 1.173 0.805 4.576) 4.792 5.973 ( -7.115 -3.363 3.509) 8.616 6.755 ( -4.784 -9.368 1.365) 10.608 8.632 ( 1.265 38.446 -1.566) 38.499 10.873 ( -2.660 18.101 -0.659) 18.307 12.508 ( 6.061 28.201 0.804) 28.856 13.086 ( 8.770 34.892 -3.605) 36.157 14.855 ( 1.280 -6.987 -1.865) 7.344 15.783 ( 16.188 -7.952 0.301) 18.038 44.379 ( -0.837 -16.314 -0.938) 16.362 44.446 ( -1.998 -21.183 0.626) 21.287 97.615 ( 0.064 2.136 -0.140) 2.142 97.626 ( -0.441 1.892 0.168) 1.950 99.937 ( -0.108 -0.122 0.162) 0.230 99.979 ( -0.140 -0.317 0.010) 0.347 ======================= Grid point 613 (296/315) ======================= q-point: ( 0.36 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 5.662 2.141 -4.830) 7.744 1.665 ( 2.919 3.840 3.461) 5.937 1.805 ( -7.540 5.750 3.327) 10.049 1.883 ( -1.003 0.538 -3.051) 3.257 2.155 ( 5.321 -1.246 -0.064) 5.465 2.545 ( 2.294 -3.754 -0.382) 4.416 3.965 ( 10.437 -3.260 0.786) 10.962 4.077 ( 5.202 7.550 -1.059) 9.229 4.503 ( -1.226 7.224 -2.316) 7.684 4.852 ( -1.380 -8.574 4.874) 9.958 5.875 ( -4.177 -7.569 3.123) 9.192 6.661 ( -4.938 -11.938 0.622) 12.934 8.651 ( 1.195 41.142 -1.468) 41.185 10.826 ( -2.011 16.790 -0.349) 16.914 12.630 ( 6.023 33.521 0.664) 34.065 13.208 ( 5.129 38.661 -2.736) 39.096 14.866 ( 0.466 -5.371 -1.470) 5.588 16.058 ( 12.083 -7.971 0.317) 14.479 44.362 ( -0.694 -15.838 -0.725) 15.870 44.415 ( -1.408 -19.984 0.512) 20.040 97.617 ( 0.080 2.129 -0.115) 2.133 97.619 ( -0.332 1.825 0.134) 1.859 99.936 ( -0.039 -0.202 0.143) 0.251 99.977 ( -0.139 -0.563 -0.014) 0.580 ======================= Grid point 614 (297/315) ======================= q-point: ( 0.45 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 9.172 -0.118 -3.497) 9.817 1.637 ( -9.424 1.464 2.329) 9.818 1.738 ( 1.943 6.781 3.935) 8.077 1.843 ( -1.689 -1.136 -3.202) 3.795 2.235 ( 2.470 1.696 -0.097) 2.997 2.574 ( 0.770 -6.175 0.006) 6.222 4.047 ( 1.050 3.669 -0.047) 3.817 4.251 ( 9.732 0.432 1.349) 9.834 4.429 ( -5.616 5.833 -2.574) 8.496 4.835 ( -1.123 -14.571 2.214) 14.781 5.834 ( -1.176 -9.187 1.263) 9.348 6.592 ( -2.103 -13.100 0.102) 13.268 8.665 ( 0.500 42.444 -0.594) 42.451 10.799 ( -0.752 16.018 -0.102) 16.036 12.717 ( 2.539 36.690 0.300) 36.779 13.264 ( 1.589 40.337 -1.055) 40.382 14.867 ( 0.094 -4.285 -0.559) 4.322 16.218 ( 4.420 -7.548 0.124) 8.748 44.351 ( -0.267 -15.516 -0.261) 15.520 44.397 ( -0.505 -19.331 0.187) 19.339 97.614 ( -0.129 1.879 0.029) 1.884 97.618 ( 0.043 2.019 -0.023) 2.020 99.936 ( -0.004 -0.242 0.059) 0.249 99.975 ( -0.060 -0.716 -0.011) 0.719 ======================= Grid point 620 (298/315) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 293 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.000 3.584 0.000) 3.584 1.667 ( 0.000 6.947 0.000) 6.947 1.889 ( -0.000 1.925 0.000) 1.925 1.936 ( 0.000 4.730 0.000) 4.730 2.320 ( 0.000 2.874 -0.000) 2.874 2.413 ( -0.000 10.803 0.000) 10.803 3.357 ( 0.000 4.814 0.000) 4.814 3.540 ( -0.000 1.594 0.000) 1.594 4.811 ( -0.000 13.381 0.000) 13.381 4.906 ( 0.000 6.874 0.000) 6.874 6.547 ( -0.000 12.192 0.000) 12.192 6.801 ( 0.000 0.786 -0.000) 0.786 9.213 ( 0.000 33.497 0.000) 33.497 11.307 ( 0.000 10.377 0.000) 10.377 12.800 ( 0.000 19.003 0.000) 19.003 12.994 ( 0.000 19.720 0.000) 19.720 14.657 ( -0.000 -3.354 0.000) 3.354 15.021 ( 0.000 -9.908 0.000) 9.908 44.065 ( 0.000 -21.836 0.000) 21.836 44.069 ( 0.000 -17.519 -0.000) 17.519 97.660 ( 0.000 2.176 0.000) 2.176 97.680 ( 0.000 1.923 0.000) 1.923 99.945 ( 0.000 0.156 0.000) 0.156 99.984 ( 0.000 -0.094 0.000) 0.094 ======================= Grid point 622 (299/315) ======================= q-point: ( 0.09 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -2.060 4.096 1.013) 4.696 1.669 ( 0.490 6.742 -1.540) 6.933 1.895 ( 0.403 0.780 1.297) 1.566 1.935 ( 0.678 4.757 -3.410) 5.893 2.269 ( -4.951 6.406 3.970) 9.018 2.439 ( 2.085 6.502 -1.409) 6.972 3.348 ( 1.911 4.209 -0.018) 4.623 3.697 ( 12.868 0.409 -0.872) 12.904 4.764 ( -4.393 12.169 2.323) 13.144 4.922 ( 0.716 6.640 1.159) 6.778 6.439 ( -10.467 10.335 1.046) 14.747 6.787 ( -2.259 -0.984 0.775) 2.583 9.244 ( 3.027 34.394 -0.414) 34.529 11.285 ( -2.124 10.266 -1.010) 10.532 12.786 ( 1.033 20.258 0.975) 20.307 13.164 ( 15.350 22.084 -3.762) 27.157 14.655 ( 0.265 -5.261 -0.615) 5.304 15.110 ( 9.006 -8.651 -0.601) 12.503 44.061 ( -0.405 -21.453 0.263) 21.459 44.067 ( -0.193 -17.382 -0.205) 17.384 97.660 ( -0.065 2.165 -0.092) 2.168 97.678 ( -0.217 1.917 0.077) 1.931 99.943 ( -0.175 0.129 0.062) 0.226 99.983 ( -0.165 -0.151 0.022) 0.225 ======================= Grid point 623 (300/315) ======================= q-point: ( 0.18 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -3.116 5.330 -0.583) 6.202 1.678 ( 0.883 5.868 -0.762) 5.983 1.917 ( 1.465 -1.643 1.624) 2.735 1.943 ( 1.485 3.351 -4.736) 5.988 2.180 ( -5.612 8.897 4.323) 11.373 2.471 ( 1.427 2.795 -0.068) 3.139 3.454 ( 8.916 1.986 -0.056) 9.135 3.936 ( 11.724 -0.695 -2.014) 11.916 4.684 ( -4.710 9.525 3.821) 11.293 4.923 ( -1.642 4.700 2.897) 5.760 6.203 ( -13.945 6.121 1.157) 15.273 6.708 ( -6.320 -5.212 1.588) 8.344 9.311 ( 3.974 36.052 -0.863) 36.281 11.227 ( -3.410 10.000 -1.568) 10.682 12.874 ( 7.940 23.756 0.029) 25.047 13.476 ( 17.824 27.686 -4.534) 33.238 14.672 ( 1.852 -7.448 -1.603) 7.840 15.335 ( 14.364 -7.799 -0.399) 16.350 44.052 ( -0.642 -20.458 0.465) 20.473 44.061 ( -0.319 -17.007 -0.353) 17.014 97.658 ( -0.062 2.118 -0.136) 2.124 97.672 ( -0.390 1.909 0.109) 1.951 99.939 ( -0.251 0.051 0.120) 0.283 99.978 ( -0.310 -0.302 0.019) 0.433 ======================= Grid point 624 (301/315) ======================= q-point: ( 0.27 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -1.413 5.559 -2.935) 6.443 1.694 ( 0.416 3.823 1.736) 4.219 1.921 ( -1.604 -0.528 0.698) 1.828 1.987 ( 3.357 -2.441 -4.723) 6.288 2.100 ( -2.757 11.065 3.358) 11.888 2.492 ( 0.575 0.441 1.448) 1.619 3.660 ( 12.147 -1.132 0.574) 12.213 4.102 ( 6.663 0.364 -3.388) 7.483 4.623 ( -2.942 5.032 4.212) 7.192 4.865 ( -6.033 1.470 4.245) 7.521 5.955 ( -11.860 1.398 0.824) 11.971 6.572 ( -8.197 -9.139 1.586) 12.379 9.379 ( 3.429 37.258 -1.115) 37.433 11.154 ( -3.573 9.649 -1.503) 10.398 13.063 ( 11.299 27.761 -0.364) 29.974 13.770 ( 14.102 33.792 -4.209) 36.858 14.711 ( 2.789 -7.556 -2.396) 8.403 15.626 ( 15.836 -8.014 0.140) 17.748 44.041 ( -0.647 -19.238 0.568) 19.257 44.053 ( -0.345 -16.473 -0.428) 16.483 97.657 ( -0.020 2.018 -0.115) 2.021 97.665 ( -0.441 1.917 0.083) 1.969 99.935 ( -0.214 -0.058 0.157) 0.272 99.971 ( -0.381 -0.495 -0.008) 0.625 ======================= Grid point 625 (302/315) ======================= q-point: ( 0.36 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 2.298 3.163 -3.664) 5.358 1.697 ( -1.222 -0.360 2.889) 3.157 1.871 ( -3.893 2.288 2.896) 5.364 1.962 ( -2.438 4.722 -4.098) 6.711 2.164 ( 6.768 3.008 -0.685) 7.438 2.497 ( -0.812 -1.420 2.310) 2.831 3.888 ( 10.823 -3.799 1.154) 11.528 4.185 ( 4.346 1.823 -3.754) 6.026 4.596 ( -1.240 0.871 2.565) 2.979 4.715 ( -11.149 -2.808 4.605) 12.385 5.784 ( -6.209 -1.744 0.527) 6.471 6.429 ( -6.882 -11.603 0.972) 13.526 9.431 ( 2.350 37.876 -0.933) 37.960 11.089 ( -2.708 9.269 -1.018) 9.710 13.267 ( 9.659 30.700 -0.197) 32.184 13.968 ( 8.031 37.908 -2.981) 38.864 14.754 ( 2.347 -6.042 -2.284) 6.872 15.902 ( 12.459 -7.931 0.387) 14.774 44.032 ( -0.456 -18.224 0.502) 18.237 44.046 ( -0.269 -15.909 -0.384) 15.916 97.655 ( -0.192 1.838 0.052) 1.849 97.658 ( -0.141 1.994 -0.077) 2.000 99.933 ( -0.118 -0.165 0.145) 0.250 99.964 ( -0.327 -0.670 -0.033) 0.746 ======================= Grid point 626 (303/315) ======================= q-point: ( 0.45 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 3.274 -1.584 -2.175) 4.238 1.656 ( -3.083 -1.254 1.663) 3.720 1.826 ( -1.304 4.213 2.335) 4.990 1.917 ( -1.019 7.267 -2.382) 7.715 2.279 ( 4.459 2.387 -1.149) 5.187 2.477 ( -1.559 -3.675 1.608) 4.303 4.035 ( 3.685 -3.635 0.686) 5.221 4.289 ( 8.525 1.051 -3.318) 9.209 4.499 ( -11.831 -4.321 3.007) 12.949 4.587 ( -0.554 -3.327 1.314) 3.620 5.716 ( -1.560 -2.982 0.235) 3.373 6.336 ( -2.729 -12.722 0.292) 13.015 9.460 ( 0.861 38.118 -0.359) 38.129 11.051 ( -1.018 9.007 -0.355) 9.071 13.399 ( 3.801 32.047 -0.011) 32.272 14.059 ( 2.465 39.738 -1.092) 39.829 14.780 ( 0.885 -4.611 -0.954) 4.791 16.070 ( 4.724 -7.535 0.191) 8.896 44.028 ( -0.161 -17.688 0.210) 17.690 44.042 ( -0.103 -15.519 -0.164) 15.520 97.652 ( -0.133 1.857 0.033) 1.862 97.657 ( 0.013 1.907 -0.043) 1.908 99.932 ( -0.032 -0.229 0.063) 0.240 99.960 ( -0.133 -0.774 -0.021) 0.785 ======================= Grid point 632 (304/315) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 293 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 0.000 4.029 0.000) 4.029 1.798 ( 0.000 6.043 0.000) 6.043 1.862 ( -0.000 -3.692 0.000) 3.692 1.981 ( -0.000 0.138 0.000) 0.138 2.434 ( 0.000 7.297 0.000) 7.297 2.574 ( -0.000 5.382 0.000) 5.382 3.449 ( 0.000 4.413 0.000) 4.413 3.563 ( -0.000 0.622 0.000) 0.622 4.989 ( -0.000 5.307 0.000) 5.307 4.999 ( 0.000 3.026 -0.000) 3.026 6.754 ( -0.000 8.487 0.000) 8.487 6.838 ( 0.000 2.646 -0.000) 2.646 9.891 ( 0.000 35.004 0.000) 35.004 11.349 ( 0.000 -6.412 0.000) 6.412 13.162 ( 0.000 17.487 0.000) 17.487 13.341 ( 0.000 14.784 0.000) 14.784 14.608 ( -0.000 -1.744 0.000) 1.744 14.821 ( 0.000 -10.153 0.000) 10.153 43.705 ( 0.000 -14.248 0.000) 14.248 43.755 ( 0.000 -13.881 0.000) 13.881 97.699 ( 0.000 1.708 0.000) 1.708 97.712 ( 0.000 1.322 0.000) 1.322 99.950 ( 0.000 0.342 0.000) 0.342 99.979 ( 0.000 -0.400 0.000) 0.400 ======================= Grid point 634 (305/315) ======================= q-point: ( 0.09 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -1.301 4.286 1.755) 4.811 1.791 ( -0.684 4.687 -0.270) 4.744 1.864 ( 0.178 -2.608 -0.116) 2.617 1.979 ( 0.461 0.259 -3.659) 3.697 2.413 ( -2.573 7.568 2.534) 8.385 2.555 ( -1.858 4.370 0.760) 4.809 3.443 ( 1.471 5.276 0.100) 5.478 3.684 ( 10.015 -1.697 -0.360) 10.164 4.935 ( -4.602 5.723 2.145) 7.650 5.009 ( -0.633 2.510 1.514) 2.999 6.623 ( -12.695 8.011 1.135) 15.054 6.783 ( -6.290 0.377 0.571) 6.327 9.927 ( 3.584 34.761 -0.844) 34.956 11.333 ( -1.512 -5.689 -1.308) 6.030 13.176 ( 3.843 19.117 -0.008) 19.499 13.533 ( 17.848 14.258 -3.621) 23.129 14.579 ( -1.475 -1.985 -0.530) 2.529 14.934 ( 10.497 -9.216 -0.805) 13.992 43.707 ( 0.180 -14.043 0.303) 14.048 43.756 ( 0.086 -13.726 -0.036) 13.726 97.698 ( -0.105 1.687 -0.083) 1.693 97.710 ( -0.213 1.324 0.038) 1.341 99.948 ( -0.228 0.317 0.052) 0.394 99.977 ( -0.255 -0.432 0.021) 0.502 ======================= Grid point 635 (306/315) ======================= q-point: ( 0.18 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -2.182 5.156 1.603) 5.824 1.771 ( -1.559 2.149 1.013) 2.841 1.868 ( 0.681 -1.254 -1.091) 1.796 1.976 ( 0.870 0.225 -5.704) 5.774 2.357 ( -4.118 8.166 3.726) 9.875 2.523 ( -1.791 2.119 1.933) 3.381 3.521 ( 6.407 4.779 0.428) 8.004 3.880 ( 10.033 -4.694 -0.947) 11.117 4.837 ( -6.610 6.150 3.628) 9.731 4.977 ( -3.647 1.124 3.173) 4.963 6.330 ( -17.362 6.505 0.537) 18.549 6.616 ( -11.051 -4.254 1.346) 11.917 10.002 ( 4.186 33.963 -1.192) 34.241 11.287 ( -2.686 -4.168 -1.961) 5.332 13.324 ( 11.456 21.659 -1.313) 24.537 13.919 ( 23.054 14.623 -5.049) 27.764 14.574 ( 1.142 -0.352 -1.048) 1.589 15.173 ( 14.595 -8.917 -0.807) 17.122 43.713 ( 0.303 -13.505 0.511) 13.519 43.758 ( 0.165 -13.306 -0.057) 13.307 97.695 ( -0.157 1.618 -0.121) 1.630 97.705 ( -0.369 1.336 0.044) 1.387 99.942 ( -0.353 0.240 0.100) 0.438 99.970 ( -0.452 -0.508 0.023) 0.680 ======================= Grid point 636 (307/315) ======================= q-point: ( 0.27 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -2.616 5.558 -0.503) 6.163 1.731 ( -3.428 -0.717 2.506) 4.307 1.892 ( 1.941 -0.080 -0.012) 1.943 1.980 ( 2.007 0.038 -7.146) 7.422 2.293 ( -3.468 8.427 3.413) 9.731 2.501 ( -1.519 0.173 3.103) 3.459 3.670 ( 8.648 2.280 1.013) 9.001 4.035 ( 6.597 -6.382 -2.007) 9.396 4.719 ( -7.070 4.808 4.787) 9.799 4.882 ( -7.778 -0.011 3.670) 8.600 6.017 ( -14.759 4.643 -0.445) 15.478 6.402 ( -11.406 -8.146 1.243) 14.071 10.068 ( 3.161 32.767 -1.109) 32.938 11.225 ( -3.077 -2.757 -1.867) 4.534 13.567 ( 13.919 23.379 -1.736) 27.264 14.321 ( 20.230 15.529 -5.664) 26.125 14.609 ( 2.712 3.301 -1.020) 4.392 15.463 ( 15.778 -9.005 -0.268) 18.169 43.721 ( 0.328 -12.825 0.559) 12.842 43.762 ( 0.206 -12.749 -0.056) 12.751 97.692 ( -0.169 1.503 -0.090) 1.515 97.698 ( -0.389 1.366 0.005) 1.421 99.936 ( -0.340 0.120 0.131) 0.383 99.961 ( -0.524 -0.591 0.003) 0.790 ======================= Grid point 637 (308/315) ======================= q-point: ( 0.36 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -1.804 3.524 -1.834) 4.363 1.661 ( -4.498 -3.049 2.098) 5.825 1.924 ( 0.981 2.991 1.020) 3.309 2.014 ( 3.101 1.076 -5.337) 6.266 2.267 ( 0.441 6.349 1.520) 6.543 2.477 ( -2.380 -0.996 3.460) 4.316 3.835 ( 8.028 -1.175 1.182) 8.199 4.118 ( 3.291 -7.575 -2.749) 8.705 4.602 ( -7.330 2.042 5.811) 9.574 4.720 ( -8.978 0.617 1.496) 9.122 5.800 ( -7.887 3.009 -0.646) 8.466 6.214 ( -8.406 -10.217 0.707) 13.250 10.114 ( 1.962 31.599 -0.765) 31.669 11.166 ( -2.463 -1.783 -1.290) 3.303 13.803 ( 10.785 23.723 -1.244) 26.089 14.608 ( 10.170 2.023 -4.724) 11.394 14.669 ( 5.096 21.938 -0.638) 22.532 15.740 ( 12.771 -9.006 0.174) 15.628 43.728 ( 0.249 -12.224 0.428) 12.234 43.765 ( 0.174 -12.227 -0.039) 12.228 97.688 ( -0.233 1.407 0.013) 1.427 97.692 ( -0.185 1.374 -0.079) 1.389 99.931 ( -0.224 -0.009 0.122) 0.255 99.951 ( -0.428 -0.650 -0.020) 0.778 ======================= Grid point 638 (309/315) ======================= q-point: ( 0.45 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -0.416 0.466 -1.022) 1.197 1.595 ( -2.320 -4.078 0.838) 4.766 1.939 ( 0.474 6.180 0.211) 6.202 2.037 ( 0.472 4.432 -1.153) 4.604 2.322 ( 4.292 2.058 -1.233) 4.917 2.427 ( -3.707 -1.671 2.698) 4.880 3.957 ( 3.752 -3.552 0.601) 5.201 4.155 ( 1.606 -11.036 -1.860) 11.306 4.476 ( -5.881 3.490 3.340) 7.610 4.611 ( -2.620 0.912 -0.044) 2.775 5.707 ( -2.136 1.857 -0.209) 2.838 6.104 ( -3.144 -10.885 0.201) 11.332 10.137 ( 0.688 30.874 -0.271) 30.883 11.130 ( -0.949 -1.285 -0.459) 1.663 13.944 ( 3.994 23.357 -0.417) 23.700 14.675 ( 1.207 -4.011 -0.732) 4.252 14.785 ( 4.033 31.370 -1.338) 31.656 15.915 ( 4.950 -8.875 0.135) 10.163 43.733 ( 0.093 -11.878 0.160) 11.880 43.768 ( 0.069 -11.912 -0.014) 11.912 97.684 ( -0.115 1.415 0.015) 1.420 97.690 ( -0.039 1.310 -0.040) 1.312 99.928 ( -0.073 -0.096 0.054) 0.132 99.945 ( -0.169 -0.675 -0.016) 0.696 ======================= Grid point 644 (310/315) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 293 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 0.000 5.273 0.000) 5.273 1.768 ( 0.000 -5.508 0.000) 5.508 1.898 ( -0.000 4.138 0.000) 4.138 1.959 ( -0.000 -2.147 0.000) 2.147 2.562 ( 0.000 5.211 0.000) 5.211 2.621 ( -0.000 -0.517 0.000) 0.517 3.522 ( 0.000 2.913 0.000) 2.913 3.560 ( -0.000 -1.002 0.000) 1.002 5.037 ( -0.000 1.100 0.000) 1.100 5.042 ( 0.000 0.781 -0.000) 0.781 6.868 ( -0.000 3.136 0.000) 3.136 6.883 ( 0.000 1.310 -0.000) 1.310 10.547 ( 0.000 31.077 0.000) 31.077 11.070 ( 0.000 -21.426 0.000) 21.426 13.449 ( 0.000 10.607 0.000) 10.607 13.528 ( 0.000 3.201 0.000) 3.201 14.591 ( -0.000 0.432 0.000) 0.432 14.652 ( 0.000 -6.247 0.000) 6.247 43.526 ( 0.000 -3.882 0.000) 3.882 43.552 ( 0.000 -6.318 0.000) 6.318 97.724 ( 0.000 0.794 0.000) 0.794 97.729 ( 0.000 0.322 0.000) 0.322 99.958 ( 0.000 0.527 0.000) 0.527 99.969 ( 0.000 -0.568 0.000) 0.568 ======================= Grid point 646 (311/315) ======================= q-point: ( 0.09 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -1.121 5.235 2.159) 5.773 1.756 ( -1.493 -5.139 2.440) 5.881 1.902 ( 0.835 3.779 -3.102) 4.960 1.960 ( 0.567 -2.026 -3.358) 3.963 2.540 ( -2.595 4.929 1.954) 5.903 2.594 ( -2.839 -0.459 1.550) 3.267 3.545 ( 3.079 5.000 0.124) 5.873 3.631 ( 6.285 -3.664 -0.017) 7.275 5.008 ( -3.201 2.157 1.991) 4.343 5.030 ( -1.963 -0.136 1.828) 2.686 6.742 ( -12.526 4.065 1.032) 13.210 6.786 ( -10.198 -0.652 0.688) 10.242 10.571 ( 2.407 30.146 -1.247) 30.267 11.072 ( 0.372 -20.286 -1.414) 20.339 13.506 ( 7.193 13.734 -1.245) 15.553 13.667 ( 13.405 -1.316 -2.638) 13.726 14.606 ( 3.192 5.104 -0.714) 6.062 14.754 ( 9.350 -8.991 -0.884) 13.002 43.530 ( 0.412 -3.860 0.249) 3.890 43.556 ( 0.336 -6.211 0.131) 6.222 97.723 ( -0.153 0.775 -0.053) 0.792 97.727 ( -0.192 0.333 -0.010) 0.384 99.956 ( -0.273 0.511 0.040) 0.580 99.967 ( -0.288 -0.571 0.029) 0.640 ======================= Grid point 647 (312/315) ======================= q-point: ( 0.18 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -1.899 5.172 2.844) 6.201 1.729 ( -2.456 -4.496 3.382) 6.139 1.906 ( 0.969 3.188 -4.487) 5.589 1.958 ( 0.762 -1.918 -5.354) 5.738 2.485 ( -3.849 4.684 3.289) 6.897 2.538 ( -3.476 -0.825 2.833) 4.559 3.634 ( 5.789 6.538 0.449) 8.744 3.766 ( 7.322 -6.636 -0.046) 9.882 4.929 ( -6.075 3.407 3.408) 7.754 4.974 ( -4.927 -1.297 3.325) 6.084 6.447 ( -17.732 5.240 0.583) 18.500 6.537 ( -15.317 -4.120 0.945) 15.889 10.614 ( 2.324 27.948 -1.645) 28.092 11.068 ( -0.389 -17.797 -1.959) 17.909 13.705 ( 13.699 16.933 -2.715) 21.949 13.962 ( 17.641 -8.142 -4.139) 19.866 14.721 ( 9.220 13.028 -1.150) 16.002 14.974 ( 13.878 -11.743 -1.160) 18.217 43.542 ( 0.692 -3.795 0.417) 3.880 43.565 ( 0.578 -5.933 0.225) 5.965 97.718 ( -0.253 0.718 -0.083) 0.766 97.722 ( -0.324 0.366 -0.024) 0.489 99.949 ( -0.445 0.455 0.073) 0.640 99.959 ( -0.492 -0.569 0.044) 0.753 ======================= Grid point 648 (313/315) ======================= q-point: ( 0.27 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -3.588 4.910 1.380) 6.236 1.677 ( -4.247 -4.007 2.596) 6.390 1.924 ( 2.496 2.408 -3.172) 4.700 1.965 ( 2.188 -1.593 -5.403) 6.043 2.424 ( -3.499 4.923 3.515) 6.988 2.488 ( -2.895 -1.734 3.548) 4.896 3.750 ( 5.946 5.816 0.774) 8.353 3.888 ( 5.313 -7.870 -0.257) 9.498 4.804 ( -8.128 3.776 4.013) 9.820 4.862 ( -8.077 -2.035 3.621) 9.082 6.124 ( -15.376 6.140 -0.321) 16.560 6.254 ( -14.032 -7.072 0.468) 15.720 10.643 ( 1.236 25.480 -1.410) 25.549 11.046 ( -1.211 -15.285 -1.758) 15.434 13.968 ( 14.207 17.566 -3.082) 22.801 14.256 ( 13.945 -11.751 -4.310) 18.738 14.937 ( 13.432 19.366 -1.401) 23.610 15.253 ( 15.514 -13.033 -0.912) 20.282 43.557 ( 0.750 -3.696 0.452) 3.798 43.578 ( 0.647 -5.586 0.252) 5.629 97.713 ( -0.279 0.637 -0.072) 0.700 97.715 ( -0.343 0.414 -0.045) 0.539 99.940 ( -0.465 0.355 0.088) 0.592 99.949 ( -0.544 -0.541 0.040) 0.768 ======================= Grid point 649 (314/315) ======================= q-point: ( 0.36 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -4.378 3.913 -0.237) 5.876 1.589 ( -5.167 -3.999 1.019) 6.613 1.980 ( 3.775 2.527 -1.226) 4.705 2.015 ( 4.383 -0.943 -3.724) 5.828 2.379 ( -2.276 4.684 2.587) 5.815 2.446 ( -2.832 -2.334 3.276) 4.919 3.853 ( 4.532 3.157 0.773) 5.577 3.959 ( 2.344 -7.421 -0.374) 7.792 4.660 ( -7.961 3.152 3.541) 9.265 4.710 ( -8.143 -1.678 2.179) 8.595 5.891 ( -8.989 6.093 -0.595) 10.876 6.032 ( -9.172 -8.327 0.047) 12.388 10.654 ( 0.499 23.401 -0.923) 23.424 11.017 ( -1.238 -13.332 -1.186) 13.442 14.192 ( 9.878 16.206 -2.270) 19.114 14.450 ( 7.909 -10.543 -2.995) 13.516 15.180 ( 11.657 22.059 -1.403) 24.990 15.525 ( 12.665 -13.710 -0.486) 18.671 43.571 ( 0.570 -3.590 0.343) 3.651 43.590 ( 0.506 -5.286 0.198) 5.314 97.708 ( -0.243 0.592 -0.029) 0.640 97.710 ( -0.228 0.425 -0.061) 0.486 99.933 ( -0.340 0.237 0.076) 0.421 99.940 ( -0.424 -0.488 0.022) 0.647 ======================= Grid point 650 (315/315) ======================= q-point: ( 0.45 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 Number of triplets: 573 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -1.973 2.744 -0.313) 3.394 1.513 ( -2.428 -4.033 0.210) 4.712 2.040 ( 2.307 3.787 -0.587) 4.473 2.079 ( 2.336 -0.077 -1.154) 2.607 2.363 ( 0.428 2.113 0.398) 2.192 2.399 ( -2.925 -1.504 2.027) 3.864 3.919 ( 2.041 0.209 0.337) 2.079 3.980 ( 0.244 -6.176 -0.160) 6.183 4.550 ( -3.744 3.440 1.406) 5.275 4.602 ( -3.220 -1.714 0.597) 3.696 5.780 ( -2.759 5.418 -0.234) 6.085 5.915 ( -3.148 -8.326 -0.034) 8.901 10.658 ( 0.132 22.184 -0.321) 22.187 10.997 ( -0.512 -12.234 -0.419) 12.252 14.314 ( 3.446 14.836 -0.813) 15.253 14.541 ( 2.550 -8.829 -1.045) 9.249 15.334 ( 4.476 23.275 -0.603) 23.709 15.696 ( 4.912 -14.188 -0.144) 15.015 43.580 ( 0.212 -3.521 0.127) 3.529 43.597 ( 0.191 -5.115 0.075) 5.120 97.704 ( -0.099 0.604 -0.007) 0.612 97.707 ( -0.076 0.391 -0.027) 0.400 99.929 ( -0.122 0.150 0.032) 0.196 99.934 ( -0.161 -0.441 0.005) 0.469 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/27456 10.0 72.772 72.604 76.780 0.000 3.148 0.000 3/27456 20.0 21.482 22.332 17.338 0.000 -0.309 0.000 3/27456 30.0 11.206 11.727 8.525 0.000 -0.414 0.000 3/27456 40.0 7.034 7.315 5.319 0.000 -0.323 0.000 3/27456 50.0 4.997 5.173 3.784 0.000 -0.248 0.000 3/27456 60.0 3.849 3.986 2.922 0.000 -0.197 0.000 3/27456 70.0 3.125 3.256 2.380 0.000 -0.162 0.000 3/27456 80.0 2.631 2.769 2.010 0.000 -0.137 0.000 3/27456 90.0 2.272 2.423 1.741 0.000 -0.118 0.000 3/27456 100.0 2.000 2.164 1.536 0.000 -0.104 0.000 3/27456 110.0 1.786 1.962 1.375 0.000 -0.093 0.000 3/27456 120.0 1.613 1.799 1.244 0.000 -0.084 0.000 3/27456 130.0 1.472 1.664 1.136 0.000 -0.077 0.000 3/27456 140.0 1.353 1.551 1.046 0.000 -0.071 0.000 3/27456 150.0 1.253 1.453 0.968 0.000 -0.066 0.000 3/27456 160.0 1.166 1.369 0.902 0.000 -0.061 0.000 3/27456 170.0 1.091 1.294 0.844 0.000 -0.058 0.000 3/27456 180.0 1.026 1.228 0.793 0.000 -0.054 0.000 3/27456 190.0 0.968 1.169 0.748 0.000 -0.051 0.000 3/27456 200.0 0.916 1.116 0.707 0.000 -0.048 0.000 3/27456 210.0 0.870 1.068 0.671 0.000 -0.046 0.000 3/27456 220.0 0.828 1.025 0.639 0.000 -0.044 0.000 3/27456 230.0 0.790 0.985 0.609 0.000 -0.042 0.000 3/27456 240.0 0.756 0.949 0.582 0.000 -0.040 0.000 3/27456 250.0 0.725 0.917 0.558 0.000 -0.038 0.000 3/27456 260.0 0.696 0.887 0.535 0.000 -0.037 0.000 3/27456 270.0 0.669 0.860 0.514 0.000 -0.035 0.000 3/27456 280.0 0.645 0.835 0.495 0.000 -0.034 0.000 3/27456 290.0 0.622 0.812 0.477 0.000 -0.033 0.000 3/27456 300.0 0.601 0.792 0.461 0.000 -0.032 0.000 3/27456 310.0 0.581 0.773 0.445 0.000 -0.031 0.000 3/27456 320.0 0.562 0.756 0.431 0.000 -0.030 0.000 3/27456 330.0 0.545 0.740 0.417 0.000 -0.029 0.000 3/27456 340.0 0.529 0.726 0.405 0.000 -0.028 0.000 3/27456 350.0 0.513 0.714 0.393 0.000 -0.027 0.000 3/27456 360.0 0.499 0.702 0.382 0.000 -0.026 0.000 3/27456 370.0 0.485 0.691 0.371 0.000 -0.026 0.000 3/27456 380.0 0.473 0.682 0.361 0.000 -0.025 0.000 3/27456 390.0 0.460 0.673 0.352 0.000 -0.024 0.000 3/27456 400.0 0.449 0.665 0.343 0.000 -0.024 0.000 3/27456 410.0 0.438 0.658 0.334 0.000 -0.023 0.000 3/27456 420.0 0.427 0.652 0.326 0.000 -0.023 0.000 3/27456 430.0 0.417 0.646 0.319 0.000 -0.022 0.000 3/27456 440.0 0.408 0.641 0.311 0.000 -0.022 0.000 3/27456 450.0 0.399 0.636 0.304 0.000 -0.021 0.000 3/27456 460.0 0.390 0.632 0.298 0.000 -0.021 0.000 3/27456 470.0 0.382 0.628 0.291 0.000 -0.020 0.000 3/27456 480.0 0.374 0.624 0.285 0.000 -0.020 0.000 3/27456 490.0 0.366 0.621 0.279 0.000 -0.019 0.000 3/27456 500.0 0.359 0.618 0.274 0.000 -0.019 0.000 3/27456 510.0 0.352 0.615 0.269 0.000 -0.019 0.000 3/27456 520.0 0.345 0.613 0.263 0.000 -0.018 0.000 3/27456 530.0 0.339 0.611 0.258 0.000 -0.018 0.000 3/27456 540.0 0.333 0.609 0.254 0.000 -0.018 0.000 3/27456 550.0 0.327 0.607 0.249 0.000 -0.017 0.000 3/27456 560.0 0.321 0.605 0.245 0.000 -0.017 0.000 3/27456 570.0 0.315 0.603 0.240 0.000 -0.017 0.000 3/27456 580.0 0.310 0.602 0.236 0.000 -0.016 0.000 3/27456 590.0 0.305 0.600 0.232 0.000 -0.016 0.000 3/27456 600.0 0.300 0.599 0.228 0.000 -0.016 0.000 3/27456 610.0 0.295 0.598 0.225 0.000 -0.016 0.000 3/27456 620.0 0.290 0.597 0.221 0.000 -0.015 0.000 3/27456 630.0 0.285 0.596 0.218 0.000 -0.015 0.000 3/27456 640.0 0.281 0.594 0.214 0.000 -0.015 0.000 3/27456 650.0 0.277 0.593 0.211 0.000 -0.015 0.000 3/27456 660.0 0.273 0.592 0.208 0.000 -0.014 0.000 3/27456 670.0 0.269 0.591 0.205 0.000 -0.014 0.000 3/27456 680.0 0.265 0.590 0.202 0.000 -0.014 0.000 3/27456 690.0 0.261 0.589 0.199 0.000 -0.014 0.000 3/27456 700.0 0.257 0.588 0.196 0.000 -0.014 0.000 3/27456 710.0 0.254 0.587 0.194 0.000 -0.013 0.000 3/27456 720.0 0.250 0.587 0.191 0.000 -0.013 0.000 3/27456 730.0 0.247 0.586 0.188 0.000 -0.013 0.000 3/27456 740.0 0.243 0.585 0.186 0.000 -0.013 0.000 3/27456 750.0 0.240 0.584 0.183 0.000 -0.013 0.000 3/27456 760.0 0.237 0.583 0.181 0.000 -0.013 0.000 3/27456 770.0 0.234 0.582 0.179 0.000 -0.012 0.000 3/27456 780.0 0.231 0.581 0.177 0.000 -0.012 0.000 3/27456 790.0 0.228 0.580 0.174 0.000 -0.012 0.000 3/27456 800.0 0.225 0.579 0.172 0.000 -0.012 0.000 3/27456 810.0 0.223 0.578 0.170 0.000 -0.012 0.000 3/27456 820.0 0.220 0.577 0.168 0.000 -0.012 0.000 3/27456 830.0 0.217 0.576 0.166 0.000 -0.012 0.000 3/27456 840.0 0.215 0.575 0.164 0.000 -0.011 0.000 3/27456 850.0 0.212 0.574 0.162 0.000 -0.011 0.000 3/27456 860.0 0.210 0.573 0.160 0.000 -0.011 0.000 3/27456 870.0 0.208 0.572 0.159 0.000 -0.011 0.000 3/27456 880.0 0.205 0.571 0.157 0.000 -0.011 0.000 3/27456 890.0 0.203 0.570 0.155 0.000 -0.011 0.000 3/27456 900.0 0.201 0.569 0.154 0.000 -0.011 0.000 3/27456 910.0 0.198 0.568 0.152 0.000 -0.010 0.000 3/27456 920.0 0.196 0.567 0.150 0.000 -0.010 0.000 3/27456 930.0 0.194 0.566 0.149 0.000 -0.010 0.000 3/27456 940.0 0.192 0.565 0.147 0.000 -0.010 0.000 3/27456 950.0 0.190 0.564 0.146 0.000 -0.010 0.000 3/27456 960.0 0.188 0.563 0.144 0.000 -0.010 0.000 3/27456 970.0 0.186 0.562 0.143 0.000 -0.010 0.000 3/27456 980.0 0.184 0.561 0.141 0.000 -0.010 0.000 3/27456 990.0 0.183 0.560 0.140 0.000 -0.010 0.000 3/27456 1000.0 0.181 0.558 0.139 0.000 -0.010 0.000 3/27456 Thermal conductivity related properties were written into "kappa-m11138.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:59:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|