----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:41:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.409218960107228 1.390963215154655 5.281313609999994 b -2.409218960107223 1.390963215154655 5.281313609999994 c 0.000000000000002 -2.781926430309314 5.281313609999994 Atomic positions (fractional): *1 C 0.24299891292263 0.24299891292263 0.24299891292263 12.011 2 C 0.75700108707737 0.75700108707737 0.75700108707737 12.011 *3 O 0.27556211280382 0.96133841695819 0.49523993104503 15.999 4 O 0.96133841695819 0.49523993104503 0.27556211280382 15.999 5 O 0.50476006895497 0.72443788719618 0.03866158304181 15.999 6 O 0.72443788719618 0.03866158304181 0.50476006895497 15.999 7 O 0.03866158304181 0.50476006895497 0.72443788719618 15.999 8 O 0.49523993104503 0.27556211280382 0.96133841695819 15.999 *9 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 *10 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.818437920214451 0.000000000000000 0.000000000000000 b -2.409218960107225 4.172889645463970 0.000000000000000 c 0.000000000000000 0.000000000000000 15.843940829999999 Atomic positions (fractional): *1 C 0.00000000000000 0.00000000000000 0.24299891292263 12.011 > 1 2 C 0.66666666666667 0.33333333333333 0.09033442041070 12.011 > 2 3 C 0.66666666666667 0.33333333333333 0.57633224625597 12.011 > 1 4 C 0.33333333333333 0.66666666666667 0.42366775374403 12.011 > 2 5 C 0.33333333333333 0.66666666666667 0.90966557958930 12.011 > 1 6 C 0.00000000000000 0.00000000000000 0.75700108707737 12.011 > 2 *7 O 0.03151529253480 0.74880688922398 0.24404682026901 15.999 > 3 8 O 0.71729159668917 0.96848470746519 0.24404682026901 15.999 > 4 9 O 0.41547355589065 0.05062493002251 0.08928651306432 15.999 > 5 10 O 0.63515137413186 0.58452644410935 0.08928651306432 15.999 > 6 11 O 0.94937506997749 0.36484862586814 0.08928651306432 15.999 > 7 12 O 0.25119311077602 0.28270840331082 0.24404682026901 15.999 > 8 13 O 0.69818195920147 0.08214022255731 0.57738015360235 15.999 > 3 14 O 0.38395826335584 0.30181804079853 0.57738015360235 15.999 > 4 15 O 0.08214022255731 0.38395826335584 0.42261984639765 15.999 > 5 16 O 0.30181804079853 0.91785977744269 0.42261984639765 15.999 > 6 17 O 0.61604173664416 0.69818195920147 0.42261984639765 15.999 > 7 18 O 0.91785977744269 0.61604173664416 0.57738015360235 15.999 > 8 19 O 0.36484862586814 0.41547355589065 0.91071348693568 15.999 > 3 20 O 0.05062493002251 0.63515137413186 0.91071348693568 15.999 > 4 21 O 0.74880688922398 0.71729159668917 0.75595317973099 15.999 > 5 22 O 0.96848470746519 0.25119311077602 0.75595317973099 15.999 > 6 23 O 0.28270840331082 0.03151529253480 0.75595317973099 15.999 > 7 24 O 0.58452644410935 0.94937506997749 0.91071348693568 15.999 > 8 *25 Mg 0.33333333333333 0.66666666666667 0.16666666666667 24.305 > 9 26 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 9 27 Mg 0.66666666666667 0.33333333333333 0.83333333333333 24.305 > 9 *28 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 10 29 Ca 0.66666666666667 0.33333333333333 0.33333333333333 40.078 > 10 30 Ca 0.33333333333333 0.66666666666667 0.66666666666667 40.078 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.636875840428901 0.000000000000000 0.000000000000000 b -4.818437920214450 8.345779290927940 0.000000000000000 c 0.000000000000000 0.000000000000000 15.843940829999999 Atomic positions (fractional): *1 C 0.00000000000000 0.00000000000000 0.24299891292263 12.011 > 1 2 C 0.50000000000000 0.00000000000000 0.24299891292263 12.011 > 1 3 C 0.00000000000000 0.50000000000000 0.24299891292263 12.011 > 1 4 C 0.50000000000000 0.50000000000000 0.24299891292263 12.011 > 1 5 C 0.33333333333333 0.16666666666667 0.09033442041070 12.011 > 2 6 C 0.83333333333333 0.16666666666667 0.09033442041070 12.011 > 2 7 C 0.33333333333333 0.66666666666667 0.09033442041070 12.011 > 2 8 C 0.83333333333333 0.66666666666667 0.09033442041070 12.011 > 2 9 C 0.33333333333333 0.16666666666667 0.57633224625597 12.011 > 1 10 C 0.83333333333333 0.16666666666667 0.57633224625597 12.011 > 1 11 C 0.33333333333333 0.66666666666667 0.57633224625597 12.011 > 1 12 C 0.83333333333333 0.66666666666667 0.57633224625597 12.011 > 1 13 C 0.16666666666667 0.33333333333333 0.42366775374403 12.011 > 2 14 C 0.66666666666667 0.33333333333333 0.42366775374403 12.011 > 2 15 C 0.16666666666667 0.83333333333333 0.42366775374403 12.011 > 2 16 C 0.66666666666667 0.83333333333333 0.42366775374403 12.011 > 2 17 C 0.16666666666667 0.33333333333333 0.90966557958930 12.011 > 1 18 C 0.66666666666667 0.33333333333333 0.90966557958930 12.011 > 1 19 C 0.16666666666667 0.83333333333333 0.90966557958930 12.011 > 1 20 C 0.66666666666667 0.83333333333333 0.90966557958930 12.011 > 1 21 C 0.00000000000000 0.00000000000000 0.75700108707737 12.011 > 2 22 C 0.50000000000000 0.00000000000000 0.75700108707737 12.011 > 2 23 C 0.00000000000000 0.50000000000000 0.75700108707737 12.011 > 2 24 C 0.50000000000000 0.50000000000000 0.75700108707737 12.011 > 2 *25 O 0.01575764626740 0.37440344461199 0.24404682026901 15.999 > 3 26 O 0.51575764626740 0.37440344461199 0.24404682026901 15.999 > 3 27 O 0.01575764626740 0.87440344461199 0.24404682026901 15.999 > 3 28 O 0.51575764626740 0.87440344461199 0.24404682026901 15.999 > 3 29 O 0.35864579834459 0.48424235373260 0.24404682026901 15.999 > 4 30 O 0.85864579834459 0.48424235373260 0.24404682026901 15.999 > 4 31 O 0.35864579834459 0.98424235373260 0.24404682026901 15.999 > 4 32 O 0.85864579834459 0.98424235373260 0.24404682026901 15.999 > 4 33 O 0.20773677794532 0.02531246501125 0.08928651306432 15.999 > 5 34 O 0.70773677794532 0.02531246501125 0.08928651306432 15.999 > 5 35 O 0.20773677794532 0.52531246501125 0.08928651306432 15.999 > 5 36 O 0.70773677794532 0.52531246501125 0.08928651306432 15.999 > 5 37 O 0.31757568706593 0.29226322205468 0.08928651306432 15.999 > 6 38 O 0.81757568706593 0.29226322205468 0.08928651306432 15.999 > 6 39 O 0.31757568706593 0.79226322205468 0.08928651306432 15.999 > 6 40 O 0.81757568706593 0.79226322205468 0.08928651306432 15.999 > 6 41 O 0.47468753498875 0.18242431293407 0.08928651306432 15.999 > 7 42 O 0.97468753498875 0.18242431293407 0.08928651306432 15.999 > 7 43 O 0.47468753498875 0.68242431293407 0.08928651306432 15.999 > 7 44 O 0.97468753498875 0.68242431293407 0.08928651306432 15.999 > 7 45 O 0.12559655538801 0.14135420165541 0.24404682026901 15.999 > 8 46 O 0.62559655538801 0.14135420165541 0.24404682026901 15.999 > 8 47 O 0.12559655538801 0.64135420165541 0.24404682026901 15.999 > 8 48 O 0.62559655538801 0.64135420165541 0.24404682026901 15.999 > 8 49 O 0.34909097960074 0.04107011127866 0.57738015360235 15.999 > 3 50 O 0.84909097960074 0.04107011127866 0.57738015360235 15.999 > 3 51 O 0.34909097960074 0.54107011127866 0.57738015360235 15.999 > 3 52 O 0.84909097960074 0.54107011127866 0.57738015360235 15.999 > 3 53 O 0.19197913167792 0.15090902039926 0.57738015360235 15.999 > 4 54 O 0.69197913167792 0.15090902039926 0.57738015360235 15.999 > 4 55 O 0.19197913167792 0.65090902039926 0.57738015360235 15.999 > 4 56 O 0.69197913167792 0.65090902039926 0.57738015360235 15.999 > 4 57 O 0.04107011127866 0.19197913167792 0.42261984639765 15.999 > 5 58 O 0.54107011127866 0.19197913167792 0.42261984639765 15.999 > 5 59 O 0.04107011127866 0.69197913167792 0.42261984639765 15.999 > 5 60 O 0.54107011127866 0.69197913167792 0.42261984639765 15.999 > 5 61 O 0.15090902039926 0.45892988872134 0.42261984639765 15.999 > 6 62 O 0.65090902039926 0.45892988872134 0.42261984639765 15.999 > 6 63 O 0.15090902039926 0.95892988872134 0.42261984639765 15.999 > 6 64 O 0.65090902039926 0.95892988872134 0.42261984639765 15.999 > 6 65 O 0.30802086832208 0.34909097960074 0.42261984639765 15.999 > 7 66 O 0.80802086832208 0.34909097960074 0.42261984639765 15.999 > 7 67 O 0.30802086832208 0.84909097960074 0.42261984639765 15.999 > 7 68 O 0.80802086832208 0.84909097960074 0.42261984639765 15.999 > 7 69 O 0.45892988872134 0.30802086832208 0.57738015360235 15.999 > 8 70 O 0.95892988872134 0.30802086832208 0.57738015360235 15.999 > 8 71 O 0.45892988872134 0.80802086832208 0.57738015360235 15.999 > 8 72 O 0.95892988872134 0.80802086832208 0.57738015360235 15.999 > 8 73 O 0.18242431293407 0.20773677794532 0.91071348693568 15.999 > 3 74 O 0.68242431293407 0.20773677794532 0.91071348693568 15.999 > 3 75 O 0.18242431293407 0.70773677794532 0.91071348693568 15.999 > 3 76 O 0.68242431293407 0.70773677794532 0.91071348693568 15.999 > 3 77 O 0.02531246501125 0.31757568706593 0.91071348693568 15.999 > 4 78 O 0.52531246501125 0.31757568706593 0.91071348693568 15.999 > 4 79 O 0.02531246501125 0.81757568706593 0.91071348693568 15.999 > 4 80 O 0.52531246501125 0.81757568706593 0.91071348693568 15.999 > 4 81 O 0.37440344461199 0.35864579834459 0.75595317973099 15.999 > 5 82 O 0.87440344461199 0.35864579834459 0.75595317973099 15.999 > 5 83 O 0.37440344461199 0.85864579834459 0.75595317973099 15.999 > 5 84 O 0.87440344461199 0.85864579834459 0.75595317973099 15.999 > 5 85 O 0.48424235373260 0.12559655538801 0.75595317973099 15.999 > 6 86 O 0.98424235373260 0.12559655538801 0.75595317973099 15.999 > 6 87 O 0.48424235373260 0.62559655538801 0.75595317973099 15.999 > 6 88 O 0.98424235373260 0.62559655538801 0.75595317973099 15.999 > 6 89 O 0.14135420165541 0.01575764626740 0.75595317973099 15.999 > 7 90 O 0.64135420165541 0.01575764626740 0.75595317973099 15.999 > 7 91 O 0.14135420165541 0.51575764626740 0.75595317973099 15.999 > 7 92 O 0.64135420165541 0.51575764626740 0.75595317973099 15.999 > 7 93 O 0.29226322205468 0.47468753498875 0.91071348693568 15.999 > 8 94 O 0.79226322205468 0.47468753498875 0.91071348693568 15.999 > 8 95 O 0.29226322205468 0.97468753498875 0.91071348693568 15.999 > 8 96 O 0.79226322205468 0.97468753498875 0.91071348693568 15.999 > 8 *97 Mg 0.16666666666667 0.33333333333333 0.16666666666667 24.305 > 9 98 Mg 0.66666666666667 0.33333333333333 0.16666666666667 24.305 > 9 99 Mg 0.16666666666667 0.83333333333333 0.16666666666667 24.305 > 9 100 Mg 0.66666666666667 0.83333333333333 0.16666666666667 24.305 > 9 101 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 9 102 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 9 103 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 9 104 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 9 105 Mg 0.33333333333333 0.16666666666667 0.83333333333333 24.305 > 9 106 Mg 0.83333333333333 0.16666666666667 0.83333333333333 24.305 > 9 107 Mg 0.33333333333333 0.66666666666667 0.83333333333333 24.305 > 9 108 Mg 0.83333333333333 0.66666666666667 0.83333333333333 24.305 > 9 *109 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 10 110 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 10 111 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 10 112 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 10 113 Ca 0.33333333333333 0.16666666666667 0.33333333333333 40.078 > 10 114 Ca 0.83333333333333 0.16666666666667 0.33333333333333 40.078 > 10 115 Ca 0.33333333333333 0.66666666666667 0.33333333333333 40.078 > 10 116 Ca 0.83333333333333 0.66666666666667 0.33333333333333 40.078 > 10 117 Ca 0.16666666666667 0.33333333333333 0.66666666666667 40.078 > 10 118 Ca 0.66666666666667 0.33333333333333 0.66666666666667 40.078 > 10 119 Ca 0.16666666666667 0.83333333333333 0.66666666666667 40.078 > 10 120 Ca 0.66666666666667 0.83333333333333 0.66666666666667 40.078 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0371352 -0.0000002 0.0000000 0.0000002 3.0371352 0.0000000 0.0000000 0.0000000 2.4060088 -------------------------- Born effective charges -------------------------- 1 C 3.1028484 0.0726756 -0.0000000 -0.0726756 3.1028484 -0.0000000 0.0000000 -0.0000000 0.3776696 2 C 3.1028484 0.0726756 -0.0000000 -0.0726756 3.1028484 -0.0000000 0.0000000 -0.0000000 0.3776696 3 O -1.5937277 0.5480388 0.1017194 0.6103963 -2.0984499 0.1762772 0.1185682 0.1044498 -0.8781947 4 O -2.4738865 -0.1022364 0.1018008 -0.0398789 -1.2182912 -0.1762302 0.0311721 -0.1549080 -0.8781947 5 O -1.4706523 -0.5393386 -0.2035202 -0.4769811 -2.2215254 -0.0000470 -0.1497403 0.0504582 -0.8781947 6 O -1.5937277 0.5480388 0.1017194 0.6103963 -2.0984499 0.1762772 0.1185682 0.1044498 -0.8781947 7 O -2.4738865 -0.1022364 0.1018008 -0.0398789 -1.2182912 -0.1762302 0.0311721 -0.1549080 -0.8781947 8 O -1.4706523 -0.5393386 -0.2035202 -0.4769811 -2.2215254 -0.0000470 -0.1497403 0.0504582 -0.8781947 9 Mg 2.3573774 0.2577421 -0.0000000 -0.2577421 2.3573774 -0.0000000 0.0000000 -0.0000000 2.0829293 10 Ca 2.5134587 -0.2160207 -0.0000000 0.2160207 2.5134587 -0.0000000 0.0000000 -0.0000000 2.4309000 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 7032/7032 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 952 Number of blocks in projector: 454 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 126 Use standard eigh solver. Tree of FC basis block matrices: - (952, 935), data: False |-- (126, 122), data: True |-- (388, 384), data: True |-- (438, 429), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.013 Solver_block: 100 / 240 - Time: 1.043 Solver_block: 200 / 240 - Time: 1.058 Solver_block: 240 / 240 - Time: 0.497 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.661 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 7032/7032 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 952 Number of blocks in projector: 454 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 126 Use standard eigh solver. Tree of FC basis block matrices: - (952, 935), data: False |-- (126, 122), data: True |-- (388, 384), data: True |-- (438, 429), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:41:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:41:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.409218960107228 1.390963215154655 5.281313609999994 b -2.409218960107223 1.390963215154655 5.281313609999994 c 0.000000000000002 -2.781926430309314 5.281313609999994 Atomic positions (fractional): 1 C 0.24299891292263 0.24299891292263 0.24299891292263 12.011 2 C 0.75700108707737 0.75700108707737 0.75700108707737 12.011 3 O 0.27556211280382 0.96133841695819 0.49523993104503 15.999 4 O 0.96133841695819 0.49523993104503 0.27556211280382 15.999 5 O 0.50476006895497 0.72443788719618 0.03866158304181 15.999 6 O 0.72443788719618 0.03866158304181 0.50476006895497 15.999 7 O 0.03866158304181 0.50476006895497 0.72443788719618 15.999 8 O 0.49523993104503 0.27556211280382 0.96133841695819 15.999 9 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 10 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.636875840428901 0.000000000000000 0.000000000000000 b -4.818437920214450 8.345779290927940 0.000000000000000 c 0.000000000000000 0.000000000000000 15.843940829999999 Atomic positions (fractional): 1 C 0.00000000000000 0.00000000000000 0.24299891292263 12.011 > 1 2 C 0.50000000000000 0.00000000000000 0.24299891292263 12.011 > 1 3 C 0.00000000000000 0.50000000000000 0.24299891292263 12.011 > 1 4 C 0.50000000000000 0.50000000000000 0.24299891292263 12.011 > 1 5 C 0.33333333333333 0.16666666666667 0.09033442041070 12.011 > 5 6 C 0.83333333333333 0.16666666666667 0.09033442041070 12.011 > 5 7 C 0.33333333333333 0.66666666666667 0.09033442041070 12.011 > 5 8 C 0.83333333333333 0.66666666666667 0.09033442041070 12.011 > 5 9 C 0.33333333333333 0.16666666666667 0.57633224625597 12.011 > 1 10 C 0.83333333333333 0.16666666666667 0.57633224625597 12.011 > 1 11 C 0.33333333333333 0.66666666666667 0.57633224625597 12.011 > 1 12 C 0.83333333333333 0.66666666666667 0.57633224625597 12.011 > 1 13 C 0.16666666666667 0.33333333333333 0.42366775374403 12.011 > 5 14 C 0.66666666666667 0.33333333333333 0.42366775374403 12.011 > 5 15 C 0.16666666666667 0.83333333333333 0.42366775374403 12.011 > 5 16 C 0.66666666666667 0.83333333333333 0.42366775374403 12.011 > 5 17 C 0.16666666666667 0.33333333333333 0.90966557958930 12.011 > 1 18 C 0.66666666666667 0.33333333333333 0.90966557958930 12.011 > 1 19 C 0.16666666666667 0.83333333333333 0.90966557958930 12.011 > 1 20 C 0.66666666666667 0.83333333333333 0.90966557958930 12.011 > 1 21 C 0.00000000000000 0.00000000000000 0.75700108707737 12.011 > 5 22 C 0.50000000000000 0.00000000000000 0.75700108707737 12.011 > 5 23 C 0.00000000000000 0.50000000000000 0.75700108707737 12.011 > 5 24 C 0.50000000000000 0.50000000000000 0.75700108707737 12.011 > 5 25 O 0.01575764626740 0.37440344461199 0.24404682026901 15.999 > 25 26 O 0.51575764626740 0.37440344461199 0.24404682026901 15.999 > 25 27 O 0.01575764626740 0.87440344461199 0.24404682026901 15.999 > 25 28 O 0.51575764626740 0.87440344461199 0.24404682026901 15.999 > 25 29 O 0.35864579834459 0.48424235373260 0.24404682026901 15.999 > 29 30 O 0.85864579834459 0.48424235373260 0.24404682026901 15.999 > 29 31 O 0.35864579834459 0.98424235373260 0.24404682026901 15.999 > 29 32 O 0.85864579834459 0.98424235373260 0.24404682026901 15.999 > 29 33 O 0.20773677794532 0.02531246501125 0.08928651306432 15.999 > 33 34 O 0.70773677794532 0.02531246501125 0.08928651306432 15.999 > 33 35 O 0.20773677794532 0.52531246501125 0.08928651306432 15.999 > 33 36 O 0.70773677794532 0.52531246501125 0.08928651306432 15.999 > 33 37 O 0.31757568706593 0.29226322205468 0.08928651306432 15.999 > 37 38 O 0.81757568706593 0.29226322205468 0.08928651306432 15.999 > 37 39 O 0.31757568706593 0.79226322205468 0.08928651306432 15.999 > 37 40 O 0.81757568706593 0.79226322205468 0.08928651306432 15.999 > 37 41 O 0.47468753498875 0.18242431293407 0.08928651306432 15.999 > 41 42 O 0.97468753498875 0.18242431293407 0.08928651306432 15.999 > 41 43 O 0.47468753498875 0.68242431293407 0.08928651306432 15.999 > 41 44 O 0.97468753498875 0.68242431293407 0.08928651306432 15.999 > 41 45 O 0.12559655538801 0.14135420165541 0.24404682026901 15.999 > 45 46 O 0.62559655538801 0.14135420165541 0.24404682026901 15.999 > 45 47 O 0.12559655538801 0.64135420165541 0.24404682026901 15.999 > 45 48 O 0.62559655538801 0.64135420165541 0.24404682026901 15.999 > 45 49 O 0.34909097960074 0.04107011127866 0.57738015360235 15.999 > 25 50 O 0.84909097960074 0.04107011127866 0.57738015360235 15.999 > 25 51 O 0.34909097960074 0.54107011127866 0.57738015360235 15.999 > 25 52 O 0.84909097960074 0.54107011127866 0.57738015360235 15.999 > 25 53 O 0.19197913167792 0.15090902039926 0.57738015360235 15.999 > 29 54 O 0.69197913167792 0.15090902039926 0.57738015360235 15.999 > 29 55 O 0.19197913167792 0.65090902039926 0.57738015360235 15.999 > 29 56 O 0.69197913167792 0.65090902039926 0.57738015360235 15.999 > 29 57 O 0.04107011127866 0.19197913167792 0.42261984639765 15.999 > 33 58 O 0.54107011127866 0.19197913167792 0.42261984639765 15.999 > 33 59 O 0.04107011127866 0.69197913167792 0.42261984639765 15.999 > 33 60 O 0.54107011127866 0.69197913167792 0.42261984639765 15.999 > 33 61 O 0.15090902039926 0.45892988872134 0.42261984639765 15.999 > 37 62 O 0.65090902039926 0.45892988872134 0.42261984639765 15.999 > 37 63 O 0.15090902039926 0.95892988872134 0.42261984639765 15.999 > 37 64 O 0.65090902039926 0.95892988872134 0.42261984639765 15.999 > 37 65 O 0.30802086832208 0.34909097960074 0.42261984639765 15.999 > 41 66 O 0.80802086832208 0.34909097960074 0.42261984639765 15.999 > 41 67 O 0.30802086832208 0.84909097960074 0.42261984639765 15.999 > 41 68 O 0.80802086832208 0.84909097960074 0.42261984639765 15.999 > 41 69 O 0.45892988872134 0.30802086832208 0.57738015360235 15.999 > 45 70 O 0.95892988872134 0.30802086832208 0.57738015360235 15.999 > 45 71 O 0.45892988872134 0.80802086832208 0.57738015360235 15.999 > 45 72 O 0.95892988872134 0.80802086832208 0.57738015360235 15.999 > 45 73 O 0.18242431293407 0.20773677794532 0.91071348693568 15.999 > 25 74 O 0.68242431293407 0.20773677794532 0.91071348693568 15.999 > 25 75 O 0.18242431293407 0.70773677794532 0.91071348693568 15.999 > 25 76 O 0.68242431293407 0.70773677794532 0.91071348693568 15.999 > 25 77 O 0.02531246501125 0.31757568706593 0.91071348693568 15.999 > 29 78 O 0.52531246501125 0.31757568706593 0.91071348693568 15.999 > 29 79 O 0.02531246501125 0.81757568706593 0.91071348693568 15.999 > 29 80 O 0.52531246501125 0.81757568706593 0.91071348693568 15.999 > 29 81 O 0.37440344461199 0.35864579834459 0.75595317973099 15.999 > 33 82 O 0.87440344461199 0.35864579834459 0.75595317973099 15.999 > 33 83 O 0.37440344461199 0.85864579834459 0.75595317973099 15.999 > 33 84 O 0.87440344461199 0.85864579834459 0.75595317973099 15.999 > 33 85 O 0.48424235373260 0.12559655538801 0.75595317973099 15.999 > 37 86 O 0.98424235373260 0.12559655538801 0.75595317973099 15.999 > 37 87 O 0.48424235373260 0.62559655538801 0.75595317973099 15.999 > 37 88 O 0.98424235373260 0.62559655538801 0.75595317973099 15.999 > 37 89 O 0.14135420165541 0.01575764626740 0.75595317973099 15.999 > 41 90 O 0.64135420165541 0.01575764626740 0.75595317973099 15.999 > 41 91 O 0.14135420165541 0.51575764626740 0.75595317973099 15.999 > 41 92 O 0.64135420165541 0.51575764626740 0.75595317973099 15.999 > 41 93 O 0.29226322205468 0.47468753498875 0.91071348693568 15.999 > 45 94 O 0.79226322205468 0.47468753498875 0.91071348693568 15.999 > 45 95 O 0.29226322205468 0.97468753498875 0.91071348693568 15.999 > 45 96 O 0.79226322205468 0.97468753498875 0.91071348693568 15.999 > 45 97 Mg 0.16666666666667 0.33333333333333 0.16666666666667 24.305 > 97 98 Mg 0.66666666666667 0.33333333333333 0.16666666666667 24.305 > 97 99 Mg 0.16666666666667 0.83333333333333 0.16666666666667 24.305 > 97 100 Mg 0.66666666666667 0.83333333333333 0.16666666666667 24.305 > 97 101 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 97 102 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 97 103 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 97 104 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 97 105 Mg 0.33333333333333 0.16666666666667 0.83333333333333 24.305 > 97 106 Mg 0.83333333333333 0.16666666666667 0.83333333333333 24.305 > 97 107 Mg 0.33333333333333 0.66666666666667 0.83333333333333 24.305 > 97 108 Mg 0.83333333333333 0.66666666666667 0.83333333333333 24.305 > 97 109 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 109 110 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 109 111 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 109 112 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 109 113 Ca 0.33333333333333 0.16666666666667 0.33333333333333 40.078 > 109 114 Ca 0.83333333333333 0.16666666666667 0.33333333333333 40.078 > 109 115 Ca 0.33333333333333 0.66666666666667 0.33333333333333 40.078 > 109 116 Ca 0.83333333333333 0.66666666666667 0.33333333333333 40.078 > 109 117 Ca 0.16666666666667 0.33333333333333 0.66666666666667 40.078 > 109 118 Ca 0.66666666666667 0.33333333333333 0.66666666666667 40.078 > 109 119 Ca 0.16666666666667 0.83333333333333 0.66666666666667 40.078 > 109 120 Ca 0.66666666666667 0.83333333333333 0.66666666666667 40.078 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0371352 -0.0000002 0.0000000 0.0000002 3.0371352 0.0000000 0.0000000 0.0000000 2.4060088 -------------------------- Born effective charges -------------------------- 1 C 3.1028484 0.0726756 -0.0000000 -0.0726756 3.1028484 -0.0000000 0.0000000 -0.0000000 0.3776696 2 C 3.1028484 0.0726756 -0.0000000 -0.0726756 3.1028484 -0.0000000 0.0000000 -0.0000000 0.3776696 3 O -1.5937277 0.5480388 0.1017194 0.6103963 -2.0984499 0.1762772 0.1185682 0.1044498 -0.8781947 4 O -2.4738865 -0.1022364 0.1018008 -0.0398789 -1.2182912 -0.1762302 0.0311721 -0.1549080 -0.8781947 5 O -1.4706523 -0.5393386 -0.2035202 -0.4769811 -2.2215254 -0.0000470 -0.1497403 0.0504582 -0.8781947 6 O -1.5937277 0.5480388 0.1017194 0.6103963 -2.0984499 0.1762772 0.1185682 0.1044498 -0.8781947 7 O -2.4738865 -0.1022364 0.1018008 -0.0398789 -1.2182912 -0.1762302 0.0311721 -0.1549080 -0.8781947 8 O -1.4706523 -0.5393386 -0.2035202 -0.4769811 -2.2215254 -0.0000470 -0.1497403 0.0504582 -0.8781947 9 Mg 2.3573774 0.2577421 -0.0000000 -0.2577421 2.3573774 -0.0000000 0.0000000 -0.0000000 2.0829293 10 Ca 2.5134587 -0.2160207 -0.0000000 0.2160207 2.5134587 -0.0000000 0.0000000 -0.0000000 2.4309000 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000017 (xyy) -0.00000017 (xyy) -0.00000017 (xyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000053 (xy) 0.00000053 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:41:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:41:38]------------------------- 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: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.409218960107228 1.390963215154655 5.281313609999994 b -2.409218960107223 1.390963215154655 5.281313609999994 c 0.000000000000002 -2.781926430309314 5.281313609999994 Atomic positions (fractional): 1 C 0.24299891292263 0.24299891292263 0.24299891292263 12.011 2 C 0.75700108707737 0.75700108707737 0.75700108707737 12.011 3 O 0.27556211280382 0.96133841695819 0.49523993104503 15.999 4 O 0.96133841695819 0.49523993104503 0.27556211280382 15.999 5 O 0.50476006895497 0.72443788719618 0.03866158304181 15.999 6 O 0.72443788719618 0.03866158304181 0.50476006895497 15.999 7 O 0.03866158304181 0.50476006895497 0.72443788719618 15.999 8 O 0.49523993104503 0.27556211280382 0.96133841695819 15.999 9 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 10 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.636875840428901 0.000000000000000 0.000000000000000 b -4.818437920214450 8.345779290927940 0.000000000000000 c 0.000000000000000 0.000000000000000 15.843940829999999 Atomic positions (fractional): 1 C 0.00000000000000 0.00000000000000 0.24299891292263 12.011 > 1 2 C 0.50000000000000 0.00000000000000 0.24299891292263 12.011 > 1 3 C 0.00000000000000 0.50000000000000 0.24299891292263 12.011 > 1 4 C 0.50000000000000 0.50000000000000 0.24299891292263 12.011 > 1 5 C 0.33333333333333 0.16666666666667 0.09033442041070 12.011 > 5 6 C 0.83333333333333 0.16666666666667 0.09033442041070 12.011 > 5 7 C 0.33333333333333 0.66666666666667 0.09033442041070 12.011 > 5 8 C 0.83333333333333 0.66666666666667 0.09033442041070 12.011 > 5 9 C 0.33333333333333 0.16666666666667 0.57633224625597 12.011 > 1 10 C 0.83333333333333 0.16666666666667 0.57633224625597 12.011 > 1 11 C 0.33333333333333 0.66666666666667 0.57633224625597 12.011 > 1 12 C 0.83333333333333 0.66666666666667 0.57633224625597 12.011 > 1 13 C 0.16666666666667 0.33333333333333 0.42366775374403 12.011 > 5 14 C 0.66666666666667 0.33333333333333 0.42366775374403 12.011 > 5 15 C 0.16666666666667 0.83333333333333 0.42366775374403 12.011 > 5 16 C 0.66666666666667 0.83333333333333 0.42366775374403 12.011 > 5 17 C 0.16666666666667 0.33333333333333 0.90966557958930 12.011 > 1 18 C 0.66666666666667 0.33333333333333 0.90966557958930 12.011 > 1 19 C 0.16666666666667 0.83333333333333 0.90966557958930 12.011 > 1 20 C 0.66666666666667 0.83333333333333 0.90966557958930 12.011 > 1 21 C 0.00000000000000 0.00000000000000 0.75700108707737 12.011 > 5 22 C 0.50000000000000 0.00000000000000 0.75700108707737 12.011 > 5 23 C 0.00000000000000 0.50000000000000 0.75700108707737 12.011 > 5 24 C 0.50000000000000 0.50000000000000 0.75700108707737 12.011 > 5 25 O 0.01575764626740 0.37440344461199 0.24404682026901 15.999 > 25 26 O 0.51575764626740 0.37440344461199 0.24404682026901 15.999 > 25 27 O 0.01575764626740 0.87440344461199 0.24404682026901 15.999 > 25 28 O 0.51575764626740 0.87440344461199 0.24404682026901 15.999 > 25 29 O 0.35864579834459 0.48424235373260 0.24404682026901 15.999 > 29 30 O 0.85864579834459 0.48424235373260 0.24404682026901 15.999 > 29 31 O 0.35864579834459 0.98424235373260 0.24404682026901 15.999 > 29 32 O 0.85864579834459 0.98424235373260 0.24404682026901 15.999 > 29 33 O 0.20773677794532 0.02531246501125 0.08928651306432 15.999 > 33 34 O 0.70773677794532 0.02531246501125 0.08928651306432 15.999 > 33 35 O 0.20773677794532 0.52531246501125 0.08928651306432 15.999 > 33 36 O 0.70773677794532 0.52531246501125 0.08928651306432 15.999 > 33 37 O 0.31757568706593 0.29226322205468 0.08928651306432 15.999 > 37 38 O 0.81757568706593 0.29226322205468 0.08928651306432 15.999 > 37 39 O 0.31757568706593 0.79226322205468 0.08928651306432 15.999 > 37 40 O 0.81757568706593 0.79226322205468 0.08928651306432 15.999 > 37 41 O 0.47468753498875 0.18242431293407 0.08928651306432 15.999 > 41 42 O 0.97468753498875 0.18242431293407 0.08928651306432 15.999 > 41 43 O 0.47468753498875 0.68242431293407 0.08928651306432 15.999 > 41 44 O 0.97468753498875 0.68242431293407 0.08928651306432 15.999 > 41 45 O 0.12559655538801 0.14135420165541 0.24404682026901 15.999 > 45 46 O 0.62559655538801 0.14135420165541 0.24404682026901 15.999 > 45 47 O 0.12559655538801 0.64135420165541 0.24404682026901 15.999 > 45 48 O 0.62559655538801 0.64135420165541 0.24404682026901 15.999 > 45 49 O 0.34909097960074 0.04107011127866 0.57738015360235 15.999 > 25 50 O 0.84909097960074 0.04107011127866 0.57738015360235 15.999 > 25 51 O 0.34909097960074 0.54107011127866 0.57738015360235 15.999 > 25 52 O 0.84909097960074 0.54107011127866 0.57738015360235 15.999 > 25 53 O 0.19197913167792 0.15090902039926 0.57738015360235 15.999 > 29 54 O 0.69197913167792 0.15090902039926 0.57738015360235 15.999 > 29 55 O 0.19197913167792 0.65090902039926 0.57738015360235 15.999 > 29 56 O 0.69197913167792 0.65090902039926 0.57738015360235 15.999 > 29 57 O 0.04107011127866 0.19197913167792 0.42261984639765 15.999 > 33 58 O 0.54107011127866 0.19197913167792 0.42261984639765 15.999 > 33 59 O 0.04107011127866 0.69197913167792 0.42261984639765 15.999 > 33 60 O 0.54107011127866 0.69197913167792 0.42261984639765 15.999 > 33 61 O 0.15090902039926 0.45892988872134 0.42261984639765 15.999 > 37 62 O 0.65090902039926 0.45892988872134 0.42261984639765 15.999 > 37 63 O 0.15090902039926 0.95892988872134 0.42261984639765 15.999 > 37 64 O 0.65090902039926 0.95892988872134 0.42261984639765 15.999 > 37 65 O 0.30802086832208 0.34909097960074 0.42261984639765 15.999 > 41 66 O 0.80802086832208 0.34909097960074 0.42261984639765 15.999 > 41 67 O 0.30802086832208 0.84909097960074 0.42261984639765 15.999 > 41 68 O 0.80802086832208 0.84909097960074 0.42261984639765 15.999 > 41 69 O 0.45892988872134 0.30802086832208 0.57738015360235 15.999 > 45 70 O 0.95892988872134 0.30802086832208 0.57738015360235 15.999 > 45 71 O 0.45892988872134 0.80802086832208 0.57738015360235 15.999 > 45 72 O 0.95892988872134 0.80802086832208 0.57738015360235 15.999 > 45 73 O 0.18242431293407 0.20773677794532 0.91071348693568 15.999 > 25 74 O 0.68242431293407 0.20773677794532 0.91071348693568 15.999 > 25 75 O 0.18242431293407 0.70773677794532 0.91071348693568 15.999 > 25 76 O 0.68242431293407 0.70773677794532 0.91071348693568 15.999 > 25 77 O 0.02531246501125 0.31757568706593 0.91071348693568 15.999 > 29 78 O 0.52531246501125 0.31757568706593 0.91071348693568 15.999 > 29 79 O 0.02531246501125 0.81757568706593 0.91071348693568 15.999 > 29 80 O 0.52531246501125 0.81757568706593 0.91071348693568 15.999 > 29 81 O 0.37440344461199 0.35864579834459 0.75595317973099 15.999 > 33 82 O 0.87440344461199 0.35864579834459 0.75595317973099 15.999 > 33 83 O 0.37440344461199 0.85864579834459 0.75595317973099 15.999 > 33 84 O 0.87440344461199 0.85864579834459 0.75595317973099 15.999 > 33 85 O 0.48424235373260 0.12559655538801 0.75595317973099 15.999 > 37 86 O 0.98424235373260 0.12559655538801 0.75595317973099 15.999 > 37 87 O 0.48424235373260 0.62559655538801 0.75595317973099 15.999 > 37 88 O 0.98424235373260 0.62559655538801 0.75595317973099 15.999 > 37 89 O 0.14135420165541 0.01575764626740 0.75595317973099 15.999 > 41 90 O 0.64135420165541 0.01575764626740 0.75595317973099 15.999 > 41 91 O 0.14135420165541 0.51575764626740 0.75595317973099 15.999 > 41 92 O 0.64135420165541 0.51575764626740 0.75595317973099 15.999 > 41 93 O 0.29226322205468 0.47468753498875 0.91071348693568 15.999 > 45 94 O 0.79226322205468 0.47468753498875 0.91071348693568 15.999 > 45 95 O 0.29226322205468 0.97468753498875 0.91071348693568 15.999 > 45 96 O 0.79226322205468 0.97468753498875 0.91071348693568 15.999 > 45 97 Mg 0.16666666666667 0.33333333333333 0.16666666666667 24.305 > 97 98 Mg 0.66666666666667 0.33333333333333 0.16666666666667 24.305 > 97 99 Mg 0.16666666666667 0.83333333333333 0.16666666666667 24.305 > 97 100 Mg 0.66666666666667 0.83333333333333 0.16666666666667 24.305 > 97 101 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 97 102 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 97 103 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 97 104 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 97 105 Mg 0.33333333333333 0.16666666666667 0.83333333333333 24.305 > 97 106 Mg 0.83333333333333 0.16666666666667 0.83333333333333 24.305 > 97 107 Mg 0.33333333333333 0.66666666666667 0.83333333333333 24.305 > 97 108 Mg 0.83333333333333 0.66666666666667 0.83333333333333 24.305 > 97 109 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 109 110 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 109 111 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 109 112 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 109 113 Ca 0.33333333333333 0.16666666666667 0.33333333333333 40.078 > 109 114 Ca 0.83333333333333 0.16666666666667 0.33333333333333 40.078 > 109 115 Ca 0.33333333333333 0.66666666666667 0.33333333333333 40.078 > 109 116 Ca 0.83333333333333 0.66666666666667 0.33333333333333 40.078 > 109 117 Ca 0.16666666666667 0.33333333333333 0.66666666666667 40.078 > 109 118 Ca 0.66666666666667 0.33333333333333 0.66666666666667 40.078 > 109 119 Ca 0.16666666666667 0.83333333333333 0.66666666666667 40.078 > 109 120 Ca 0.66666666666667 0.83333333333333 0.66666666666667 40.078 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0371352 -0.0000002 0.0000000 0.0000002 3.0371352 0.0000000 0.0000000 0.0000000 2.4060088 -------------------------- Born effective charges -------------------------- 1 C 3.1028484 0.0726756 -0.0000000 -0.0726756 3.1028484 -0.0000000 0.0000000 -0.0000000 0.3776696 2 C 3.1028484 0.0726756 -0.0000000 -0.0726756 3.1028484 -0.0000000 0.0000000 -0.0000000 0.3776696 3 O -1.5937277 0.5480388 0.1017194 0.6103963 -2.0984499 0.1762772 0.1185682 0.1044498 -0.8781947 4 O -2.4738865 -0.1022364 0.1018008 -0.0398789 -1.2182912 -0.1762302 0.0311721 -0.1549080 -0.8781947 5 O -1.4706523 -0.5393386 -0.2035202 -0.4769811 -2.2215254 -0.0000470 -0.1497403 0.0504582 -0.8781947 6 O -1.5937277 0.5480388 0.1017194 0.6103963 -2.0984499 0.1762772 0.1185682 0.1044498 -0.8781947 7 O -2.4738865 -0.1022364 0.1018008 -0.0398789 -1.2182912 -0.1762302 0.0311721 -0.1549080 -0.8781947 8 O -1.4706523 -0.5393386 -0.2035202 -0.4769811 -2.2215254 -0.0000470 -0.1497403 0.0504582 -0.8781947 9 Mg 2.3573774 0.2577421 -0.0000000 -0.2577421 2.3573774 -0.0000000 0.0000000 -0.0000000 2.0829293 10 Ca 2.5134587 -0.2160207 -0.0000000 0.2160207 2.5134587 -0.0000000 0.0000000 -0.0000000 2.4309000 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000017 (xyy) -0.00000017 (xyy) -0.00000017 (xyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 12 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.88, Number of G-points: 309, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/294) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 4.462 ( 0.000 0.000 0.000) 0.000 4.462 ( 0.000 0.000 0.000) 0.000 4.515 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 7.568 ( 0.000 0.000 0.000) 0.000 7.568 ( 0.000 0.000 0.000) 0.000 8.993 ( 0.000 0.000 0.000) 0.000 8.993 ( 0.000 0.000 0.000) 0.000 9.282 ( 0.000 0.000 0.000) 0.000 10.187 ( 0.000 0.000 0.000) 0.000 10.535 ( 0.000 0.000 0.000) 0.000 10.535 ( 0.000 0.000 0.000) 0.000 10.851 ( 0.000 0.000 0.000) 0.000 20.876 ( 0.000 0.000 0.000) 0.000 20.876 ( 0.000 0.000 0.000) 0.000 20.964 ( 0.000 0.000 0.000) 0.000 20.964 ( 0.000 0.000 0.000) 0.000 24.729 ( 0.000 0.000 0.000) 0.000 24.921 ( 0.000 0.000 0.000) 0.000 32.518 ( 0.000 0.000 0.000) 0.000 32.529 ( 0.000 0.000 0.000) 0.000 42.618 ( 0.000 0.000 0.000) 0.000 42.618 ( 0.000 0.000 0.000) 0.000 43.284 ( 0.000 0.000 0.000) 0.000 43.284 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/294) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 25.816 4.730 4.820) 26.685 0.895 ( 29.694 42.067 -7.138) 51.984 1.734 ( 72.910 31.603 20.968) 82.185 4.404 ( -2.146 -4.447 -4.986) 7.017 4.496 ( -1.227 0.266 1.774) 2.173 5.069 ( -2.437 1.339 8.704) 9.137 5.399 ( 6.333 -1.651 -1.167) 6.648 5.551 ( 11.407 10.687 3.517) 16.022 6.683 ( -4.271 -2.322 -0.829) 4.932 7.566 ( 0.036 -1.583 3.258) 3.622 7.977 ( 2.746 0.426 -8.362) 8.811 8.882 ( -10.254 -1.976 -0.908) 10.482 8.994 ( 1.495 -2.141 -0.436) 2.648 9.279 ( -4.023 1.146 2.764) 5.014 10.210 ( 1.222 0.811 2.282) 2.713 10.552 ( 1.556 0.186 0.574) 1.669 10.830 ( -1.384 -1.122 2.612) 3.162 13.132 ( -12.921 -8.124 -8.126) 17.291 20.825 ( -3.683 -2.121 0.241) 4.257 20.896 ( 1.984 0.015 -0.012) 1.985 20.973 ( -0.048 0.877 -0.218) 0.904 21.038 ( -1.229 -0.269 -1.583) 2.021 24.760 ( -1.784 -1.068 9.405) 9.632 24.918 ( -0.266 -0.153 0.327) 0.448 32.514 ( -1.152 -0.686 -0.079) 1.343 32.524 ( 0.585 0.366 -0.422) 0.808 42.676 ( 4.520 1.236 3.994) 6.157 43.299 ( 3.389 -0.133 -4.890) 5.951 43.371 ( 5.375 6.164 3.169) 8.771 46.699 ( 14.178 8.482 -77.864) 79.598 ======================= Grid point 2 (3/294) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 26.709 5.592 8.101) 28.465 1.789 ( 29.774 40.980 -6.873) 51.118 3.309 ( 63.368 24.297 13.575) 69.211 4.300 ( -0.785 -2.022 -6.710) 7.052 4.515 ( 0.226 3.617 5.142) 6.291 5.070 ( -3.349 -4.489 6.699) 8.731 5.543 ( 12.622 2.278 -2.524) 13.072 5.888 ( 10.652 11.819 0.996) 15.941 6.566 ( -4.634 -2.195 -0.776) 5.186 7.587 ( 0.850 0.486 5.050) 5.144 7.945 ( 0.847 -6.045 -10.788) 12.396 8.660 ( -13.565 0.504 6.771) 15.169 8.994 ( 2.232 -4.360 -0.407) 4.916 9.213 ( -6.184 2.467 -0.777) 6.703 10.251 ( 0.622 1.167 1.170) 1.766 10.589 ( 1.543 0.738 0.523) 1.789 10.798 ( -2.885 -3.493 8.177) 9.348 12.658 ( -21.242 -13.025 -14.058) 28.609 20.731 ( -4.580 -2.271 0.721) 5.163 20.912 ( 0.796 -3.274 -0.721) 3.445 20.973 ( -1.673 0.573 -0.487) 1.835 21.004 ( -0.919 1.624 -0.470) 1.925 24.771 ( -0.278 -0.232 4.185) 4.201 24.912 ( -0.496 -0.283 0.466) 0.737 32.479 ( -1.680 -0.905 -0.107) 1.912 32.538 ( 0.841 0.421 -0.910) 1.309 42.822 ( 6.155 2.424 7.216) 9.789 43.350 ( 7.249 -0.626 -8.967) 11.548 43.616 ( 9.691 10.880 6.937) 16.138 46.581 ( 2.391 1.853 -40.952) 41.064 ======================= Grid point 3 (4/294) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 24.909 6.078 11.494) 28.098 2.658 ( 28.718 38.338 -7.244) 48.446 4.151 ( 7.108 5.032 -10.220) 13.427 4.435 ( 18.382 -0.775 -5.085) 19.088 4.811 ( 14.968 7.482 18.290) 24.790 4.900 ( 1.619 -3.615 5.939) 7.139 5.892 ( 20.036 11.339 -0.748) 23.035 6.082 ( 0.329 4.391 2.378) 5.004 6.529 ( 3.092 0.825 -3.942) 5.078 7.597 ( -8.923 4.472 -12.834) 16.258 7.808 ( 6.032 -14.782 9.327) 18.490 8.562 ( -8.886 7.946 11.924) 16.860 8.956 ( -2.919 -5.555 2.205) 6.651 9.120 ( -3.719 -0.339 -2.333) 4.403 10.239 ( -3.429 0.269 -1.913) 3.936 10.616 ( 0.014 1.179 0.031) 1.180 10.751 ( -2.168 -5.596 8.699) 10.568 12.067 ( -20.875 -12.108 -15.904) 28.902 20.639 ( -4.258 -1.605 1.256) 4.720 20.852 ( -2.113 -4.567 -0.990) 5.128 20.918 ( -2.877 -0.522 -1.350) 3.220 21.036 ( 0.830 2.198 -0.004) 2.350 24.789 ( 0.341 0.105 2.321) 2.348 24.901 ( -0.637 -0.365 0.386) 0.830 32.444 ( -1.282 -0.516 -0.145) 1.390 32.548 ( 0.538 0.055 -1.227) 1.341 42.984 ( 3.885 3.295 7.888) 9.390 43.448 ( 11.047 -1.302 -10.188) 15.084 43.979 ( 12.360 13.150 11.081) 21.177 46.390 ( -3.114 -1.385 -29.645) 29.840 ======================= Grid point 4 (5/294) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 21.082 6.455 13.104) 25.648 3.447 ( 25.319 32.842 -8.691) 42.369 4.119 ( -10.357 -0.399 -6.606) 12.291 4.635 ( 4.925 -3.782 -1.084) 6.303 4.650 ( 11.570 -3.841 -3.152) 12.592 5.566 ( 21.491 11.840 17.531) 30.156 5.999 ( -11.406 1.772 5.378) 12.734 6.408 ( 25.231 1.801 -2.170) 25.388 6.584 ( 3.871 2.498 -9.040) 10.146 7.262 ( -13.846 -6.411 -11.880) 19.338 8.011 ( 12.016 0.066 17.598) 21.309 8.523 ( -15.995 8.422 0.198) 18.077 8.821 ( -4.342 -4.545 11.261) 12.897 9.083 ( 3.660 -4.593 -3.775) 6.981 10.115 ( -7.585 -0.557 -4.406) 8.789 10.601 ( -2.740 0.528 -0.944) 2.945 10.712 ( -0.388 -5.195 5.784) 7.784 11.605 ( -12.281 -6.719 -11.272) 17.973 20.568 ( -3.285 -0.878 1.386) 3.672 20.756 ( -3.032 -3.987 -0.720) 5.060 20.863 ( -1.919 -0.063 -1.785) 2.622 21.060 ( 0.278 0.674 -0.023) 0.729 24.808 ( 0.571 0.241 1.330) 1.467 24.887 ( -0.651 -0.377 0.193) 0.777 32.428 ( -0.326 0.243 -0.039) 0.408 32.542 ( -0.124 -0.568 -1.293) 1.417 43.093 ( 1.152 2.972 5.123) 6.034 43.588 ( 11.256 -1.259 -7.304) 13.477 44.402 ( 13.101 12.821 14.514) 23.381 46.138 ( -6.470 -3.702 -24.317) 25.434 ======================= Grid point 5 (6/294) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 15.918 6.580 11.036) 20.457 3.741 ( -13.899 -11.208 -5.467) 18.673 4.087 ( 15.835 25.944 -10.312) 32.096 4.777 ( 8.988 -1.578 6.658) 11.297 4.921 ( 15.811 8.638 -4.160) 18.491 5.723 ( -13.579 -6.735 4.056) 15.691 6.064 ( 8.348 8.176 13.949) 18.197 6.519 ( 5.488 -9.648 -6.590) 12.909 6.784 ( 12.917 2.462 -7.725) 15.251 6.972 ( -10.367 -0.809 -2.523) 10.701 8.130 ( -21.410 -6.256 -4.616) 22.778 8.288 ( 6.172 3.170 10.217) 12.351 8.911 ( 1.941 5.095 10.230) 11.592 9.112 ( 6.961 -3.158 -2.975) 8.203 9.981 ( -4.802 1.397 -3.465) 6.084 10.525 ( -4.302 -1.196 -1.354) 4.666 10.693 ( 0.120 -2.753 2.585) 3.778 11.378 ( -4.596 -2.770 -4.785) 7.190 20.523 ( -1.833 -0.398 0.870) 2.068 20.674 ( -2.127 -2.333 -0.401) 3.183 20.835 ( -0.714 0.400 -1.214) 1.465 21.062 ( -0.139 -0.223 -0.011) 0.263 24.826 ( 0.499 0.232 0.663) 0.862 24.874 ( -0.506 -0.295 0.015) 0.586 32.437 ( 0.501 0.846 0.198) 1.003 32.520 ( -0.677 -1.006 -1.020) 1.584 43.144 ( 0.175 1.648 2.097) 2.673 43.711 ( 6.756 -0.654 -3.417) 7.599 44.812 ( 11.114 9.888 14.846) 21.017 45.851 ( -7.595 -4.933 -19.021) 21.068 ======================= Grid point 6 (7/294) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 0.000) 0.000 4.874 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.488 ( 0.000 0.000 0.000) 0.000 6.199 ( 0.000 0.000 0.000) 0.000 6.544 ( 0.000 0.000 0.000) 0.000 6.844 ( -0.000 0.000 0.000) 0.000 6.897 ( 0.000 -0.000 -0.000) 0.000 7.845 ( 0.000 0.000 0.000) 0.000 8.383 ( 0.000 0.000 0.000) 0.000 8.975 ( 0.000 0.000 0.000) 0.000 9.184 ( 0.000 0.000 0.000) 0.000 9.943 ( 0.000 0.000 -0.000) 0.000 10.464 ( 0.000 -0.000 0.000) 0.000 10.687 ( 0.000 0.000 0.000) 0.000 11.315 ( 0.000 0.000 0.000) 0.000 20.507 ( 0.000 0.000 0.000) 0.000 20.641 ( 0.000 0.000 0.000) 0.000 20.829 ( 0.000 0.000 0.000) 0.000 21.058 ( 0.000 0.000 0.000) 0.000 24.834 ( 0.000 0.000 0.000) 0.000 24.867 ( -0.000 -0.000 0.000) 0.000 32.452 ( 0.000 -0.000 -0.000) 0.000 32.501 ( 0.000 0.000 0.000) 0.000 43.159 ( 0.000 0.000 -0.000) 0.000 43.759 ( 0.000 0.000 0.000) 0.000 45.040 ( 0.000 0.000 0.000) 0.000 45.669 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/294) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 18.608 24.866 29.953) 43.148 1.083 ( 17.381 46.028 14.336) 51.246 1.653 ( -21.531 71.711 15.231) 76.407 4.433 ( -6.390 -1.117 -6.633) 9.278 4.505 ( 1.453 -0.032 6.641) 6.798 5.069 ( 6.924 -10.615 6.102) 14.066 5.398 ( -8.816 3.445 2.920) 9.905 5.562 ( 5.853 17.037 2.247) 18.154 6.672 ( 0.325 -5.220 -2.094) 5.633 7.507 ( -2.533 -4.224 -4.218) 6.484 7.952 ( -0.863 7.168 -8.439) 11.106 8.874 ( -2.622 -11.431 -1.817) 11.868 8.974 ( 4.367 -0.209 -2.962) 5.281 9.274 ( 3.841 -4.305 -0.239) 5.774 10.231 ( 0.159 0.928 4.740) 4.832 10.552 ( -0.948 1.071 0.762) 1.621 10.813 ( -0.409 -1.158 1.829) 2.203 13.222 ( -1.102 -9.158 1.121) 9.292 20.822 ( -1.218 -4.387 -0.224) 4.558 20.884 ( 0.574 1.420 -1.305) 2.012 20.976 ( 0.321 0.437 0.178) 0.571 21.023 ( 0.678 -0.560 -2.569) 2.715 24.824 ( -0.051 -7.728 14.558) 16.482 24.921 ( 0.002 -0.357 0.697) 0.783 32.513 ( -0.096 -1.108 -0.337) 1.162 32.523 ( 0.114 0.450 -0.430) 0.633 42.618 ( -2.589 1.972 -3.246) 4.597 43.308 ( -1.322 4.780 -4.695) 6.829 43.370 ( 3.263 6.104 3.961) 7.975 46.215 ( 0.475 59.279 -112.186) 126.885 ======================= Grid point 15 (9/294) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -10.473 34.293 31.022) 47.413 1.759 ( 17.775 40.721 12.103) 46.051 2.719 ( 46.138 47.811 3.807) 66.552 4.265 ( -4.084 -1.184 -9.399) 10.316 4.573 ( 2.216 2.407 9.466) 10.016 5.124 ( 1.098 -4.979 7.537) 9.099 5.346 ( 1.971 3.923 -8.177) 9.281 5.909 ( 8.689 17.983 4.840) 20.551 6.592 ( -2.020 -4.749 -1.309) 5.324 7.466 ( 6.686 -6.777 -4.500) 10.530 7.931 ( -4.786 3.961 -8.736) 10.719 8.679 ( -0.632 -15.516 -3.293) 15.874 8.984 ( -2.079 -0.009 2.284) 3.088 9.309 ( 1.336 0.084 0.609) 1.470 10.271 ( 0.468 1.251 3.360) 3.615 10.579 ( 1.451 2.464 0.516) 2.906 10.817 ( 0.969 -5.427 6.590) 8.592 12.860 ( -23.480 -12.407 -3.882) 26.839 20.773 ( -0.471 -4.239 -0.449) 4.289 20.869 ( -1.568 0.231 -1.098) 1.928 20.984 ( 0.138 -0.611 -0.031) 0.627 21.013 ( 0.129 -1.056 -0.983) 1.448 24.806 ( -1.377 -2.721 7.061) 7.691 24.918 ( -0.297 -0.520 0.796) 0.996 32.488 ( -0.854 -1.589 -0.214) 1.817 32.530 ( 0.334 0.939 -0.961) 1.385 42.698 ( 10.032 0.786 -1.568) 10.185 43.291 ( -1.950 5.053 -6.398) 8.383 43.595 ( 9.225 10.272 5.995) 15.052 46.307 ( 7.355 23.020 -60.439) 65.091 ======================= Grid point 16 (10/294) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -3.644 31.565 28.223) 42.499 2.572 ( 24.010 37.669 3.506) 44.808 3.787 ( 32.874 18.426 -9.151) 38.780 4.219 ( 5.066 0.520 -5.830) 7.742 4.811 ( 11.590 7.493 11.468) 17.943 4.985 ( -12.802 1.114 7.594) 14.926 5.528 ( 19.500 0.753 -7.224) 20.809 6.219 ( 4.148 16.113 2.708) 16.857 6.512 ( -3.055 -1.346 -0.419) 3.364 7.553 ( 12.101 -8.705 -0.862) 14.931 7.743 ( -11.477 2.296 -11.876) 16.675 8.566 ( 5.458 -13.656 0.489) 14.714 8.953 ( -2.904 -2.916 8.122) 9.105 9.308 ( -5.513 5.050 2.115) 7.770 10.294 ( -1.157 1.277 0.688) 1.855 10.634 ( 0.415 2.908 1.917) 3.508 10.796 ( -1.259 -5.090 6.387) 8.263 12.226 ( -26.448 -16.239 -9.519) 32.463 20.711 ( -3.148 -1.323 0.424) 3.441 20.820 ( -1.455 -3.574 -1.441) 4.119 20.951 ( -2.327 -1.315 -0.581) 2.735 21.019 ( 1.696 -0.661 -0.302) 1.846 24.802 ( -0.379 -0.830 3.545) 3.660 24.909 ( -0.532 -0.625 0.638) 1.039 32.456 ( -0.979 -1.149 -0.200) 1.523 32.539 ( 0.198 0.841 -1.310) 1.569 42.917 ( 12.545 1.352 2.884) 12.943 43.286 ( 0.887 4.406 -9.377) 10.399 43.941 ( 12.832 12.098 9.050) 19.823 46.259 ( -0.358 8.242 -38.218) 39.099 ======================= Grid point 17 (11/294) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 4.508 25.662 24.230) 35.581 3.335 ( 22.113 31.085 0.027) 38.148 4.172 ( 9.894 10.803 -14.561) 20.654 4.362 ( 11.774 -2.548 -1.749) 12.173 4.582 ( -11.809 -10.769 -2.475) 16.173 5.458 ( 18.597 18.306 19.066) 32.318 5.887 ( 25.009 -4.487 -6.665) 26.267 6.326 ( -10.633 10.609 3.428) 15.406 6.491 ( 4.208 1.457 -7.584) 8.794 7.359 ( -11.341 -7.111 -11.256) 17.490 7.868 ( 14.691 4.460 7.167) 16.943 8.566 ( 6.550 -10.371 0.760) 12.290 8.900 ( -3.990 -6.036 10.334) 12.615 9.236 ( -12.310 8.654 4.160) 15.612 10.234 ( -6.919 0.639 -2.548) 7.401 10.663 ( -1.344 2.055 2.670) 3.627 10.740 ( -4.157 -2.642 4.673) 6.790 11.627 ( -14.671 -16.698 -10.682) 24.661 20.647 ( -4.479 0.867 0.909) 4.652 20.744 ( -1.230 -4.774 -1.168) 5.067 20.887 ( -2.634 -1.161 -1.211) 3.123 21.037 ( 1.601 -1.652 -0.144) 2.305 24.811 ( 0.218 -0.154 1.885) 1.904 24.895 ( -0.632 -0.638 0.341) 0.961 32.436 ( -0.377 -0.137 -0.103) 0.414 32.537 ( -0.320 0.334 -1.413) 1.487 43.135 ( 4.376 4.826 4.478) 7.905 43.338 ( 9.595 0.968 -9.517) 13.549 44.356 ( 14.496 11.483 12.249) 22.181 46.078 ( -5.316 1.434 -28.694) 29.217 ======================= Grid point 18 (12/294) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 6.138 21.274 19.678) 29.622 3.805 ( 0.437 0.606 -1.363) 1.555 4.157 ( -2.691 21.597 -9.295) 23.666 4.520 ( 12.862 -7.662 1.102) 15.011 4.675 ( 19.375 8.387 -4.328) 21.552 5.935 ( -0.521 0.272 9.435) 9.453 6.006 ( 7.376 -0.410 5.060) 8.954 6.294 ( 4.087 -2.889 -7.467) 8.989 6.554 ( 7.264 4.452 -12.306) 14.967 7.111 ( -6.918 -0.400 -4.359) 8.187 8.170 ( 6.035 1.183 5.456) 8.222 8.501 ( -8.875 -2.801 5.182) 10.652 8.870 ( 6.955 -5.684 5.184) 10.370 9.138 ( -10.799 7.886 6.293) 14.779 10.070 ( -7.979 -1.012 -3.413) 8.737 10.628 ( -7.538 2.337 0.517) 7.909 10.687 ( 0.051 -2.422 4.302) 4.937 11.314 ( -0.798 -11.818 -7.062) 13.791 20.584 ( -4.196 1.171 0.336) 4.370 20.679 ( -1.274 -3.035 -0.200) 3.297 20.837 ( -0.984 -0.949 -1.392) 1.951 21.039 ( 1.136 -2.384 0.080) 2.642 24.824 ( 0.410 0.103 0.964) 1.053 24.879 ( -0.565 -0.569 0.062) 0.804 32.441 ( 0.398 0.964 0.134) 1.052 32.520 ( -0.850 -0.294 -1.214) 1.510 43.197 ( -1.904 5.676 -2.618) 6.535 43.528 ( 12.599 -0.332 -0.671) 12.621 44.774 ( 13.112 8.788 13.452) 20.739 45.823 ( -7.095 -2.351 -22.638) 23.840 ======================= Grid point 19 (13/294) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( -1.161 14.607 9.424) 17.422 3.591 ( -9.325 0.926 1.013) 9.425 4.393 ( 0.788 7.656 -0.395) 7.706 4.658 ( 12.958 -9.777 -1.003) 16.264 5.055 ( 13.921 4.124 -1.364) 14.583 5.657 ( -13.767 0.644 -3.880) 14.318 6.198 ( -2.992 -4.614 -7.686) 9.451 6.365 ( 17.128 -2.110 7.445) 18.795 6.679 ( 6.290 8.159 -14.608) 17.875 7.059 ( -1.936 2.608 5.163) 6.099 7.999 ( -15.694 -0.747 -1.276) 15.763 8.473 ( -3.836 3.042 12.013) 12.972 9.026 ( 8.148 -3.491 -0.023) 8.865 9.081 ( -3.057 2.073 2.665) 4.555 9.942 ( -3.152 -3.656 -0.512) 4.854 10.523 ( -5.356 1.463 0.781) 5.607 10.701 ( -0.041 1.327 1.864) 2.289 11.233 ( 4.224 -6.898 -3.048) 8.644 20.536 ( -2.556 1.305 -0.416) 2.900 20.644 ( -0.399 -0.556 0.299) 0.747 20.817 ( 0.300 -1.302 -0.602) 1.466 21.036 ( 1.213 -2.193 0.288) 2.523 24.834 ( 0.144 0.102 0.301) 0.350 24.867 ( -0.208 -0.384 -0.061) 0.441 32.461 ( -0.186 1.148 0.019) 1.163 32.498 ( -0.066 -0.191 -0.346) 0.401 43.188 ( -2.305 4.302 -4.868) 6.893 43.711 ( 7.068 0.299 3.598) 7.937 45.032 ( 1.597 0.290 1.549) 2.243 45.638 ( 1.156 0.137 -6.272) 6.379 ======================= Grid point 20 (14/294) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -18.069 4.217 -5.136) 19.252 3.716 ( 7.289 14.659 8.987) 18.676 4.216 ( -16.491 -17.871 11.301) 26.815 4.691 ( 5.434 -13.660 -7.277) 16.404 5.065 ( -7.102 -6.492 0.700) 9.648 5.671 ( 5.055 17.050 -8.475) 19.700 6.024 ( -5.436 -6.219 -10.207) 13.131 6.612 ( 11.529 -6.211 2.905) 13.414 6.758 ( -1.076 12.137 -10.875) 16.332 7.085 ( -4.633 3.746 11.566) 13.011 7.906 ( 5.357 0.085 4.723) 7.142 8.446 ( -9.666 5.492 2.820) 11.469 8.914 ( -8.392 -2.103 -8.518) 12.141 9.177 ( 5.224 -0.980 4.322) 6.851 9.884 ( 3.159 -5.989 2.188) 7.116 10.515 ( 0.393 2.940 2.091) 3.629 10.726 ( -0.635 4.086 -0.600) 4.178 11.271 ( 7.475 -4.891 0.750) 8.964 20.520 ( -0.635 1.861 -1.189) 2.298 20.664 ( 1.690 1.761 0.721) 2.545 20.813 ( 1.102 -1.696 0.573) 2.102 21.040 ( 1.293 -2.070 0.287) 2.457 24.830 ( -0.535 -0.195 -0.353) 0.670 24.867 ( 0.445 0.010 0.014) 0.445 32.445 ( -1.224 -0.192 -0.354) 1.289 32.522 ( 1.095 1.199 0.800) 1.810 43.154 ( -2.633 2.888 -5.638) 6.860 43.807 ( 0.107 1.072 6.385) 6.476 44.823 ( -11.107 -9.607 -14.489) 20.630 45.829 ( 10.822 4.872 12.956) 17.570 ======================= Grid point 21 (15/294) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -23.083 4.369 -6.960) 24.502 3.657 ( -27.260 -27.283 12.921) 40.674 4.037 ( 6.905 8.922 5.407) 12.511 4.625 ( 6.618 -3.612 -4.228) 8.644 4.865 ( -10.963 -3.517 3.512) 12.037 5.738 ( -14.660 -5.822 -13.750) 20.925 5.842 ( 3.331 6.863 -6.986) 10.345 6.619 ( -3.915 -8.955 2.690) 10.137 6.771 ( -8.398 8.754 -3.930) 12.751 7.184 ( 6.964 5.631 13.169) 15.926 8.018 ( 3.222 -10.808 -0.902) 11.314 8.295 ( -5.912 3.604 -7.382) 10.122 8.751 ( -0.542 0.650 -9.891) 9.927 9.249 ( -2.899 4.900 6.327) 8.511 10.007 ( 10.682 1.106 5.093) 11.886 10.571 ( 1.660 0.623 1.990) 2.665 10.756 ( -0.926 7.137 -3.791) 8.134 11.419 ( 14.519 -4.542 5.763) 16.268 20.540 ( 1.224 2.769 -1.721) 3.482 20.739 ( 3.338 2.984 1.036) 4.595 20.833 ( 2.194 -0.931 1.430) 2.780 21.035 ( 0.837 -3.061 0.168) 3.178 24.812 ( -0.813 -0.320 -0.784) 1.174 24.878 ( 0.641 0.167 -0.065) 0.665 32.426 ( -0.430 -0.048 -0.077) 0.440 32.552 ( 0.473 0.918 1.012) 1.446 43.094 ( -3.432 1.697 -6.389) 7.448 43.805 ( -6.513 1.993 8.828) 11.150 44.413 ( -12.916 -12.911 -15.174) 23.744 46.146 ( 10.474 4.466 16.545) 20.085 ======================= Grid point 22 (16/294) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -26.469 5.111 -3.115) 27.137 2.914 ( -33.768 -26.464 11.993) 44.547 4.162 ( 2.489 0.062 4.673) 5.295 4.666 ( -9.600 -2.687 2.269) 10.224 4.833 ( 11.170 7.095 -1.830) 13.359 5.210 ( -33.909 -4.621 -13.814) 36.905 5.834 ( -0.968 -7.119 -6.018) 9.372 6.334 ( -18.745 -0.700 -0.845) 18.777 6.634 ( -8.793 -3.054 5.038) 10.585 7.472 ( 9.171 -4.212 14.170) 17.396 7.926 ( 2.999 13.643 -18.548) 23.220 8.245 ( 3.279 -10.357 -2.935) 11.253 8.798 ( 8.226 -1.028 -4.605) 9.483 9.250 ( -4.796 3.967 4.824) 7.875 10.216 ( 4.544 3.772 5.665) 8.184 10.589 ( 0.707 -1.815 0.147) 1.954 10.788 ( -1.788 8.524 -6.894) 11.108 11.796 ( 26.396 0.936 10.322) 28.358 20.599 ( 2.750 3.791 -1.678) 4.975 20.837 ( 4.059 1.983 1.083) 4.646 20.883 ( 2.626 0.956 1.343) 3.101 21.006 ( 0.127 -4.448 0.194) 4.454 24.789 ( -0.905 -0.316 -1.143) 1.492 24.891 ( 0.666 0.176 -0.160) 0.708 32.430 ( 0.721 0.327 0.064) 0.794 32.564 ( -0.373 0.301 0.905) 1.024 42.999 ( -4.898 0.831 -7.144) 8.702 43.723 ( -11.339 2.624 10.718) 15.822 43.991 ( -11.590 -13.084 -12.657) 21.581 46.440 ( 8.666 3.474 16.902) 19.309 ======================= Grid point 23 (17/294) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -28.199 -3.712 3.239) 28.626 2.141 ( -39.849 -10.478 13.791) 43.450 4.108 ( -41.298 -5.525 -9.451) 42.725 4.346 ( -12.554 -3.165 -5.940) 14.245 4.532 ( -7.744 -0.387 3.798) 8.633 5.012 ( 3.714 -1.087 -2.489) 4.601 5.642 ( -6.798 -3.920 -7.453) 10.822 6.097 ( -14.852 2.684 4.534) 15.759 6.521 ( -0.032 -3.601 2.835) 4.583 7.515 ( 1.995 -4.769 -0.226) 5.175 8.107 ( -4.772 4.760 1.024) 6.818 8.303 ( 20.966 4.654 -7.948) 22.899 8.901 ( 8.071 -6.128 0.392) 10.141 9.238 ( -2.626 2.916 3.860) 5.504 10.279 ( -1.773 0.715 3.402) 3.902 10.578 ( 0.682 -2.129 0.005) 2.236 10.786 ( -1.524 4.736 -6.770) 8.401 12.385 ( 29.386 5.475 7.631) 30.851 20.689 ( 3.727 4.243 -1.244) 5.783 20.907 ( 2.745 -2.921 -0.246) 4.016 20.945 ( 1.609 2.098 0.715) 2.738 20.971 ( 0.881 -2.009 1.457) 2.634 24.764 ( -0.882 -0.217 -1.299) 1.585 24.902 ( 0.607 0.112 -0.164) 0.638 32.456 ( 1.640 0.443 0.038) 1.699 32.557 ( -0.959 -0.114 0.553) 1.113 42.867 ( -6.499 0.181 -6.543) 9.224 43.576 ( -11.714 -2.121 5.497) 13.112 43.658 ( -9.751 -4.736 -3.910) 11.524 46.687 ( 6.875 2.199 14.620) 16.305 ======================= Grid point 24 (18/294) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -28.852 -22.824 8.826) 37.832 1.544 ( -43.578 18.908 13.571) 49.404 2.808 ( -75.748 -2.101 -12.757) 76.843 4.388 ( 3.167 0.886 -4.481) 5.558 4.477 ( -0.876 1.158 1.765) 2.285 5.012 ( 1.965 -3.746 4.816) 6.410 5.479 ( -6.402 1.625 -8.383) 10.672 5.823 ( -20.055 0.204 5.542) 20.807 6.595 ( 6.773 -0.359 0.961) 6.850 7.518 ( 2.088 -0.123 -1.599) 2.632 8.034 ( -2.316 -1.420 -3.100) 4.122 8.699 ( 15.800 6.928 0.581) 17.262 8.947 ( 3.880 -5.975 2.364) 7.506 9.261 ( 0.296 0.918 3.736) 3.858 10.242 ( -3.014 -0.049 0.561) 3.066 10.567 ( -0.815 -0.623 0.501) 1.142 10.784 ( 1.770 0.284 -1.903) 2.614 12.902 ( 22.778 0.290 -1.270) 22.815 20.784 ( 3.829 1.263 -0.890) 4.129 20.881 ( 0.252 -2.287 -0.274) 2.317 20.982 ( 0.247 0.965 0.321) 1.047 21.012 ( 2.236 0.015 1.263) 2.568 24.743 ( -0.771 -0.001 -0.074) 0.775 24.912 ( 0.470 -0.000 0.003) 0.470 32.490 ( 1.836 0.062 -0.039) 1.838 32.539 ( -1.027 -0.072 0.056) 1.032 42.730 ( -6.172 0.743 -2.499) 6.700 43.382 ( -5.631 -2.960 -4.249) 7.650 43.493 ( -10.785 2.254 6.015) 12.553 46.857 ( 5.399 -0.021 0.522) 5.424 ======================= Grid point 26 (19/294) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -14.892 18.060 23.804) 33.385 1.382 ( 2.016 50.667 -5.398) 50.994 3.078 ( -44.385 55.819 21.110) 74.374 4.406 ( 8.983 1.381 -2.711) 9.484 4.483 ( -0.332 -0.751 2.683) 2.806 4.984 ( -8.190 -8.652 -0.354) 11.919 5.607 ( -0.692 9.310 6.250) 11.234 5.759 ( -9.095 16.745 -0.537) 19.063 6.560 ( 2.607 -7.454 -3.321) 8.567 7.498 ( -4.379 -8.624 -4.783) 10.790 8.012 ( -1.194 7.389 -4.736) 8.857 8.687 ( 8.972 -9.993 -0.571) 13.442 8.916 ( -4.793 -7.919 -1.281) 9.345 9.201 ( 1.686 0.943 -4.744) 5.122 10.259 ( 0.417 0.700 3.143) 3.247 10.581 ( -0.785 -0.400 2.160) 2.333 10.851 ( -2.618 -2.591 6.117) 7.140 12.895 ( 23.224 -11.506 -2.298) 26.020 20.800 ( 3.108 -2.399 1.114) 4.081 20.871 ( -3.617 -1.624 -1.588) 4.271 20.974 ( 1.454 0.572 -0.671) 1.700 20.982 ( 0.923 -2.549 -1.906) 3.314 24.808 ( 1.342 -2.665 7.123) 7.723 24.918 ( 0.298 -0.524 0.784) 0.989 32.490 ( 0.963 -1.531 -0.111) 1.812 32.529 ( -0.453 0.862 -1.097) 1.467 42.775 ( -10.140 2.205 3.058) 10.818 43.340 ( -0.575 7.525 -7.619) 10.724 43.489 ( -6.824 6.868 3.622) 10.337 46.292 ( -7.194 22.712 -61.184) 65.659 ======================= Grid point 27 (20/294) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 17.220 22.559 31.979) 42.756 2.123 ( 16.332 44.682 9.944) 48.602 3.105 ( -24.449 58.421 8.722) 63.928 4.337 ( -8.460 0.879 -11.109) 13.991 4.601 ( 2.640 0.702 9.155) 9.554 4.875 ( 11.055 -9.864 -2.185) 14.977 5.601 ( -13.700 13.358 6.315) 20.149 5.974 ( 6.828 19.862 0.773) 21.017 6.506 ( 3.522 -6.962 -3.592) 8.589 7.300 ( -1.110 -8.098 -10.842) 13.578 8.014 ( -2.534 5.433 -4.868) 7.723 8.553 ( -6.169 -16.715 -0.965) 17.844 8.931 ( 8.296 -0.970 -2.590) 8.745 9.223 ( 3.509 -0.346 -1.129) 3.702 10.299 ( 0.302 2.330 1.852) 2.992 10.579 ( 0.547 0.144 1.344) 1.458 10.792 ( -1.635 -6.398 8.231) 10.553 12.980 ( -1.866 -16.529 2.460) 16.815 20.717 ( -1.749 -5.564 -0.201) 5.836 20.899 ( 1.378 1.703 -2.108) 3.040 20.963 ( 1.077 -2.625 -1.157) 3.064 20.983 ( -0.067 -0.601 -0.032) 0.606 24.823 ( -0.092 -3.275 6.092) 6.917 24.919 ( 0.008 -0.774 0.936) 1.215 32.479 ( -0.155 -1.760 -0.211) 1.780 32.530 ( 0.199 1.006 -1.098) 1.503 42.637 ( -4.177 4.037 -4.374) 7.272 43.370 ( -2.337 7.932 -7.973) 11.486 43.585 ( 5.387 9.744 5.560) 12.445 46.214 ( 0.786 26.325 -50.760) 57.185 ======================= Grid point 28 (21/294) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 6.951 24.383 28.460) 38.115 2.737 ( 2.933 36.125 22.231) 42.519 3.539 ( 13.788 36.008 -13.628) 40.895 4.180 ( -3.151 4.747 -9.712) 11.260 4.738 ( 6.607 1.708 5.989) 9.079 5.008 ( 14.287 -8.500 -1.059) 16.658 5.513 ( -14.172 16.074 2.942) 21.630 6.249 ( 6.579 8.720 0.159) 10.925 6.565 ( 2.969 6.954 0.501) 7.578 7.240 ( 9.709 -6.215 -10.187) 15.384 7.916 ( -11.681 2.750 -8.512) 14.713 8.339 ( 3.000 -15.161 3.355) 15.815 8.981 ( 0.347 -4.051 4.001) 5.704 9.325 ( 6.622 1.363 -0.018) 6.760 10.323 ( -0.765 2.732 -0.721) 2.928 10.636 ( 4.069 1.906 -0.199) 4.498 10.749 ( -0.074 -9.031 8.979) 12.735 12.547 ( -26.577 -17.282 0.895) 31.714 20.663 ( 1.638 -5.719 -0.296) 5.957 20.876 ( -4.263 1.315 -1.699) 4.774 20.952 ( 0.417 -2.447 -0.541) 2.541 20.975 ( 0.966 -1.435 -0.387) 1.773 24.817 ( -0.435 -1.769 3.812) 4.225 24.912 ( -0.301 -0.916 0.777) 1.239 32.454 ( -0.522 -1.479 -0.202) 1.582 32.540 ( 0.239 1.090 -1.283) 1.700 42.707 ( 9.596 3.036 -3.427) 10.633 43.348 ( -3.792 8.060 -8.406) 12.248 43.878 ( 11.843 10.890 6.580) 17.382 46.202 ( -1.470 15.559 -36.166) 39.399 ======================= Grid point 29 (22/294) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -6.431 28.183 30.374) 41.931 3.319 ( 14.723 26.149 12.989) 32.699 3.940 ( 16.680 14.247 -18.502) 28.698 4.229 ( 2.961 7.690 -4.435) 9.359 4.685 ( -8.348 -9.696 -4.312) 13.502 5.327 ( 25.481 -0.262 -1.848) 25.550 5.578 ( 1.262 15.340 7.441) 17.096 6.378 ( 5.194 0.754 -7.280) 8.975 6.636 ( -8.470 10.875 4.189) 14.407 7.326 ( 3.647 -3.865 -11.298) 12.485 7.740 ( 2.311 3.345 -1.695) 4.405 8.364 ( 7.092 -6.927 6.895) 12.076 8.941 ( -2.091 -6.392 7.968) 10.427 9.426 ( 0.862 3.666 1.420) 4.025 10.307 ( -2.977 0.960 -3.069) 4.383 10.695 ( -0.972 -4.498 6.364) 7.854 10.739 ( 5.080 -0.999 -0.200) 5.182 11.842 ( -32.145 -16.361 -0.485) 36.072 20.645 ( 2.381 -4.860 -0.048) 5.412 20.784 ( -6.117 0.796 -1.053) 6.258 20.909 ( -1.910 -2.374 -0.909) 3.180 20.984 ( 1.760 -1.950 -0.323) 2.646 24.816 ( -0.032 -0.697 2.166) 2.275 24.899 ( -0.506 -0.915 0.440) 1.134 32.435 ( -0.137 -0.637 -0.107) 0.661 32.543 ( -0.279 0.923 -1.398) 1.698 42.951 ( 16.075 1.415 -0.402) 16.142 43.320 ( -3.380 8.179 -9.148) 12.729 44.259 ( 15.085 9.840 8.817) 20.053 46.078 ( -6.627 7.202 -27.082) 28.796 ======================= Grid point 30 (23/294) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( -4.590 27.703 27.203) 39.097 3.760 ( 8.248 6.132 3.365) 10.815 4.302 ( 9.933 -2.067 2.857) 10.540 4.352 ( 8.050 23.469 -16.791) 29.959 4.441 ( -0.826 -0.828 -2.165) 2.461 5.660 ( 20.349 -8.346 -9.627) 24.009 5.854 ( 9.627 4.668 6.677) 12.612 6.408 ( 0.510 1.232 -4.580) 4.770 6.522 ( -11.262 6.266 -0.881) 12.918 7.174 ( -5.751 0.516 -10.515) 11.996 8.029 ( 16.341 5.467 0.875) 17.254 8.474 ( 5.229 -3.646 11.967) 13.558 8.869 ( -4.607 -3.972 6.740) 9.079 9.423 ( -7.156 4.142 2.595) 8.665 10.178 ( -8.116 -3.588 -3.480) 9.532 10.678 ( 0.666 -3.431 5.015) 6.113 10.795 ( -1.729 3.672 0.070) 4.060 11.230 ( -16.273 -14.817 -1.517) 22.060 20.640 ( 1.735 -3.887 -0.116) 4.258 20.686 ( -5.697 1.651 -0.365) 5.943 20.843 ( -2.044 -2.145 -1.231) 3.209 20.987 ( 1.475 -2.730 -0.031) 3.104 24.823 ( 0.302 -0.156 1.154) 1.203 24.883 ( -0.555 -0.797 0.109) 0.978 32.439 ( 0.688 0.426 0.103) 0.816 32.532 ( -1.020 0.538 -1.286) 1.728 43.253 ( 13.905 1.876 3.115) 14.372 43.300 ( -0.248 6.522 -9.906) 11.863 44.668 ( 15.635 7.096 10.615) 20.186 45.846 ( -9.846 1.759 -21.583) 23.788 ======================= Grid point 31 (24/294) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( -7.611 22.777 16.852) 29.338 3.746 ( -5.457 -1.028 2.111) 5.941 4.358 ( 5.639 -7.785 -0.446) 9.623 4.497 ( 2.029 10.581 1.077) 10.827 4.807 ( 17.955 6.739 -4.703) 19.746 5.705 ( 3.029 -11.222 -7.861) 14.032 6.069 ( 12.620 -0.612 -4.380) 13.372 6.259 ( -9.013 7.536 -6.310) 13.336 6.626 ( 7.204 8.669 -0.642) 11.290 7.089 ( -0.995 2.454 -3.899) 4.713 8.209 ( -3.520 1.640 -0.137) 3.886 8.591 ( 5.029 -2.822 13.787) 14.944 8.804 ( -0.028 -2.713 3.218) 4.209 9.297 ( -11.609 2.081 0.556) 11.807 9.984 ( -6.563 -5.756 0.635) 8.753 10.663 ( -5.598 -0.419 3.160) 6.442 10.748 ( -4.076 4.685 1.730) 6.446 11.029 ( 5.730 -10.147 -3.341) 12.123 20.603 ( -3.079 0.419 -0.887) 3.232 20.643 ( -0.507 -0.242 0.445) 0.717 20.794 ( -0.371 -2.114 -0.853) 2.309 20.985 ( 1.580 -2.903 0.318) 3.321 24.833 ( 0.327 0.090 0.517) 0.618 24.867 ( -0.418 -0.636 -0.091) 0.766 32.467 ( 1.261 1.263 0.341) 1.817 32.507 ( -1.464 0.102 -0.918) 1.731 43.267 ( -3.674 7.279 -7.674) 11.197 43.549 ( 14.000 0.108 3.832) 14.516 44.991 ( 7.491 1.397 6.117) 9.772 45.607 ( -4.468 0.468 -12.611) 13.387 ======================= Grid point 32 (25/294) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( -19.056 7.071 -2.391) 20.465 3.852 ( 2.442 15.160 13.306) 20.318 4.328 ( 0.182 -10.917 4.207) 11.701 4.462 ( -7.488 -12.940 1.912) 15.072 5.009 ( 6.776 -4.591 -2.091) 8.448 5.653 ( 4.737 3.644 -13.774) 15.014 6.085 ( -6.048 6.080 -7.161) 11.172 6.358 ( 10.114 4.051 -4.670) 11.854 6.824 ( 4.596 9.775 -2.548) 11.098 7.143 ( 3.820 1.744 2.521) 4.898 8.025 ( -13.352 -0.211 4.922) 14.232 8.695 ( -6.259 6.370 11.338) 14.433 8.918 ( 18.261 -8.992 2.727) 20.537 9.064 ( -12.967 -0.008 -7.023) 14.747 9.834 ( -4.146 -7.931 3.012) 9.442 10.587 ( -4.015 2.556 2.645) 5.446 10.780 ( -0.264 5.293 -0.019) 5.300 11.062 ( 8.276 -7.358 -1.667) 11.199 20.561 ( -2.293 1.964 -1.237) 3.263 20.656 ( 1.377 1.068 0.663) 1.865 20.775 ( 0.908 -2.235 -0.000) 2.412 20.987 ( 1.727 -3.072 0.472) 3.556 24.836 ( -0.396 -0.040 -0.084) 0.406 24.859 ( 0.302 -0.269 0.006) 0.404 32.470 ( -1.808 0.328 -0.522) 1.910 32.513 ( 1.640 1.020 0.581) 2.017 43.229 ( -4.217 6.311 -6.711) 10.132 43.773 ( 8.538 0.295 5.550) 10.188 44.878 ( -12.289 -7.169 -9.597) 17.161 45.713 ( 12.647 3.662 5.946) 14.446 ======================= Grid point 33 (26/294) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( -21.200 2.221 -3.925) 21.674 3.945 ( -21.751 -16.771 8.993) 28.901 4.133 ( -3.727 9.756 8.914) 13.731 4.363 ( 12.228 -7.295 0.393) 14.244 4.984 ( -3.827 -2.639 -0.769) 4.712 5.684 ( 2.413 -2.745 -12.860) 13.369 5.998 ( -8.887 10.768 -7.609) 15.900 6.520 ( 6.937 -0.261 -2.109) 7.255 6.904 ( -2.384 8.065 -6.417) 10.578 7.228 ( 1.974 -0.178 7.860) 8.106 7.924 ( -1.754 -4.288 10.893) 11.837 8.562 ( -19.989 4.449 -7.057) 21.660 8.751 ( -4.945 -3.362 -6.839) 9.085 9.277 ( 10.635 2.216 8.530) 13.812 9.806 ( 11.045 -3.334 3.730) 12.125 10.586 ( -1.077 1.548 2.162) 2.869 10.831 ( -0.592 7.604 -2.240) 7.950 11.137 ( 10.651 -8.684 0.409) 13.748 20.556 ( -0.332 3.128 -1.646) 3.551 20.713 ( 2.755 1.374 1.160) 3.290 20.788 ( 2.455 -0.772 0.590) 2.641 20.981 ( 1.241 -3.979 0.473) 4.195 24.821 ( -0.872 -0.217 -0.392) 0.981 24.868 ( 0.641 0.024 0.016) 0.642 32.442 ( -1.339 0.276 -0.195) 1.381 32.551 ( 1.182 0.699 0.638) 1.514 43.175 ( -5.157 5.490 -5.615) 9.395 43.902 ( 2.364 0.371 5.862) 6.332 44.478 ( -16.348 -9.467 -9.930) 21.342 46.033 ( 14.389 2.942 8.826) 17.134 ======================= Grid point 34 (27/294) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -22.595 -4.459 0.650) 23.040 3.379 ( -29.152 -8.708 9.451) 31.859 4.183 ( -0.893 3.868 4.828) 6.251 4.607 ( 14.166 -1.281 0.269) 14.226 4.832 ( -9.984 -0.482 -2.087) 10.211 5.521 ( -12.059 -3.278 -6.624) 14.143 5.888 ( -8.838 6.200 -8.560) 13.777 6.516 ( -4.149 -3.685 2.744) 6.191 6.829 ( -11.396 2.571 -7.229) 13.738 7.342 ( 7.768 -3.746 9.816) 13.066 7.871 ( -2.936 -3.838 3.273) 5.836 8.283 ( -8.255 8.722 -11.396) 16.556 8.682 ( 1.089 -1.872 -1.828) 2.834 9.342 ( -1.994 -3.441 6.103) 7.285 10.142 ( 14.637 4.596 5.165) 16.187 10.581 ( -1.145 -0.497 0.832) 1.501 10.870 ( -1.951 6.050 -4.435) 7.751 11.347 ( 23.749 -4.472 2.224) 24.269 20.595 ( 1.540 4.192 -1.686) 4.773 20.772 ( 3.562 -2.003 1.294) 4.287 20.856 ( 3.488 2.600 0.240) 4.357 20.957 ( 0.595 -4.283 0.948) 4.427 24.800 ( -1.077 -0.177 -0.435) 1.175 24.880 ( 0.675 0.057 -0.029) 0.678 32.430 ( -0.341 0.404 -0.019) 0.529 32.571 ( 0.336 0.036 0.434) 0.550 43.099 ( -6.569 4.781 -4.501) 9.288 43.907 ( -3.022 -3.905 -2.411) 5.495 44.075 ( -16.546 -4.282 1.411) 17.149 46.337 ( 13.065 1.714 6.696) 14.781 ======================= Grid point 35 (28/294) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -26.430 -15.825 6.458) 31.475 2.919 ( -33.518 13.337 10.417) 37.548 4.263 ( 2.015 5.731 1.623) 6.288 4.564 ( -13.272 -1.633 -9.989) 16.691 4.779 ( 6.305 -6.609 -3.532) 9.793 5.076 ( -31.442 -7.090 4.944) 32.609 5.764 ( -9.622 11.556 -10.501) 18.341 6.414 ( -9.844 6.067 3.167) 11.989 6.534 ( -10.809 -9.733 1.255) 14.600 7.437 ( 4.332 -5.329 6.489) 9.449 7.923 ( 9.975 -3.852 -7.332) 12.965 8.294 ( 0.083 16.478 -3.488) 16.843 8.727 ( 6.365 -3.909 3.655) 8.315 9.294 ( -1.625 -4.266 4.524) 6.427 10.316 ( 1.506 -0.222 3.046) 3.405 10.562 ( -0.395 -0.349 1.244) 1.351 10.828 ( -2.872 -0.614 -3.688) 4.714 11.869 ( 33.489 2.019 -1.969) 33.608 20.665 ( 2.652 3.226 -1.181) 4.340 20.807 ( 3.784 -4.427 -0.335) 5.834 20.921 ( 2.069 -0.893 0.284) 2.272 20.962 ( 1.553 1.937 1.852) 3.098 24.778 ( -1.139 -0.005 -0.111) 1.144 24.892 ( 0.659 -0.001 0.006) 0.659 32.438 ( 0.753 0.293 -0.028) 0.809 32.569 ( -0.416 -0.347 0.037) 0.543 42.994 ( -8.208 3.640 -2.458) 9.309 43.651 ( -8.898 -7.537 -10.851) 15.929 43.913 ( -12.360 4.111 12.446) 18.015 46.576 ( 10.897 -0.122 0.528) 10.911 ======================= Grid point 36 (29/294) ======================= q-point: (-0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -28.046 -10.732 10.357) 31.765 2.501 ( -40.630 16.217 5.009) 44.032 3.967 ( -51.021 12.488 -11.726) 53.820 4.334 ( 0.201 2.255 -7.561) 7.893 4.602 ( -13.283 0.344 10.644) 17.025 4.889 ( 10.702 -8.449 6.864) 15.265 5.651 ( -11.644 12.340 -8.315) 18.895 6.176 ( -17.395 -2.325 2.195) 17.686 6.493 ( 4.247 -0.294 2.954) 5.182 7.511 ( 1.843 3.457 5.614) 6.846 7.937 ( 5.763 -6.869 -11.382) 14.489 8.536 ( 8.965 6.745 3.270) 11.685 8.846 ( 6.780 0.275 5.427) 8.689 9.256 ( 0.318 -5.424 3.307) 6.361 10.292 ( -2.382 -1.212 -0.284) 2.688 10.581 ( 0.368 0.553 3.674) 3.734 10.756 ( -0.474 -3.404 -0.239) 3.445 12.386 ( 28.714 -4.024 -10.328) 30.779 20.709 ( 2.686 -3.282 -0.166) 4.244 20.841 ( 3.632 0.688 -1.170) 3.877 20.954 ( 2.471 -0.842 0.321) 2.630 21.011 ( 0.158 1.760 1.245) 2.162 24.763 ( -0.864 0.243 1.137) 1.449 24.902 ( 0.606 -0.115 0.173) 0.641 32.458 ( 1.504 -0.260 -0.103) 1.529 32.554 ( -0.795 -0.107 -0.457) 0.923 42.877 ( -8.082 2.847 2.075) 8.817 43.433 ( -5.891 0.479 -9.026) 10.790 43.786 ( -14.006 3.747 10.392) 17.838 46.692 ( 6.897 -2.459 -13.596) 15.442 ======================= Grid point 38 (30/294) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -10.430 27.709 14.202) 32.837 1.992 ( -29.239 26.100 -3.783) 39.376 4.108 ( -2.583 12.027 -3.311) 12.739 4.414 ( -10.830 16.104 -2.678) 19.590 4.646 ( -21.534 15.097 18.877) 32.372 5.014 ( -0.951 -7.388 -3.404) 8.190 5.735 ( -3.936 8.917 2.691) 10.112 6.096 ( -7.122 15.977 5.743) 18.411 6.460 ( -2.309 -4.056 -4.950) 6.803 7.410 ( -1.951 -11.066 -12.546) 16.843 8.091 ( 0.868 11.431 -0.507) 11.476 8.447 ( 5.452 -16.876 8.409) 19.627 8.921 ( -4.401 -8.811 3.246) 10.370 9.173 ( 1.950 4.815 -4.690) 6.999 10.246 ( 2.464 -0.867 -0.161) 2.617 10.592 ( -0.620 -1.645 1.272) 2.170 10.901 ( 0.345 0.786 7.677) 7.725 12.266 ( 28.590 -14.893 -7.269) 33.046 20.710 ( 5.303 -0.790 1.303) 5.518 20.905 ( 1.204 -4.044 -0.525) 4.252 20.932 ( 3.370 0.095 -1.308) 3.616 20.939 ( -5.058 -2.702 -1.951) 6.057 24.805 ( 0.424 -0.725 3.623) 3.719 24.909 ( 0.525 -0.629 0.627) 1.032 32.455 ( 1.242 -1.153 -0.111) 1.699 32.540 ( -0.525 0.843 -1.437) 1.747 42.978 ( -5.885 3.136 7.338) 9.915 43.422 ( -4.358 10.222 -10.906) 15.570 43.770 ( -15.171 5.252 7.149) 17.574 46.240 ( -0.266 7.804 -38.894) 39.670 ======================= Grid point 39 (31/294) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -0.320 19.549 31.660) 37.211 2.367 ( 9.591 49.280 -2.307) 50.258 4.171 ( -19.578 28.994 5.515) 35.417 4.331 ( -2.248 -1.467 -12.362) 12.650 4.597 ( -7.529 10.678 10.454) 16.733 4.797 ( -6.964 -6.954 0.786) 9.873 5.910 ( 4.209 14.324 0.499) 14.938 6.185 ( -10.934 22.068 5.478) 25.230 6.341 ( 2.410 -7.520 -3.122) 8.491 7.190 ( -2.636 -9.234 -12.403) 15.686 8.058 ( -2.003 -0.582 -4.686) 5.129 8.514 ( 0.185 -7.196 2.267) 7.547 8.772 ( 1.172 -5.270 2.248) 5.848 9.201 ( 0.024 1.612 -1.667) 2.319 10.302 ( 2.904 1.653 0.644) 3.403 10.574 ( 0.016 -3.019 2.746) 4.080 10.840 ( -5.978 -4.346 5.362) 9.130 12.607 ( 24.293 -16.886 1.626) 29.629 20.727 ( -4.175 -5.200 0.733) 6.709 20.850 ( 2.807 1.095 -2.183) 3.721 20.891 ( 1.863 -4.523 -1.232) 5.045 20.977 ( 1.465 0.195 -0.613) 1.600 24.820 ( 0.305 -1.755 3.860) 4.251 24.912 ( 0.309 -0.912 0.764) 1.229 32.458 ( 0.537 -1.327 -0.120) 1.437 32.534 ( -0.239 0.921 -1.397) 1.690 42.839 ( -14.052 3.138 -0.659) 14.414 43.427 ( -0.212 9.971 -9.997) 14.121 43.703 ( -4.572 8.838 6.190) 11.719 46.179 ( 2.244 15.687 -36.696) 39.971 ======================= Grid point 40 (32/294) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 15.215 18.028 33.930) 41.325 3.019 ( 12.935 36.337 -0.225) 38.572 3.985 ( -22.426 15.333 -1.888) 27.232 4.287 ( -2.286 13.326 -10.086) 16.868 4.661 ( 1.327 0.011 3.175) 3.441 4.759 ( 3.797 1.645 2.727) 4.955 5.951 ( -12.896 7.514 -1.886) 15.044 6.200 ( 4.284 2.672 -4.872) 7.016 6.533 ( 8.078 17.310 2.901) 19.322 7.076 ( 1.169 0.884 -4.660) 4.885 8.056 ( 0.944 4.891 -6.127) 7.896 8.246 ( -11.509 -15.051 3.380) 19.246 8.877 ( 7.576 -4.287 1.406) 8.817 9.233 ( 3.489 1.314 1.499) 4.019 10.357 ( 0.404 2.429 -0.988) 2.653 10.572 ( 2.118 -2.883 2.355) 4.283 10.742 ( -2.663 -5.731 6.501) 9.067 12.631 ( -2.101 -20.625 2.638) 20.899 20.608 ( -2.197 -4.978 0.031) 5.441 20.875 ( 1.951 -4.785 -0.241) 5.173 20.908 ( 2.325 1.664 -3.052) 4.182 20.975 ( -1.292 -0.457 0.128) 1.376 24.822 ( -0.108 -1.640 3.048) 3.463 24.909 ( 0.009 -1.103 0.681) 1.296 32.446 ( -0.276 -1.162 -0.109) 1.199 32.537 ( 0.341 0.887 -1.338) 1.641 42.685 ( -4.693 5.026 -4.055) 7.983 43.448 ( -2.788 8.616 -8.920) 12.712 43.852 ( 6.192 10.592 5.453) 13.427 46.193 ( 0.836 13.604 -29.194) 32.219 ======================= Grid point 41 (33/294) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 12.447 14.266 31.662) 36.891 3.455 ( 10.181 16.247 -7.548) 20.606 3.877 ( -5.843 16.043 3.286) 17.387 4.367 ( -2.087 15.920 -8.292) 18.071 4.613 ( -3.525 -5.111 -2.009) 6.525 4.962 ( 14.777 4.442 -3.444) 15.810 5.822 ( -7.531 6.516 2.661) 10.308 6.229 ( 5.404 -4.312 -12.274) 14.088 6.829 ( 2.418 13.737 2.503) 14.171 7.205 ( 4.610 13.267 -1.661) 14.143 7.839 ( -13.365 -5.476 0.069) 14.443 8.245 ( 8.773 2.622 4.481) 10.194 8.907 ( 2.598 -8.065 5.392) 10.044 9.356 ( 6.789 1.630 -0.170) 6.984 10.342 ( -2.222 -0.940 -1.894) 3.067 10.611 ( 4.015 -4.327 3.253) 6.740 10.702 ( 0.008 -2.100 2.898) 3.579 12.201 ( -23.658 -18.872 2.765) 30.389 20.557 ( 1.380 -4.485 0.139) 4.695 20.851 ( 0.019 -3.745 -0.452) 3.772 20.904 ( -2.676 0.429 -2.258) 3.527 20.953 ( 0.204 -0.657 -0.068) 0.692 24.820 ( -0.074 -0.954 2.000) 2.217 24.898 ( -0.264 -1.104 0.412) 1.207 32.431 ( -0.234 -0.594 -0.003) 0.638 32.545 ( 0.280 0.777 -1.367) 1.597 42.748 ( 8.035 4.092 -2.713) 9.417 43.426 ( -3.916 8.470 -8.553) 12.658 44.147 ( 12.387 9.180 5.583) 16.397 46.135 ( -4.867 8.332 -22.418) 24.406 ======================= Grid point 42 (34/294) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.403 ( 5.430 12.783 29.972) 33.033 3.688 ( 8.505 7.523 -11.024) 15.826 4.100 ( 10.065 9.527 6.692) 15.390 4.387 ( -0.280 1.001 -6.702) 6.782 4.530 ( -5.563 13.888 -4.269) 15.558 5.229 ( 15.748 -1.245 -8.820) 18.092 5.830 ( -0.035 2.805 0.232) 2.814 6.252 ( 9.918 -3.374 -6.155) 12.150 6.848 ( -13.036 5.132 3.883) 14.538 7.264 ( -7.384 11.419 -12.884) 18.733 7.811 ( 10.902 -0.131 4.206) 11.686 8.468 ( 4.779 5.921 11.850) 14.082 8.916 ( 1.383 -2.009 6.468) 6.912 9.448 ( 3.617 -1.113 -2.704) 4.651 10.230 ( -5.433 -7.010 -1.090) 8.936 10.643 ( 2.263 -3.052 4.457) 5.856 10.733 ( 3.922 -0.434 -2.189) 4.513 11.576 ( -29.456 -12.140 4.009) 32.110 20.556 ( 2.850 -3.628 0.184) 4.617 20.790 ( -4.055 -0.230 -0.727) 4.126 20.840 ( -1.950 -2.651 -0.965) 3.430 20.949 ( 0.289 -0.994 -0.578) 1.186 24.822 ( 0.194 -0.378 1.154) 1.230 24.883 ( -0.420 -0.930 0.121) 1.027 32.431 ( 0.493 0.166 0.164) 0.545 32.544 ( -0.366 0.596 -1.288) 1.466 42.983 ( 15.375 2.248 -0.274) 15.541 43.399 ( -3.854 8.524 -8.206) 12.444 44.501 ( 15.588 5.827 6.573) 17.893 45.956 ( -10.436 3.793 -17.402) 20.643 ======================= Grid point 43 (35/294) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.721 ( 0.575 -2.828 -9.431) 9.863 3.751 ( -1.677 16.597 28.293) 32.844 4.304 ( -0.929 2.451 3.499) 4.372 4.464 ( 11.510 1.571 0.242) 11.619 4.641 ( 4.065 11.861 -6.547) 14.145 5.366 ( 13.569 -9.562 -12.080) 20.530 5.887 ( 5.859 5.025 -5.118) 9.261 6.417 ( 8.496 -1.146 2.082) 8.822 6.649 ( -11.484 8.282 -1.777) 14.270 7.184 ( -7.227 9.967 -7.863) 14.608 8.050 ( 15.207 -3.588 1.047) 15.660 8.594 ( -1.253 0.293 11.047) 11.122 8.935 ( -5.806 2.547 5.819) 8.606 9.417 ( -2.838 -2.966 -4.296) 5.942 10.036 ( -6.381 -8.830 2.065) 11.088 10.686 ( 1.741 0.423 2.199) 2.837 10.786 ( 5.455 -2.579 -2.641) 6.587 11.077 ( -20.590 -2.840 4.651) 21.299 20.575 ( 2.492 -2.291 0.083) 3.386 20.714 ( -4.590 1.228 -0.561) 4.784 20.779 ( -1.164 -2.699 -0.797) 3.046 20.940 ( 0.635 -1.807 -0.132) 1.920 24.830 ( 0.394 -0.028 0.578) 0.701 24.867 ( -0.463 -0.690 -0.065) 0.833 32.453 ( 1.382 0.726 0.335) 1.597 32.530 ( -1.180 0.414 -1.008) 1.606 43.287 ( 16.201 1.260 1.168) 16.292 43.377 ( -3.090 7.794 -6.381) 10.537 44.843 ( 14.436 1.249 5.961) 15.669 45.695 ( -11.808 1.308 -12.519) 17.259 ======================= Grid point 44 (36/294) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.544 ( -14.443 1.485 -6.122) 15.757 3.993 ( 3.789 3.342 17.062) 17.794 4.315 ( -6.357 8.881 4.994) 12.009 4.529 ( -4.061 -9.850 5.389) 11.939 4.769 ( 10.799 -3.841 -6.766) 13.310 5.437 ( 10.716 -4.096 -11.092) 15.957 6.091 ( 9.819 9.291 -6.406) 14.959 6.442 ( -7.245 14.433 -3.725) 16.573 6.732 ( 10.492 -0.353 1.347) 10.584 7.155 ( -2.492 8.583 -3.121) 9.467 8.227 ( 1.934 -1.396 3.132) 3.937 8.553 ( 3.055 -9.781 3.328) 10.774 8.884 ( -3.545 2.245 9.526) 10.409 9.238 ( -10.968 -2.333 -7.287) 13.373 9.870 ( -5.940 -8.253 4.028) 10.937 10.702 ( -3.300 1.740 1.767) 4.127 10.842 ( 3.439 0.009 -2.807) 4.439 10.883 ( -2.458 0.450 2.814) 3.763 20.592 ( 0.590 -0.351 -0.292) 0.746 20.664 ( -1.789 1.635 -0.309) 2.443 20.743 ( 0.093 -2.085 -0.250) 2.102 20.935 ( 1.073 -2.366 0.267) 2.611 24.839 ( 0.196 0.173 0.175) 0.314 24.854 ( -0.231 -0.500 -0.089) 0.558 32.492 ( 1.851 0.772 0.378) 2.041 32.503 ( -1.716 0.310 -0.569) 1.834 43.344 ( -4.375 7.464 -5.473) 10.237 43.590 ( 14.443 -0.013 3.046) 14.761 44.956 ( -4.449 -5.180 -1.983) 7.110 45.581 ( 4.963 2.729 -1.499) 5.859 ======================= Grid point 45 (37/294) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( -19.664 -1.793 -1.769) 19.825 4.067 ( -7.539 -18.212 -0.284) 19.713 4.218 ( 0.020 2.345 9.175) 9.470 4.417 ( -9.084 8.963 10.217) 16.347 4.882 ( 9.686 -3.780 -4.060) 11.162 5.529 ( 6.880 1.311 -10.951) 12.999 6.195 ( -4.774 6.918 -4.340) 9.460 6.478 ( -0.827 8.402 -2.635) 8.844 6.899 ( 7.163 0.260 -1.490) 7.321 7.224 ( 0.535 6.511 -0.949) 6.601 8.085 ( -11.630 -0.595 8.672) 14.520 8.643 ( 10.926 -14.144 -2.735) 18.080 8.884 ( -14.205 2.051 -5.140) 15.244 9.095 ( 9.565 6.137 6.222) 12.956 9.711 ( -3.218 -7.736 4.382) 9.456 10.659 ( -3.755 1.887 1.418) 4.435 10.895 ( 0.254 6.639 -1.649) 6.845 10.914 ( 6.006 -5.567 -1.141) 8.269 20.585 ( -0.806 1.432 -0.894) 1.870 20.689 ( 1.707 1.167 0.338) 2.096 20.742 ( 1.994 -0.748 0.193) 2.138 20.928 ( 0.897 -2.972 0.524) 3.149 24.833 ( -0.784 -0.067 -0.152) 0.802 24.857 ( 0.629 -0.044 0.049) 0.633 32.473 ( -1.808 0.418 -0.217) 1.868 32.532 ( 1.754 0.180 0.296) 1.788 43.307 ( -5.329 6.650 -3.276) 9.130 43.804 ( 9.072 -1.548 0.888) 9.246 44.669 ( -16.268 -5.546 -2.144) 17.321 45.818 ( 15.478 1.588 2.599) 15.775 ======================= Grid point 46 (38/294) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( -22.439 -5.943 4.090) 23.570 3.685 ( -12.092 -11.848 5.789) 17.891 4.331 ( -2.194 4.748 6.468) 8.318 4.436 ( 1.192 4.684 -1.193) 4.979 4.939 ( -1.489 0.697 -2.336) 2.857 5.568 ( 0.380 2.495 -3.559) 4.363 6.077 ( -10.076 4.132 -5.520) 12.210 6.506 ( 0.392 -3.685 1.147) 3.879 6.934 ( -2.471 4.441 -9.045) 10.375 7.253 ( 1.369 -2.441 2.201) 3.560 8.003 ( -7.129 -0.180 11.843) 13.825 8.484 ( -9.669 2.228 -14.211) 17.333 8.701 ( -5.712 1.186 0.119) 5.835 9.307 ( 3.124 -9.185 8.739) 13.057 9.854 ( 21.068 2.155 4.271) 21.604 10.626 ( -2.681 1.201 0.521) 2.983 10.885 ( 0.473 -6.213 -0.918) 6.299 11.043 ( 9.658 7.429 -4.364) 12.943 20.601 ( 1.064 2.490 -1.014) 2.892 20.708 ( 1.257 -2.633 0.631) 2.986 20.809 ( 4.133 1.628 -0.454) 4.465 20.919 ( 0.810 -1.746 1.342) 2.346 24.816 ( -1.009 0.001 -0.084) 1.013 24.868 ( 0.670 0.012 0.007) 0.670 32.450 ( -1.311 0.488 -0.001) 1.399 32.556 ( 1.152 -0.545 -0.007) 1.274 43.255 ( -6.557 5.450 -0.999) 8.585 43.841 ( 0.256 -5.549 -7.879) 9.641 44.372 ( -14.867 0.365 8.823) 17.292 46.109 ( 15.697 -0.096 -0.194) 15.699 ======================= Grid point 47 (39/294) ======================= q-point: (-0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -26.822 -10.606 8.615) 30.101 3.531 ( -13.338 10.955 9.241) 19.578 4.329 ( -3.445 4.794 1.753) 6.158 4.491 ( 6.981 -7.082 -3.561) 10.563 4.784 ( -13.880 1.752 -7.882) 16.057 5.493 ( -15.560 0.702 7.591) 17.328 5.980 ( -3.767 11.169 -7.660) 14.058 6.438 ( -0.927 -9.218 3.629) 9.950 6.786 ( -13.900 4.934 -12.160) 19.116 7.286 ( 7.295 -6.484 2.946) 10.195 7.895 ( -8.627 0.012 6.637) 10.885 8.432 ( -0.431 14.020 -7.817) 16.058 8.659 ( 0.074 -1.376 4.997) 5.183 9.252 ( 0.490 -11.540 6.084) 13.055 10.198 ( 12.431 -3.293 2.307) 13.065 10.597 ( -2.072 1.410 0.695) 2.600 10.802 ( -0.464 -8.254 -1.106) 8.341 11.382 ( 22.660 9.060 -7.430) 25.510 20.649 ( 1.399 1.196 -0.541) 1.919 20.700 ( 2.969 -4.286 -0.318) 5.224 20.872 ( 2.597 -0.411 -0.533) 2.683 20.961 ( 2.299 2.600 1.752) 3.888 24.799 ( -1.087 0.186 0.243) 1.130 24.880 ( 0.668 -0.055 0.036) 0.671 32.438 ( -0.479 0.296 -0.004) 0.564 32.562 ( 0.483 -0.839 -0.413) 1.053 43.172 ( -8.065 2.662 1.665) 8.654 43.663 ( -6.125 -3.539 -12.204) 14.106 44.247 ( -12.249 4.854 15.059) 20.009 46.337 ( 13.299 -2.028 -6.315) 14.861 ======================= Grid point 48 (40/294) ======================= q-point: (-0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -25.949 -2.331 11.837) 28.616 3.320 ( -33.868 13.863 1.735) 36.636 4.345 ( -4.268 2.433 -6.177) 7.892 4.474 ( -5.677 1.570 -10.629) 12.152 4.584 ( 8.570 -2.644 1.000) 9.025 5.169 ( -29.478 5.974 16.505) 34.308 5.997 ( -9.257 18.043 -7.135) 21.497 6.294 ( -7.006 -12.690 0.949) 14.526 6.570 ( -8.228 6.371 -2.814) 10.780 7.454 ( 15.565 -1.474 2.292) 15.802 7.776 ( -6.990 -1.832 0.410) 7.237 8.563 ( 0.285 8.674 1.428) 8.796 8.755 ( 8.634 0.479 7.128) 11.206 9.175 ( 1.075 -11.017 2.817) 11.422 10.263 ( 2.370 -5.016 -1.328) 5.705 10.604 ( 0.119 1.086 3.518) 3.684 10.715 ( -0.152 -6.002 -0.108) 6.005 11.815 ( 25.100 -0.086 -12.820) 28.184 20.635 ( 1.225 -4.794 0.540) 4.977 20.762 ( 5.074 0.705 -1.083) 5.236 20.903 ( 2.174 -0.905 -0.683) 2.452 21.030 ( 1.073 2.337 1.081) 2.790 24.787 ( -0.884 0.385 1.014) 1.399 24.891 ( 0.667 -0.180 0.164) 0.710 32.438 ( 0.399 -0.279 -0.109) 0.499 32.556 ( 0.004 -0.357 -0.845) 0.917 43.056 ( -7.923 -0.070 4.927) 9.330 43.505 ( -5.467 5.178 -10.961) 13.298 44.146 ( -14.695 5.087 14.119) 21.004 46.444 ( 8.892 -3.831 -16.336) 18.990 ======================= Grid point 50 (41/294) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -7.307 27.071 14.187) 31.424 2.763 ( -37.577 14.272 -6.307) 40.688 4.098 ( 0.469 -0.013 -2.587) 2.630 4.589 ( -5.181 9.109 -6.116) 12.134 4.784 ( 8.954 -9.105 -7.258) 14.688 5.456 ( -21.908 19.882 16.173) 33.716 5.944 ( -7.112 0.717 6.674) 9.780 6.355 ( -7.312 8.465 0.579) 11.200 6.568 ( -5.371 16.240 -2.121) 17.236 7.219 ( 2.952 -8.913 -16.994) 19.415 8.209 ( 6.546 -0.793 16.489) 17.758 8.255 ( -7.437 -10.727 -2.192) 13.235 8.924 ( 0.214 -5.213 11.148) 12.308 9.173 ( 2.179 6.255 -4.683) 8.111 10.133 ( 6.844 -4.016 -4.461) 9.103 10.581 ( -0.053 -2.052 -0.758) 2.188 10.911 ( 6.911 3.832 8.544) 11.638 11.647 ( 16.891 -15.526 -8.386) 24.427 20.627 ( 4.546 -0.218 1.787) 4.890 20.817 ( 3.383 -3.248 -1.394) 4.893 20.861 ( 2.822 -1.106 -1.517) 3.389 20.996 ( -4.587 -2.749 -1.017) 5.443 24.814 ( -0.123 -0.043 1.945) 1.949 24.895 ( 0.621 -0.637 0.343) 0.953 32.429 ( 0.612 -0.377 -0.034) 0.720 32.544 ( 0.037 0.617 -1.510) 1.631 43.105 ( -1.426 3.460 5.591) 6.728 43.566 ( -5.597 9.970 -8.481) 14.236 44.176 ( -20.145 4.066 10.361) 23.015 46.069 ( 4.371 1.509 -28.647) 29.018 ======================= Grid point 51 (42/294) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -15.272 16.489 23.764) 32.709 2.731 ( 0.602 41.405 -0.888) 41.419 4.098 ( 2.549 -2.965 -6.266) 7.386 4.529 ( -7.155 4.967 -5.011) 10.049 4.758 ( 4.488 -7.696 -4.854) 10.145 5.305 ( -26.422 18.989 13.552) 35.247 5.909 ( -1.456 5.699 -7.807) 9.775 6.284 ( -3.339 -3.600 -2.533) 5.525 6.700 ( -9.121 28.276 10.722) 31.587 7.088 ( -0.453 -2.099 -10.467) 10.685 7.967 ( 0.176 -17.416 -6.238) 18.501 8.461 ( 4.466 7.596 6.540) 10.973 8.831 ( -8.532 -7.272 9.143) 14.467 9.212 ( 0.151 1.733 -1.480) 2.284 10.216 ( 7.497 -2.017 -1.738) 7.956 10.554 ( -0.315 -2.054 0.137) 2.083 10.948 ( -6.498 -2.532 4.383) 8.236 11.933 ( 32.508 -14.765 0.709) 35.711 20.711 ( 2.900 -0.985 1.507) 3.414 20.802 ( 1.878 -5.095 -1.054) 5.532 20.851 ( -4.207 -2.195 -2.870) 5.546 20.927 ( 3.237 -0.402 -0.387) 3.284 24.821 ( 0.009 -0.673 2.216) 2.316 24.899 ( 0.496 -0.907 0.439) 1.123 32.437 ( 0.648 -0.430 -0.035) 0.778 32.540 ( -0.334 0.704 -1.505) 1.694 43.093 ( -9.299 2.645 3.236) 10.195 43.507 ( -4.554 10.187 -12.130) 16.482 43.972 ( -13.088 6.378 8.628) 16.924 46.054 ( 5.871 7.562 -27.239) 28.873 ======================= Grid point 52 (43/294) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 3.814 17.913 32.315) 37.144 3.151 ( 4.509 23.227 -4.788) 24.140 4.061 ( 3.890 1.808 -11.762) 12.520 4.435 ( -6.766 4.101 -1.554) 8.063 4.750 ( -0.541 0.573 0.433) 0.900 5.134 ( -22.498 20.296 11.109) 32.272 5.866 ( 6.220 -5.839 -21.343) 22.985 6.156 ( -4.389 -5.222 -3.982) 7.899 6.846 ( -6.327 18.860 5.635) 20.676 7.163 ( -1.328 21.129 7.927) 22.606 7.893 ( 9.802 -6.123 -7.270) 13.654 8.425 ( -14.424 -5.059 1.968) 15.412 8.748 ( 2.603 -3.537 5.885) 7.343 9.230 ( 0.870 1.417 2.726) 3.193 10.305 ( 5.660 -3.389 -0.556) 6.620 10.539 ( 0.160 -0.424 0.486) 0.664 10.805 ( -6.683 -3.928 4.176) 8.805 12.266 ( 20.376 -18.913 2.210) 27.888 20.634 ( -5.390 -4.183 0.279) 6.829 20.780 ( 2.341 -5.195 -1.026) 5.790 20.857 ( 3.493 1.523 -1.611) 4.137 20.969 ( 1.686 -0.533 -0.387) 1.810 24.823 ( -0.087 -0.979 2.011) 2.239 24.898 ( 0.268 -1.091 0.413) 1.197 32.440 ( 0.074 -0.424 -0.001) 0.430 32.535 ( -0.082 0.610 -1.380) 1.511 42.887 ( -14.072 3.227 -2.487) 14.650 43.514 ( -0.756 8.974 -9.896) 13.381 43.955 ( -2.985 9.060 7.001) 11.832 46.114 ( 5.571 8.764 -22.613) 24.884 ======================= Grid point 53 (44/294) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( 10.062 6.107 24.121) 26.840 3.241 ( 9.209 -0.689 -11.763) 14.955 4.219 ( -4.316 18.187 5.908) 19.603 4.342 ( -1.817 2.197 -7.280) 7.819 4.793 ( 5.981 4.603 -6.118) 9.715 5.029 ( -18.770 18.679 8.607) 27.845 5.850 ( 8.591 -4.112 -12.368) 15.611 5.996 ( -1.251 -8.304 -9.233) 12.481 6.969 ( -0.662 12.168 3.381) 12.646 7.415 ( -2.324 24.082 5.339) 24.776 8.016 ( -9.187 -8.718 2.987) 13.013 8.166 ( 5.120 12.705 -0.680) 13.715 8.766 ( 3.888 -10.665 5.236) 12.501 9.311 ( 2.649 3.729 3.454) 5.732 10.310 ( 1.344 -7.543 -0.297) 7.667 10.564 ( 1.338 1.955 -0.034) 2.369 10.711 ( -2.547 -2.669 2.905) 4.696 12.233 ( -1.748 -20.858 1.751) 21.004 20.530 ( -2.423 -2.905 0.418) 3.806 20.767 ( 2.551 -5.364 -0.476) 5.959 20.912 ( 1.795 1.763 -2.782) 3.751 20.965 ( -1.189 -0.939 0.535) 1.606 24.821 ( -0.093 -0.800 1.510) 1.711 24.891 ( 0.001 -1.093 0.262) 1.123 32.433 ( -0.379 -0.140 0.140) 0.427 32.536 ( 0.442 0.404 -1.319) 1.448 42.744 ( -4.048 4.416 -3.031) 6.714 43.519 ( -2.503 6.988 -7.437) 10.507 44.103 ( 5.475 8.953 4.441) 11.396 46.145 ( 0.637 6.357 -17.574) 18.699 ======================= Grid point 54 (45/294) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 20.250 -13.230 -16.253) 29.142 3.607 ( 12.086 11.437 22.941) 28.340 4.173 ( -1.772 -2.013 -0.143) 2.686 4.413 ( -3.671 13.886 -0.560) 14.374 4.900 ( -9.073 13.939 -2.814) 16.868 4.998 ( 2.669 5.114 -2.149) 6.156 5.870 ( -1.647 1.681 -2.301) 3.292 5.963 ( 12.882 -6.088 -6.815) 15.794 7.044 ( -3.340 2.855 3.473) 5.601 7.568 ( -10.752 23.272 -8.463) 26.997 7.723 ( -3.900 -7.530 2.993) 8.993 8.528 ( 5.774 11.470 10.471) 16.570 8.809 ( 10.809 -2.239 5.020) 12.126 9.385 ( 0.715 1.306 0.332) 1.525 10.206 ( -2.240 -11.368 0.328) 11.591 10.610 ( 1.751 1.231 0.902) 2.323 10.685 ( 0.473 -0.948 -0.563) 1.200 11.874 ( -17.264 -15.829 2.440) 23.549 20.496 ( 0.716 -1.882 0.618) 2.107 20.752 ( 1.943 -4.907 -0.493) 5.301 20.898 ( -3.564 0.781 -1.776) 4.058 20.943 ( -0.282 -0.281 -0.200) 0.446 24.821 ( 0.087 -0.428 0.956) 1.051 24.880 ( -0.209 -0.892 0.081) 0.920 32.430 ( -0.061 0.277 0.310) 0.420 32.541 ( 0.423 0.207 -1.237) 1.324 42.807 ( 7.377 3.654 -1.080) 8.303 43.500 ( -3.173 6.717 -6.316) 9.751 44.345 ( 11.154 5.469 3.489) 12.903 46.064 ( -6.334 3.358 -13.000) 14.846 ======================= Grid point 55 (46/294) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( 23.630 -10.865 -16.594) 30.852 3.986 ( 5.423 7.151 23.609) 25.258 4.248 ( 9.964 0.812 1.439) 10.100 4.474 ( -2.497 11.717 -1.764) 12.109 4.811 ( -11.286 8.830 0.208) 14.331 5.032 ( 5.856 -6.123 -11.108) 13.970 5.912 ( -0.570 9.484 -0.859) 9.540 6.140 ( 15.948 -5.967 1.829) 17.126 6.931 ( -10.758 -0.166 2.237) 10.990 7.445 ( -12.473 12.751 -6.861) 19.111 7.808 ( 8.455 2.865 -2.236) 9.203 8.645 ( 2.466 -2.796 9.081) 9.817 9.056 ( 0.557 6.341 4.413) 7.745 9.371 ( 0.119 0.378 -2.641) 2.670 10.029 ( -3.754 -12.747 1.265) 13.349 10.663 ( 2.506 1.077 1.148) 2.960 10.694 ( 2.178 -0.268 -1.528) 2.674 11.433 ( -20.669 -6.235 3.431) 21.860 20.513 ( 2.306 -1.030 0.554) 2.586 20.730 ( 0.749 -3.627 -0.472) 3.733 20.823 ( -4.731 0.630 -0.604) 4.811 20.927 ( -0.686 -0.584 -0.833) 1.227 24.826 ( 0.319 -0.114 0.498) 0.603 24.868 ( -0.341 -0.581 -0.030) 0.675 32.442 ( 0.765 0.531 0.404) 1.015 32.539 ( -0.157 0.109 -0.982) 1.000 43.034 ( 14.522 2.330 1.163) 14.754 43.481 ( -3.269 6.552 -5.068) 8.905 44.617 ( 14.239 0.735 2.511) 14.477 45.867 ( -11.787 1.285 -8.578) 14.634 ======================= Grid point 56 (47/294) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.522 ( 12.574 -2.419 -12.010) 17.556 4.084 ( -7.073 -5.798 15.401) 17.912 4.382 ( 8.004 -8.526 -5.125) 12.768 4.591 ( 1.570 9.008 0.507) 9.158 4.703 ( -12.144 7.360 6.106) 15.457 5.119 ( 16.731 -1.195 -7.154) 18.236 6.013 ( 5.144 8.885 -3.809) 10.951 6.396 ( 15.441 -3.826 6.394) 17.145 6.778 ( -8.941 4.625 -1.246) 10.144 7.344 ( -7.890 7.725 -1.632) 11.162 7.995 ( 11.367 2.758 -3.445) 12.194 8.660 ( -7.252 -1.968 3.492) 8.286 8.950 ( -3.604 -7.040 4.065) 8.893 9.348 ( -7.112 2.737 -3.626) 8.440 9.869 ( -2.202 -10.266 0.891) 10.537 10.717 ( 2.378 -1.161 1.445) 3.015 10.754 ( 3.332 3.885 -1.274) 5.274 11.109 ( -15.229 0.831 2.863) 15.519 20.553 ( 2.526 -0.205 0.310) 2.553 20.705 ( -0.392 -1.561 0.021) 1.609 20.751 ( -3.680 0.611 -0.576) 3.774 20.907 ( 0.012 -1.300 -0.451) 1.376 24.835 ( 0.489 0.078 0.192) 0.531 24.856 ( -0.458 -0.292 -0.055) 0.545 32.469 ( 1.516 0.346 0.338) 1.591 32.527 ( -0.926 0.151 -0.546) 1.085 43.335 ( 16.127 1.327 2.286) 16.342 43.463 ( -3.526 5.738 -2.949) 7.353 44.838 ( 10.650 -4.249 -0.271) 11.469 45.641 ( -9.722 1.385 -3.136) 10.309 ======================= Grid point 57 (48/294) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( -12.379 -1.140 -2.094) 12.607 4.002 ( -0.565 -8.699 4.575) 9.845 4.280 ( -3.707 -11.583 1.640) 12.272 4.498 ( 4.353 -8.676 -10.173) 14.061 4.814 ( -2.200 14.906 7.836) 16.983 5.384 ( 10.356 8.078 -1.578) 13.228 6.198 ( 6.868 0.830 -1.287) 7.037 6.601 ( 0.775 0.985 1.689) 2.103 6.733 ( 5.323 3.873 -0.523) 6.603 7.338 ( -2.111 8.320 -0.234) 8.587 8.199 ( 14.698 -6.858 -2.924) 16.480 8.368 ( -16.618 -4.242 4.230) 17.665 8.983 ( 1.952 0.430 -0.821) 2.161 9.178 ( -8.425 4.052 -1.370) 9.448 9.726 ( -3.969 -9.067 1.137) 9.963 10.713 ( -1.074 -2.970 0.050) 3.158 10.842 ( 1.153 4.777 -0.681) 4.962 10.964 ( -4.579 3.205 0.444) 5.607 20.590 ( 1.109 0.354 0.011) 1.164 20.691 ( -0.547 1.170 0.041) 1.292 20.715 ( -0.051 -0.674 -0.069) 0.680 20.898 ( 0.522 -1.318 0.017) 1.418 24.845 ( -0.551 0.175 -0.008) 0.579 24.846 ( 0.503 -0.110 0.009) 0.515 32.500 ( 1.707 -0.285 -0.003) 1.731 32.506 ( -1.428 0.280 0.003) 1.455 43.440 ( -4.078 4.280 -0.199) 5.916 43.606 ( 12.385 0.112 0.240) 12.388 44.824 ( -5.668 -5.632 -0.062) 7.990 45.622 ( 6.825 1.475 0.021) 6.982 ======================= Grid point 58 (49/294) ======================= q-point: (-0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( -19.944 -3.420 6.483) 21.248 3.727 ( -9.283 -17.333 5.776) 20.493 4.321 ( 5.103 4.447 -2.561) 7.237 4.491 ( 5.586 -4.137 -5.279) 8.728 4.939 ( 0.741 8.355 1.516) 8.524 5.604 ( 2.515 12.646 1.583) 12.990 6.194 ( -2.895 -5.027 0.776) 5.853 6.496 ( -5.389 -5.425 -1.501) 7.793 6.913 ( 4.662 3.300 0.079) 5.712 7.322 ( -7.539 4.052 -5.732) 10.301 8.178 ( -0.273 -3.067 6.795) 7.461 8.323 ( 5.427 -9.080 -1.680) 10.711 8.876 ( -7.531 7.746 -10.770) 15.255 9.238 ( 0.915 -2.040 7.385) 7.716 9.649 ( 5.864 -1.607 3.644) 7.089 10.658 ( -0.711 -2.682 -1.084) 2.979 10.830 ( -3.280 -2.065 0.025) 3.876 11.017 ( 3.477 8.241 -3.532) 9.617 20.600 ( 0.222 0.624 0.045) 0.664 20.682 ( -0.607 -2.011 -0.354) 2.131 20.752 ( 3.530 1.217 -0.182) 3.738 20.906 ( 0.932 0.621 0.884) 1.427 24.833 ( -0.823 0.103 0.056) 0.832 24.857 ( 0.613 0.086 -0.030) 0.619 32.482 ( -1.685 0.439 0.180) 1.751 32.523 ( 1.594 -1.075 -0.262) 1.941 43.399 ( -4.895 1.443 2.484) 5.675 43.729 ( 3.783 -1.231 -6.619) 7.723 44.652 ( -10.606 -0.191 9.342) 14.135 45.821 ( 14.557 -0.799 -3.546) 15.004 ======================= Grid point 59 (50/294) ======================= q-point: (-0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -25.817 -6.307 9.126) 28.100 3.636 ( 6.320 -4.791 10.848) 13.438 4.393 ( 2.677 2.753 -5.940) 7.073 4.485 ( -6.484 3.066 -1.023) 7.245 4.985 ( -6.266 6.333 -3.181) 9.460 5.733 ( -3.440 9.803 7.653) 12.903 6.061 ( -6.154 -1.809 -2.685) 6.954 6.360 ( 0.653 -9.717 1.291) 9.824 6.928 ( -4.662 3.841 -8.051) 10.065 7.177 ( -2.754 -2.949 -5.917) 7.162 8.139 ( -10.854 2.200 7.787) 13.539 8.352 ( 11.852 -8.180 -1.800) 14.513 8.818 ( -8.213 13.072 -5.043) 16.241 9.154 ( -1.907 -12.541 7.366) 14.669 9.916 ( 16.330 0.084 3.016) 16.607 10.633 ( 0.776 -1.336 -1.131) 1.915 10.725 ( -3.324 -5.573 -0.703) 6.528 11.191 ( 9.068 10.100 -5.894) 14.798 20.624 ( 1.901 -1.063 -0.292) 2.198 20.635 ( -0.558 -2.879 0.007) 2.932 20.822 ( 3.016 0.879 -0.872) 3.260 20.957 ( 2.091 2.872 1.425) 3.828 24.820 ( -0.914 0.261 0.275) 0.990 24.868 ( 0.612 -0.016 -0.019) 0.613 32.459 ( -1.454 0.255 0.195) 1.489 32.532 ( 1.254 -1.256 -0.636) 1.885 43.312 ( -6.144 -3.461 3.875) 8.046 43.676 ( -3.200 2.576 -10.610) 11.378 44.576 ( -9.957 4.701 16.576) 19.900 46.025 ( 14.392 -2.909 -9.414) 17.442 ======================= Grid point 60 (51/294) ======================= q-point: (-0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -23.844 0.400 11.967) 26.682 3.812 ( 1.715 4.688 2.661) 5.656 4.266 ( -11.891 -8.991 -4.904) 15.694 4.455 ( -0.283 9.990 2.754) 10.367 4.808 ( -15.489 9.016 -8.709) 19.926 5.713 ( -15.516 6.873 15.387) 22.908 5.994 ( 5.050 -8.198 -1.570) 9.755 6.377 ( 1.468 6.811 -2.050) 7.263 6.759 ( -11.489 5.061 -12.535) 17.741 7.161 ( 8.644 -6.589 -2.627) 11.182 8.028 ( -10.719 5.090 9.556) 15.236 8.488 ( 13.466 -7.624 -0.932) 15.503 8.781 ( -7.438 5.956 6.621) 11.603 9.069 ( 0.865 -6.657 1.489) 6.877 10.106 ( 7.552 -5.239 -1.272) 9.279 10.631 ( -0.606 -4.786 0.061) 4.824 10.643 ( 1.408 -0.046 0.449) 1.479 11.441 ( 14.028 4.376 -8.918) 17.189 20.578 ( 0.249 -4.567 0.368) 4.588 20.683 ( 3.881 0.172 -0.237) 3.892 20.859 ( 1.606 -0.139 -1.359) 2.108 21.031 ( 1.946 2.390 0.937) 3.221 24.810 ( -0.813 0.408 0.705) 1.150 24.878 ( 0.631 -0.170 0.058) 0.656 32.440 ( -0.868 -0.193 0.044) 0.890 32.537 ( 0.940 -0.626 -0.969) 1.488 43.177 ( -5.926 -4.708 4.057) 8.587 43.610 ( -4.484 8.338 -8.642) 12.818 44.527 ( -12.997 5.820 17.171) 22.308 46.142 ( 10.932 -4.514 -16.730) 20.489 ======================= Grid point 62 (52/294) ======================= q-point: ( 0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -5.014 21.831 12.831) 25.814 3.465 ( -34.676 7.721 -10.715) 37.106 3.958 ( 15.083 -1.608 -3.778) 15.632 4.652 ( -11.371 -8.373 -0.551) 14.132 4.783 ( -7.984 10.157 -6.006) 14.247 5.926 ( -7.054 7.424 9.427) 13.920 5.998 ( 3.516 0.389 12.075) 12.582 6.509 ( -7.488 0.651 -9.052) 11.766 6.827 ( -0.555 18.597 -3.197) 18.878 7.003 ( 6.071 -1.443 -5.033) 8.017 7.998 ( -1.404 -23.667 -3.602) 23.981 8.446 ( 1.524 12.281 10.989) 16.550 8.942 ( 0.827 -0.381 13.868) 13.898 9.159 ( 2.066 3.520 -4.348) 5.963 9.919 ( 4.477 -8.254 -6.028) 11.158 10.543 ( 1.817 -1.288 -1.362) 2.611 10.832 ( 8.954 2.797 5.566) 10.907 11.343 ( 1.776 -9.721 -3.972) 10.651 20.568 ( 3.433 0.535 1.807) 3.917 20.720 ( 3.703 -1.847 -1.342) 4.351 20.811 ( 0.182 -1.769 -1.261) 2.180 21.027 ( -2.628 -2.540 -0.807) 3.743 24.826 ( -0.293 0.178 0.994) 1.052 24.879 ( 0.563 -0.568 0.079) 0.804 32.429 ( -0.391 0.471 0.199) 0.644 32.533 ( 0.865 0.243 -1.302) 1.582 43.171 ( 0.490 4.402 2.541) 5.106 43.696 ( -3.744 5.544 -3.992) 7.790 44.622 ( -19.644 3.235 10.319) 22.424 45.838 ( 6.525 -1.220 -21.099) 22.119 ======================= Grid point 63 (53/294) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -12.482 15.996 20.764) 29.031 3.146 ( -9.335 29.553 -5.252) 31.434 4.095 ( -4.254 -1.374 1.308) 4.657 4.420 ( 9.587 -14.072 -8.955) 19.239 4.736 ( -6.759 11.820 -5.701) 14.761 5.810 ( -12.628 3.252 7.626) 15.106 6.055 ( -11.682 1.696 -2.570) 12.081 6.337 ( -5.348 1.710 -3.338) 6.532 6.918 ( 1.292 6.815 -11.211) 13.183 7.206 ( 3.350 21.575 10.414) 24.190 7.702 ( -0.312 -21.555 -7.375) 22.784 8.608 ( -3.180 12.568 7.857) 15.159 8.955 ( -5.975 -5.546 13.061) 15.397 9.196 ( 1.991 -0.498 -1.828) 2.749 9.959 ( 13.039 -9.169 -5.117) 16.741 10.550 ( 0.159 0.903 -0.940) 1.314 11.023 ( 0.356 -0.845 4.885) 4.971 11.333 ( 18.412 -10.486 0.341) 21.192 20.656 ( 4.059 0.757 1.962) 4.571 20.724 ( 1.061 -3.749 -1.618) 4.219 20.821 ( 3.129 -1.407 -1.994) 3.968 20.925 ( -4.247 -2.931 -0.511) 5.185 24.828 ( -0.234 -0.141 1.179) 1.211 24.883 ( 0.543 -0.798 0.128) 0.974 32.432 ( -0.011 0.554 0.135) 0.570 32.540 ( 0.250 0.398 -1.347) 1.427 43.236 ( -1.925 5.003 2.458) 5.897 43.635 ( -6.034 5.557 -8.358) 11.711 44.356 ( -18.867 4.108 8.477) 21.088 45.857 ( 7.742 2.662 -20.081) 21.686 ======================= Grid point 64 (54/294) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( -6.859 17.506 25.829) 31.948 3.306 ( -9.818 4.668 1.055) 10.923 4.005 ( 6.324 12.363 -7.699) 15.878 4.545 ( 4.005 0.932 2.143) 4.637 4.731 ( -0.275 7.798 -6.347) 10.058 5.654 ( -11.525 0.875 0.892) 11.592 5.709 ( -14.119 -2.866 -14.576) 20.494 6.234 ( -9.982 1.780 -0.903) 10.180 6.975 ( 1.491 6.829 -2.525) 7.432 7.443 ( 4.858 -4.025 -2.585) 6.817 7.691 ( 6.369 21.698 5.830) 23.353 8.621 ( -9.716 2.322 1.887) 10.166 8.798 ( -8.311 -6.772 8.844) 13.897 9.234 ( 2.465 1.281 3.904) 4.791 10.074 ( 12.350 -10.363 -1.892) 16.232 10.562 ( -0.662 3.587 -1.251) 3.856 10.911 ( -7.365 -4.664 3.303) 9.322 11.686 ( 26.752 -11.991 2.359) 29.411 20.680 ( -1.928 -3.758 0.002) 4.224 20.694 ( 0.148 -3.681 -0.384) 3.704 20.816 ( 1.555 1.277 -2.025) 2.855 20.911 ( 3.325 -1.140 0.278) 3.526 24.827 ( -0.252 -0.429 1.147) 1.251 24.883 ( 0.414 -0.920 0.135) 1.018 32.438 ( 0.020 0.390 0.079) 0.399 32.536 ( -0.232 0.370 -1.211) 1.287 43.147 ( -12.942 1.219 -0.248) 13.002 43.566 ( -2.127 7.716 -10.895) 13.519 44.198 ( -10.721 6.795 8.980) 15.548 45.945 ( 9.060 4.515 -17.089) 19.862 ======================= Grid point 65 (55/294) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( -11.196 -17.512 -9.208) 22.733 3.246 ( 5.528 14.782 28.857) 32.890 4.383 ( 6.138 13.695 -1.105) 15.048 4.492 ( -6.678 13.934 -3.347) 15.810 4.752 ( -3.084 0.995 -5.225) 6.148 5.448 ( 3.091 -6.671 -14.546) 16.298 5.555 ( -6.547 7.207 0.918) 9.780 6.047 ( -11.111 1.386 -0.719) 11.220 7.048 ( 1.767 2.567 0.455) 3.150 7.511 ( 9.310 0.523 -7.689) 12.086 8.147 ( 5.872 30.840 12.585) 33.823 8.359 ( -16.183 -1.245 -0.978) 16.260 8.668 ( -2.311 -11.375 7.251) 13.686 9.344 ( 2.218 5.907 5.289) 8.233 10.132 ( 7.574 -11.951 -1.121) 14.193 10.586 ( -0.332 4.386 -1.816) 4.759 10.769 ( -5.590 -3.491 2.485) 7.043 11.920 ( 14.597 -16.544 1.016) 22.087 20.575 ( -4.689 -1.977 0.127) 5.091 20.670 ( 1.959 -4.676 -0.480) 5.093 20.875 ( 2.954 2.025 -1.873) 4.042 20.950 ( 1.905 -1.328 0.560) 2.389 24.824 ( -0.213 -0.482 0.935) 1.073 24.880 ( 0.203 -0.885 0.085) 0.912 32.440 ( -0.193 0.330 0.159) 0.414 32.529 ( -0.129 0.181 -1.077) 1.100 42.911 ( -12.214 1.923 -2.863) 12.691 43.570 ( -0.709 5.445 -6.991) 8.890 44.195 ( -3.223 7.732 5.907) 10.250 46.051 ( 6.593 3.887 -13.042) 15.122 ======================= Grid point 66 (56/294) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 5.886 -18.003 -15.578) 24.524 3.678 ( 9.354 12.330 29.131) 32.987 4.213 ( -8.412 -2.062 -4.597) 9.805 4.605 ( -6.465 2.414 -11.280) 13.223 4.801 ( 7.780 10.193 -3.694) 13.344 5.349 ( -10.752 5.712 0.462) 12.184 5.655 ( 11.882 -1.936 -2.644) 12.325 5.935 ( -4.346 5.705 0.691) 7.205 7.081 ( 0.803 -2.140 0.330) 2.309 7.637 ( 5.164 1.462 -3.104) 6.200 8.038 ( -18.671 11.388 -5.896) 22.651 8.521 ( 3.626 -11.746 7.746) 14.530 8.731 ( 9.618 22.472 11.082) 26.838 9.443 ( -1.232 6.139 3.232) 7.046 10.074 ( 2.115 -14.784 -1.578) 15.018 10.614 ( 0.242 2.696 -1.078) 2.913 10.684 ( -1.919 -1.735 0.276) 2.602 11.878 ( -0.863 -14.475 0.699) 14.517 20.505 ( -2.267 -0.229 0.661) 2.373 20.660 ( 2.406 -4.463 -0.562) 5.101 20.920 ( 0.933 1.875 -2.723) 3.435 20.951 ( -0.620 -1.451 1.434) 2.132 24.821 ( -0.052 -0.321 0.621) 0.701 24.874 ( -0.005 -0.671 0.018) 0.671 32.440 ( -0.350 0.433 0.342) 0.653 32.526 ( 0.387 -0.075 -0.986) 1.062 42.790 ( -2.339 2.528 -1.621) 3.806 43.567 ( -1.483 3.829 -4.154) 5.841 44.286 ( 3.241 5.205 2.632) 6.673 46.088 ( 0.311 2.189 -8.734) 9.009 ======================= Grid point 67 (57/294) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 24.819 -10.224 -15.954) 31.226 4.063 ( 6.082 5.238 18.415) 20.089 4.154 ( 2.913 3.490 4.144) 6.152 4.478 ( 3.138 -2.901 -14.400) 15.021 4.888 ( -1.786 2.361 -3.030) 4.236 5.188 ( -14.697 4.544 2.177) 15.537 5.822 ( 12.106 -7.259 1.139) 14.161 6.026 ( 2.942 11.864 2.008) 12.388 7.016 ( -3.740 -6.507 1.578) 7.669 7.609 ( -5.072 -5.726 1.413) 7.779 7.948 ( -8.075 25.291 -10.710) 28.628 8.515 ( 7.612 -11.663 6.624) 15.422 9.106 ( 3.563 7.787 3.226) 9.151 9.469 ( -4.150 10.597 2.625) 11.680 9.916 ( -0.250 -16.623 -1.483) 16.691 10.642 ( 1.420 1.023 0.059) 1.751 10.668 ( 0.851 0.509 -0.488) 1.105 11.661 ( -11.391 -6.298 1.225) 13.074 20.495 ( 0.081 0.924 0.878) 1.277 20.659 ( 2.464 -3.567 -0.662) 4.385 20.896 ( -3.228 0.028 -0.070) 3.229 20.936 ( -0.836 0.124 -0.941) 1.265 24.823 ( 0.176 -0.096 0.293) 0.355 24.867 ( -0.168 -0.336 -0.011) 0.376 32.443 ( -0.001 0.435 0.427) 0.609 32.529 ( 0.549 -0.200 -0.754) 0.954 42.864 ( 8.049 2.145 0.701) 8.359 43.557 ( -1.808 3.381 -2.285) 4.463 44.426 ( 8.522 0.487 0.290) 8.541 46.009 ( -6.895 0.645 -4.344) 8.175 ======================= Grid point 68 (58/294) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 29.316 -0.667 -12.639) 31.931 4.056 ( 2.391 -12.393 -12.150) 17.520 4.309 ( -3.568 -0.187 13.529) 13.993 4.637 ( 8.263 6.505 -1.459) 10.617 4.846 ( 4.031 1.682 0.375) 4.384 5.003 ( -9.389 2.827 5.212) 11.105 5.913 ( 8.546 -9.333 0.705) 12.674 6.264 ( 7.368 12.185 4.515) 14.938 6.878 ( -4.631 -5.647 1.511) 7.457 7.444 ( -5.851 -8.234 2.922) 10.516 8.058 ( -3.768 23.886 -8.766) 25.722 8.623 ( 9.331 -2.895 2.409) 10.063 8.980 ( -8.840 -12.192 -1.887) 15.178 9.541 ( -7.624 11.187 1.933) 13.675 9.750 ( 0.834 -13.376 -3.230) 13.786 10.673 ( 1.876 -1.504 1.650) 2.917 10.737 ( 3.840 5.007 -0.531) 6.332 11.402 ( -15.768 0.888 1.201) 15.839 20.526 ( 1.311 1.579 0.775) 2.193 20.668 ( 2.122 -1.841 -0.353) 2.832 20.831 ( -4.315 0.131 0.591) 4.357 20.906 ( -1.452 -0.340 -1.314) 1.988 24.828 ( 0.384 0.063 0.031) 0.390 24.862 ( -0.318 0.005 0.005) 0.318 32.454 ( 0.675 0.096 0.292) 0.742 32.531 ( 0.132 -0.118 -0.300) 0.348 43.094 ( 14.408 1.661 2.299) 14.685 43.548 ( -2.033 2.593 0.167) 3.299 44.581 ( 11.642 -4.022 -2.652) 12.599 45.836 ( -11.308 0.031 0.342) 11.313 ======================= Grid point 70 (59/294) ======================= q-point: (-0.33 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.452 ( 17.224 6.645 -9.201) 20.627 3.909 ( 6.185 -16.575 -4.077) 18.155 4.143 ( -9.445 -9.911 -0.845) 13.717 4.470 ( -13.201 -7.312 -4.303) 15.693 4.963 ( 1.666 2.197 1.001) 2.933 5.316 ( 16.410 15.916 12.473) 26.042 5.999 ( 10.627 -7.790 2.439) 13.401 6.525 ( 7.290 8.644 2.352) 11.549 6.790 ( -2.425 0.120 0.829) 2.566 7.317 ( 1.624 -11.761 6.141) 13.367 8.111 ( -6.549 6.138 -8.053) 12.059 8.626 ( -9.784 3.158 -0.820) 10.313 8.874 ( 8.751 -1.329 0.388) 8.860 9.400 ( -12.762 1.731 -0.739) 12.900 9.647 ( -0.019 -7.095 -4.841) 8.589 10.682 ( 0.634 -3.695 1.290) 3.965 10.864 ( 3.648 7.078 -1.290) 8.067 11.160 ( -14.121 2.519 0.572) 14.355 20.573 ( 1.535 1.800 0.378) 2.396 20.690 ( 1.249 0.076 0.295) 1.286 20.760 ( -4.241 0.079 0.537) 4.276 20.880 ( 0.031 -0.479 -0.906) 1.025 24.837 ( 0.493 0.058 -0.131) 0.514 24.856 ( -0.475 0.302 0.044) 0.564 32.469 ( 1.202 -0.564 -0.002) 1.328 32.527 ( -0.594 0.063 0.208) 0.632 43.370 ( 13.089 0.015 0.776) 13.112 43.546 ( -1.188 2.067 3.762) 4.454 44.700 ( 9.700 -6.233 -4.322) 12.313 45.669 ( -8.151 0.451 4.046) 9.111 ======================= Grid point 71 (60/294) ======================= q-point: (-0.25 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.474 ( -10.207 -1.961 2.827) 10.771 3.743 ( -10.610 -19.592 3.742) 22.592 4.168 ( 17.073 -3.662 -7.421) 18.973 4.221 ( 3.375 -0.571 -6.662) 7.490 5.010 ( 1.029 1.668 0.118) 1.964 5.734 ( 6.232 17.942 7.882) 20.564 6.095 ( 5.970 -8.200 6.535) 12.066 6.538 ( -6.597 -6.636 -4.204) 10.258 6.905 ( 4.389 10.865 2.044) 11.895 7.344 ( 6.932 -8.785 3.172) 11.631 7.883 ( -1.555 -16.033 -4.080) 16.617 8.570 ( -12.118 13.033 4.563) 18.372 8.963 ( -0.430 5.868 -9.974) 11.580 9.266 ( -2.337 -0.290 0.780) 2.481 9.571 ( 1.745 -3.018 -0.907) 3.602 10.629 ( -1.550 -4.519 -0.406) 4.794 10.932 ( -6.340 2.724 -0.686) 6.935 11.030 ( 0.248 5.316 -1.779) 5.611 20.608 ( 0.147 1.329 0.041) 1.338 20.689 ( -2.412 -1.928 -0.228) 3.096 20.722 ( 1.004 1.512 0.685) 1.940 20.899 ( 1.728 1.581 0.213) 2.352 24.842 ( 0.051 -0.106 -0.147) 0.189 24.854 ( -0.169 0.539 0.048) 0.567 32.482 ( 1.401 -1.252 -0.305) 1.903 32.514 ( -1.285 0.195 0.508) 1.396 43.443 ( -0.220 -5.481 1.936) 5.817 43.645 ( 4.714 4.101 -0.336) 6.257 44.754 ( 3.338 -3.020 2.827) 5.316 45.637 ( 2.519 -0.270 1.406) 2.897 ======================= Grid point 72 (61/294) ======================= q-point: (-0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( -21.223 -6.633 4.275) 22.642 3.522 ( 0.653 -11.162 11.913) 16.338 4.209 ( 13.644 -5.543 -7.115) 16.355 4.532 ( 8.309 10.580 -2.311) 13.650 5.056 ( 2.814 2.514 -0.523) 3.809 5.964 ( -4.085 13.259 -0.100) 13.874 6.127 ( -1.843 -0.010 10.024) 10.192 6.268 ( -5.258 -12.244 -3.666) 13.821 6.985 ( -2.597 1.190 1.309) 3.142 7.221 ( -7.719 -5.122 -9.875) 13.540 7.925 ( 18.184 -14.439 1.880) 23.296 8.419 ( -14.661 4.643 3.680) 15.813 8.991 ( -0.973 12.276 -7.320) 14.325 9.175 ( -5.206 -6.256 0.273) 8.144 9.715 ( 11.183 3.186 3.750) 12.218 10.565 ( 0.100 -4.184 -1.361) 4.401 10.796 ( -7.044 -1.463 -0.944) 7.256 11.146 ( 4.526 7.898 -2.991) 9.581 20.600 ( -1.144 -1.847 -1.062) 2.418 20.631 ( -1.240 -0.908 0.874) 1.768 20.778 ( 2.849 1.496 -0.193) 3.224 20.961 ( 1.903 3.182 1.001) 3.841 24.836 ( -0.521 0.111 0.061) 0.536 24.860 ( 0.303 0.261 -0.046) 0.402 32.484 ( -0.081 -1.368 -0.166) 1.381 32.498 ( -0.165 0.059 0.128) 0.217 43.349 ( -3.364 -8.086 2.121) 9.011 43.709 ( -0.348 4.937 -4.668) 6.803 44.813 ( -1.532 2.674 13.389) 13.739 45.727 ( 9.655 -2.468 -6.311) 11.795 ======================= Grid point 73 (62/294) ======================= q-point: (-0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( -20.044 -1.126 8.229) 21.697 3.579 ( 10.920 -8.074 2.740) 13.854 4.394 ( 5.098 -1.619 -0.605) 5.383 4.634 ( -4.750 14.212 2.154) 15.139 5.092 ( -7.582 6.575 -2.278) 10.291 5.758 ( -4.311 -12.110 -7.560) 14.912 6.127 ( -7.840 3.428 13.313) 15.825 6.316 ( 7.055 7.650 0.740) 10.433 6.910 ( -6.337 2.468 -7.101) 9.833 7.021 ( -1.628 -6.102 -6.605) 9.138 8.028 ( 11.497 -13.536 -2.329) 17.912 8.321 ( -4.328 1.705 6.663) 8.126 9.016 ( -6.291 -6.202 5.494) 10.403 9.060 ( -2.609 12.354 -4.178) 13.300 9.936 ( 8.434 0.022 1.110) 8.506 10.531 ( 1.879 -4.915 -1.652) 5.515 10.687 ( -3.319 -0.044 -0.082) 3.321 11.289 ( 6.047 4.898 -3.944) 8.724 20.543 ( -0.788 -3.176 -0.411) 3.298 20.638 ( 1.285 0.061 0.492) 1.378 20.828 ( 1.662 0.567 -0.826) 1.940 21.028 ( 1.634 2.445 0.801) 3.048 24.829 ( -0.579 0.265 0.322) 0.713 24.868 ( 0.422 -0.016 -0.038) 0.424 32.459 ( -1.306 -0.519 0.175) 1.416 32.506 ( 1.137 -0.422 -0.603) 1.354 43.217 ( -3.656 -6.137 1.480) 7.295 43.713 ( -2.328 6.042 -4.158) 7.695 44.862 ( -7.423 5.159 16.926) 19.189 45.821 ( 10.437 -4.206 -13.712) 17.738 ======================= Grid point 76 (63/294) ======================= q-point: ( 0.08 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( 1.631 13.808 5.929) 15.116 3.560 ( 10.789 -1.067 -11.418) 15.745 4.078 ( -24.869 5.646 -4.340) 25.868 4.759 ( -6.496 -11.506 1.871) 13.345 5.040 ( -12.680 4.568 -2.260) 13.666 5.842 ( 19.807 8.844 11.996) 24.787 6.122 ( -6.487 -1.785 1.168) 6.829 6.478 ( 1.426 -10.066 -10.542) 14.645 6.916 ( -0.388 13.275 -8.765) 15.913 6.983 ( 5.387 3.052 13.985) 15.294 7.834 ( -2.201 -4.067 -4.517) 6.465 8.450 ( 8.355 2.189 3.242) 9.225 9.016 ( 1.219 3.978 3.909) 5.709 9.156 ( -1.698 -4.164 2.624) 5.206 9.839 ( -6.041 -5.261 -3.538) 8.757 10.496 ( 2.085 1.337 -0.153) 2.482 10.749 ( 5.514 1.512 2.173) 6.116 11.266 ( -1.949 -5.861 0.109) 6.178 20.539 ( 2.114 1.686 1.241) 2.976 20.650 ( 1.754 -0.816 -1.021) 2.187 20.806 ( -1.562 -1.236 -0.294) 2.014 21.031 ( -1.433 -2.457 -0.733) 2.938 24.835 ( -0.037 0.104 0.307) 0.327 24.867 ( 0.213 -0.382 -0.027) 0.438 32.451 ( -0.820 1.099 0.444) 1.441 32.509 ( 1.144 -0.156 -0.794) 1.401 43.208 ( 1.896 5.515 0.474) 5.851 43.751 ( -0.729 -0.518 0.070) 0.897 44.949 ( -9.568 -0.283 -1.122) 9.637 45.665 ( 1.134 0.357 -5.199) 5.334 ======================= Grid point 77 (64/294) ======================= q-point: ( 0.17 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( 3.053 18.900 12.476) 22.851 3.531 ( -9.530 11.795 -14.856) 21.229 3.979 ( 9.876 4.666 2.199) 11.142 4.381 ( -20.272 -15.489 2.587) 25.643 4.942 ( -6.208 8.886 -2.933) 11.229 5.972 ( -7.013 -3.816 0.826) 8.027 6.206 ( -3.880 0.326 -0.349) 3.909 6.345 ( 7.262 -0.568 -3.178) 7.948 6.975 ( -2.859 11.261 -6.486) 13.306 7.233 ( 8.372 2.662 8.251) 12.052 7.631 ( -8.210 0.864 -6.351) 10.416 8.706 ( 10.945 3.399 3.051) 11.859 9.067 ( -3.841 -8.826 6.558) 11.647 9.125 ( 2.705 4.393 5.378) 7.452 9.676 ( 0.652 -8.899 -4.333) 9.919 10.548 ( 1.754 2.733 -0.137) 3.250 10.920 ( 10.449 1.304 2.952) 10.936 11.152 ( -2.539 -8.060 0.938) 8.502 20.613 ( 3.000 1.166 1.865) 3.720 20.669 ( 1.925 -0.880 -1.623) 2.668 20.765 ( -0.192 -1.838 -0.823) 2.023 20.957 ( -3.091 -3.220 -0.774) 4.530 24.837 ( -0.196 0.080 0.517) 0.559 24.867 ( 0.407 -0.656 -0.053) 0.774 32.451 ( -0.858 1.324 0.385) 1.624 32.524 ( 1.076 0.002 -0.991) 1.463 43.310 ( 1.035 7.493 0.235) 7.568 43.712 ( -3.024 -0.724 -1.997) 3.695 44.729 ( -15.099 1.622 1.240) 15.236 45.673 ( 4.115 0.823 -9.593) 10.471 ======================= Grid point 78 (65/294) ======================= q-point: ( 0.25 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( -9.078 10.935 17.841) 22.810 3.621 ( -12.546 11.981 1.998) 17.462 3.967 ( 0.483 0.932 -5.285) 5.388 4.307 ( 18.332 3.981 2.435) 18.917 4.911 ( -6.788 8.740 -3.013) 11.469 5.737 ( -13.680 -10.642 -9.702) 19.863 5.938 ( -12.378 0.400 -6.821) 14.139 6.475 ( -5.576 7.475 5.102) 10.631 6.982 ( -0.002 -2.656 -2.093) 3.382 7.190 ( 1.147 -2.435 -10.986) 11.310 7.842 ( 11.071 19.887 7.894) 24.091 8.794 ( -2.750 -0.929 -1.680) 3.353 8.909 ( -8.455 -10.423 7.725) 15.486 9.245 ( 2.452 6.914 6.787) 9.994 9.699 ( 13.523 -10.990 -1.180) 17.465 10.604 ( 0.308 4.626 -0.863) 4.716 10.979 ( -4.528 -6.134 2.556) 8.041 11.219 ( 17.965 -3.999 1.593) 18.474 20.630 ( 0.174 -3.427 -0.284) 3.443 20.696 ( 0.379 0.263 0.490) 0.673 20.773 ( 3.206 -0.456 -2.244) 3.940 20.881 ( -1.464 -1.498 0.651) 2.193 24.835 ( -0.363 -0.096 0.552) 0.667 24.867 ( 0.467 -0.706 -0.044) 0.848 32.451 ( -0.676 1.006 0.196) 1.228 32.533 ( 0.408 0.108 -0.880) 0.976 43.339 ( -6.615 3.157 0.804) 7.374 43.616 ( -3.595 1.590 -8.033) 8.944 44.526 ( -13.818 5.202 6.547) 16.151 45.738 ( 8.525 1.410 -11.079) 14.050 ======================= Grid point 79 (66/294) ======================= q-point: ( 0.33 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( -25.686 -13.911 3.034) 29.368 3.540 ( -3.787 17.500 22.936) 29.097 4.301 ( 14.431 12.598 -5.975) 20.066 4.634 ( 7.968 2.580 4.793) 9.650 4.841 ( -6.813 7.250 -3.938) 10.700 5.260 ( -11.114 -10.342 -19.134) 24.425 5.771 ( -8.979 4.990 -2.629) 10.604 6.362 ( -15.156 4.529 4.438) 16.429 6.931 ( 6.357 -8.756 -4.695) 11.794 7.302 ( 9.252 8.598 -7.264) 14.570 8.252 ( 11.193 7.330 8.104) 15.643 8.649 ( -14.877 -3.099 1.543) 15.274 8.708 ( -3.176 0.848 4.834) 5.845 9.417 ( 2.060 10.908 6.155) 12.693 9.816 ( 12.467 -12.738 -0.697) 17.837 10.634 ( -1.122 4.278 -1.928) 4.825 10.838 ( -5.680 -5.407 1.672) 8.018 11.498 ( 18.539 -8.051 0.651) 20.223 20.589 ( -0.315 -3.607 -0.979) 3.751 20.655 ( -3.177 -0.906 0.378) 3.325 20.832 ( 3.454 1.652 -1.899) 4.274 20.895 ( 2.649 -1.034 1.554) 3.240 24.829 ( -0.367 -0.217 0.449) 0.620 24.868 ( 0.343 -0.586 -0.027) 0.679 32.450 ( -0.410 0.555 0.050) 0.692 32.531 ( -0.236 0.112 -0.616) 0.669 43.141 ( -14.399 -0.433 -2.161) 14.567 43.581 ( 0.245 2.748 -6.195) 6.782 44.419 ( -9.964 6.531 6.875) 13.755 45.870 ( 10.332 1.643 -8.694) 13.603 ======================= Grid point 80 (67/294) ======================= q-point: ( 0.42 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -20.184 -9.511 0.919) 22.332 3.835 ( 3.775 13.171 24.448) 28.026 4.361 ( -10.415 -0.902 -5.078) 11.622 4.526 ( -4.218 -7.520 -15.740) 17.947 4.869 ( 1.082 6.737 0.743) 6.864 5.240 ( 14.466 0.326 -5.545) 15.495 5.682 ( -7.155 6.980 -2.023) 10.198 6.160 ( -12.229 1.312 3.576) 12.809 6.975 ( 6.310 -2.672 -3.601) 7.741 7.517 ( 8.995 5.976 -3.721) 11.422 8.327 ( 4.431 -19.153 6.864) 20.823 8.384 ( -14.472 4.636 -2.971) 15.484 8.911 ( 4.764 20.259 8.607) 22.521 9.574 ( -0.850 12.415 4.268) 13.156 9.828 ( 6.248 -16.240 -3.212) 17.694 10.638 ( -0.897 2.243 -1.474) 2.830 10.711 ( -3.726 -3.502 0.262) 5.120 11.675 ( 10.519 -7.146 -0.050) 12.716 20.540 ( -1.105 -2.033 -0.721) 2.424 20.612 ( -1.396 -0.213 0.529) 1.508 20.893 ( 2.732 1.625 -2.024) 3.769 20.934 ( 1.668 -1.336 1.808) 2.799 24.824 ( -0.223 -0.165 0.257) 0.378 24.867 ( 0.163 -0.341 -0.018) 0.378 32.449 ( -0.128 0.201 -0.023) 0.240 32.523 ( -0.404 0.078 -0.289) 0.503 42.903 ( -9.866 -0.103 -2.153) 10.098 43.583 ( 0.291 0.931 -2.515) 2.697 44.369 ( -5.396 4.424 3.292) 7.715 46.006 ( 6.893 1.084 -4.468) 8.286 ======================= Grid point 81 (68/294) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -0.000 0.000 0.000) 0.000 4.068 ( 0.000 0.000 0.000) 0.000 4.255 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 -0.000 -0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 5.396 ( -0.000 0.000 0.000) 0.000 5.637 ( 0.000 0.000 0.000) 0.000 6.059 ( -0.000 0.000 0.000) 0.000 7.013 ( -0.000 0.000 0.000) 0.000 7.631 ( 0.000 0.000 0.000) 0.000 8.245 ( 0.000 -0.000 0.000) 0.000 8.285 ( -0.000 0.000 -0.000) 0.000 9.122 ( 0.000 0.000 0.000) 0.000 9.687 ( -0.000 0.000 0.000) 0.000 9.715 ( 0.000 -0.000 -0.000) 0.000 10.635 ( 0.000 0.000 0.000) 0.000 10.663 ( 0.000 0.000 0.000) 0.000 11.728 ( -0.000 0.000 0.000) 0.000 20.517 ( -0.000 0.000 0.000) 0.000 20.601 ( 0.000 0.000 0.000) 0.000 20.926 ( 0.000 0.000 -0.000) 0.000 20.942 ( -0.000 -0.000 0.000) 0.000 24.821 ( 0.000 0.000 0.000) 0.000 24.867 ( -0.000 0.000 0.000) 0.000 32.449 ( 0.000 0.000 0.000) 0.000 32.519 ( -0.000 0.000 0.000) 0.000 42.807 ( -0.000 0.000 0.000) 0.000 43.584 ( 0.000 0.000 0.000) 0.000 44.354 ( 0.000 0.000 0.000) 0.000 46.062 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 162 (69/294) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -0.000 0.000 37.433) 37.433 0.593 ( -0.000 0.000 37.433) 37.433 0.974 ( -0.000 0.000 61.432) 61.432 4.460 ( 0.000 -0.000 -0.600) 0.600 4.460 ( 0.000 -0.000 -0.600) 0.600 5.329 ( 0.000 -0.000 -2.822) 2.822 5.329 ( 0.000 -0.000 -2.822) 2.822 5.726 ( -0.000 0.000 2.243) 2.243 6.716 ( 0.000 -0.000 -2.647) 2.647 7.569 ( -0.000 0.000 0.092) 0.092 7.569 ( 0.000 0.000 0.092) 0.092 8.977 ( 0.000 -0.000 -1.978) 1.978 8.977 ( 0.000 -0.000 -1.978) 1.978 9.420 ( 0.000 -0.000 -28.594) 28.594 10.446 ( -0.000 0.000 22.950) 22.950 10.547 ( -0.000 0.000 1.535) 1.535 10.547 ( -0.000 0.000 1.535) 1.535 13.271 ( 0.000 -0.000 -2.739) 2.739 20.875 ( 0.000 -0.000 -0.069) 0.069 20.875 ( 0.000 0.000 -0.069) 0.069 20.965 ( -0.000 0.000 0.114) 0.114 20.965 ( -0.000 0.000 0.114) 0.114 24.929 ( -0.000 0.000 1.007) 1.007 25.374 ( 0.000 -0.000 -0.826) 0.826 32.518 ( 0.000 -0.000 -0.002) 0.002 32.529 ( -0.000 0.000 0.013) 0.013 42.619 ( 0.000 0.000 0.205) 0.205 42.619 ( 0.000 0.000 0.205) 0.205 43.282 ( 0.000 0.000 -0.204) 0.204 43.282 ( 0.000 0.000 -0.204) 0.204 ======================= Grid point 163 (70/294) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 2.872 33.116 21.115) 39.380 1.058 ( 14.254 14.740 31.082) 37.236 2.199 ( 63.729 20.276 36.005) 75.953 4.330 ( -1.927 -9.535 -5.333) 11.093 4.549 ( -0.515 4.834 4.775) 6.814 5.191 ( -10.408 4.096 4.023) 11.887 5.322 ( 9.117 -6.461 -6.893) 13.129 5.687 ( 5.953 6.957 10.800) 14.159 6.648 ( -4.096 -1.618 -3.517) 5.636 7.606 ( 3.149 -3.584 1.706) 5.067 7.774 ( 6.534 4.015 -13.651) 15.658 8.826 ( -6.336 -3.217 -6.321) 9.510 8.991 ( 0.684 0.301 0.006) 0.747 9.229 ( -4.710 5.300 -11.040) 13.121 10.328 ( -3.627 -0.889 11.460) 12.054 10.567 ( 2.201 -1.681 1.268) 3.046 10.890 ( 5.163 3.091 6.017) 8.510 13.029 ( -17.661 -11.894 -4.960) 21.862 20.830 ( -2.997 -2.435 0.241) 3.869 20.887 ( 2.096 -0.190 -0.768) 2.240 20.968 ( -0.754 1.713 -0.599) 1.965 21.002 ( 0.139 0.542 -1.816) 1.900 24.929 ( -0.699 -0.412 1.412) 1.628 24.985 ( -12.902 -7.492 13.346) 20.018 32.508 ( -0.402 -0.336 -0.655) 0.839 32.518 ( -0.616 -0.222 -0.145) 0.671 42.740 ( 9.423 -1.022 3.866) 10.236 43.221 ( -0.580 -0.845 -4.722) 4.832 43.398 ( 7.650 10.544 -0.239) 13.029 44.961 ( 87.427 51.047 -99.727) 142.108 ======================= Grid point 164 (71/294) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 12.963 19.471 22.483) 32.445 1.780 ( 24.983 33.556 7.636) 42.526 3.544 ( 50.008 9.812 16.301) 53.505 4.215 ( 3.430 -3.823 -4.322) 6.712 4.656 ( 3.292 10.440 12.145) 16.350 5.100 ( -7.052 -3.025 -2.818) 8.174 5.475 ( 17.644 0.071 -5.248) 18.408 5.961 ( 8.126 9.752 6.925) 14.460 6.531 ( -5.151 -0.720 -3.564) 6.305 7.581 ( -8.865 5.966 -8.278) 13.517 7.787 ( 11.647 -12.091 -5.548) 17.681 8.721 ( -2.107 -0.294 -0.619) 2.215 9.013 ( 0.747 -0.416 4.243) 4.328 9.161 ( -6.734 7.972 -6.469) 12.278 10.317 ( -3.755 -0.392 6.740) 7.725 10.596 ( 1.525 -0.111 0.455) 1.595 10.951 ( -1.603 -2.925 10.683) 11.191 12.460 ( -24.628 -16.518 -10.435) 31.437 20.745 ( -4.015 -2.406 0.961) 4.779 20.897 ( 0.775 -3.902 -1.134) 4.136 20.964 ( -2.466 -0.146 -0.718) 2.572 20.984 ( -0.205 3.743 -1.733) 4.130 24.862 ( -3.693 -2.251 6.331) 7.667 24.925 ( -0.823 -0.460 1.210) 1.534 32.477 ( -1.623 -0.945 -0.243) 1.894 32.519 ( 0.596 0.381 -1.299) 1.479 42.944 ( 9.784 0.338 7.975) 12.627 43.203 ( 4.303 -0.831 -9.455) 10.421 43.709 ( 12.274 14.331 4.557) 19.411 45.717 ( 26.271 16.149 -60.671) 68.058 ======================= Grid point 165 (72/294) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 17.980 12.931 19.947) 29.806 2.589 ( 24.926 36.302 -0.711) 44.041 4.014 ( 9.629 0.190 -6.134) 11.418 4.393 ( 10.770 -1.000 -0.099) 10.817 4.824 ( -9.396 -13.010 -7.520) 17.722 5.189 ( 25.692 18.409 21.564) 38.262 5.869 ( 24.471 7.308 -2.044) 25.620 6.166 ( 2.057 3.103 7.035) 7.959 6.441 ( -1.329 0.558 -6.862) 7.012 7.339 ( -12.881 1.655 -17.511) 21.801 7.950 ( 16.856 -7.252 6.564) 19.488 8.686 ( -6.013 2.572 2.538) 7.015 9.045 ( -0.993 -1.667 10.632) 10.808 9.078 ( -6.586 4.833 -3.925) 9.063 10.231 ( -8.033 -1.246 0.765) 8.165 10.613 ( -0.672 1.418 -0.327) 1.603 10.915 ( -3.220 -7.512 11.862) 14.406 11.836 ( -20.061 -13.034 -12.938) 27.198 20.661 ( -3.877 -1.812 1.452) 4.519 20.834 ( -1.766 -4.673 -1.216) 5.142 20.896 ( -3.560 -0.384 -1.428) 3.855 21.025 ( 1.004 2.837 -1.177) 3.232 24.834 ( -1.106 -0.771 3.177) 3.451 24.909 ( -0.927 -0.528 0.688) 1.269 32.442 ( -1.205 -0.522 -0.145) 1.321 32.525 ( 0.511 0.113 -1.591) 1.675 43.092 ( 1.593 1.346 3.891) 4.415 43.308 ( 13.960 -0.817 -5.473) 15.017 44.136 ( 14.826 15.996 8.419) 23.379 45.817 ( 7.210 4.775 -40.409) 41.324 ======================= Grid point 166 (73/294) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 16.087 9.663 16.716) 25.131 3.331 ( 21.992 33.622 -5.454) 40.544 4.027 ( -9.856 -5.304 -4.043) 11.901 4.494 ( 11.911 1.504 -9.261) 15.162 4.684 ( 7.818 -2.314 0.809) 8.193 5.829 ( 17.254 11.287 14.563) 25.242 6.123 ( -8.859 -0.309 9.909) 13.296 6.363 ( 24.209 -7.294 -3.601) 25.539 6.416 ( 3.170 2.743 -12.058) 12.766 7.065 ( -8.467 0.990 -12.092) 14.795 8.238 ( 14.398 -3.591 7.302) 16.539 8.509 ( -20.725 6.309 1.772) 21.736 9.030 ( 2.471 -4.674 5.491) 7.623 9.055 ( -3.529 0.631 8.878) 9.575 10.041 ( -9.653 -0.346 -4.983) 10.869 10.589 ( -3.598 1.304 -0.341) 3.842 10.827 ( -3.257 -8.202 8.458) 12.224 11.448 ( -7.698 -5.536 -8.409) 12.674 20.590 ( -3.196 -1.499 1.372) 3.788 20.744 ( -2.966 -3.565 -0.818) 4.709 20.836 ( -1.858 0.073 -1.632) 2.475 21.052 ( 0.397 1.208 -0.872) 1.542 24.832 ( -0.168 -0.210 1.591) 1.613 24.891 ( -0.862 -0.505 0.244) 1.029 32.428 ( -0.168 0.290 0.091) 0.347 32.520 ( 0.037 -0.415 -1.487) 1.544 43.120 ( 1.093 0.589 -2.562) 2.847 43.535 ( 12.093 0.307 1.596) 12.202 44.597 ( 14.049 14.997 9.455) 22.620 45.705 ( 0.038 -0.467 -28.767) 28.771 ======================= Grid point 167 (74/294) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 9.757 6.777 11.316) 16.407 3.641 ( -16.334 -5.352 -7.970) 18.946 3.962 ( 18.302 24.726 -3.660) 30.979 4.736 ( 12.769 -0.308 -7.553) 14.839 4.936 ( 13.922 9.754 2.670) 17.207 5.836 ( -13.311 -12.719 9.604) 20.765 6.208 ( -1.770 2.928 -0.763) 3.505 6.422 ( 12.833 -1.069 -0.421) 12.885 6.560 ( 10.479 -5.784 -16.756) 20.592 7.028 ( 1.356 3.719 5.743) 6.976 8.041 ( -19.737 -3.113 -6.405) 20.983 8.485 ( -1.444 0.988 13.678) 13.790 9.034 ( -3.343 0.218 3.328) 4.722 9.133 ( 7.267 -1.800 7.719) 10.754 9.913 ( -3.233 3.669 -5.152) 7.103 10.518 ( -4.426 -0.439 0.477) 4.473 10.750 ( -2.147 -4.351 4.266) 6.460 11.316 ( -0.910 -2.418 -2.907) 3.889 20.537 ( -1.942 -1.342 0.809) 2.496 20.666 ( -2.200 -1.642 -0.611) 2.813 20.818 ( -0.009 0.641 -0.828) 1.047 21.057 ( -0.141 0.315 -0.577) 0.672 24.836 ( 0.016 -0.055 0.658) 0.660 24.874 ( -0.584 -0.354 -0.026) 0.683 32.441 ( 0.617 0.813 0.344) 1.077 32.504 ( -0.291 -0.667 -1.004) 1.240 43.125 ( 1.512 -0.473 -4.383) 4.661 43.721 ( 6.384 0.991 4.585) 7.922 44.941 ( 5.347 8.646 -1.846) 10.332 45.590 ( 3.128 0.073 -10.458) 10.916 ======================= Grid point 168 (75/294) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( -10.831 -4.908 0.580) 11.906 3.486 ( 3.649 9.845 -1.591) 10.619 4.370 ( 6.361 8.928 1.228) 11.031 4.790 ( -1.305 -2.197 -8.425) 8.804 5.166 ( -0.472 0.200 -1.205) 1.309 5.576 ( 0.338 -12.105 9.472) 15.374 6.088 ( -3.733 -4.880 -12.211) 13.670 6.472 ( -3.017 8.976 -12.756) 15.887 6.736 ( 13.559 -5.202 1.043) 14.560 7.107 ( -2.243 1.072 13.952) 14.171 7.852 ( 4.111 3.476 0.824) 5.446 8.437 ( -10.219 -0.105 6.492) 12.107 8.949 ( -5.058 -4.518 -3.345) 7.562 9.221 ( -0.683 -0.874 4.606) 4.738 9.928 ( 2.344 2.806 -1.758) 4.057 10.482 ( 0.644 0.576 2.183) 2.348 10.704 ( -1.987 -1.220 1.990) 3.065 11.322 ( 3.472 0.340 1.074) 3.650 20.508 ( -0.228 -1.044 0.051) 1.070 20.639 ( 0.040 0.766 -0.293) 0.821 20.831 ( 0.888 0.307 0.346) 1.001 21.054 ( -0.170 0.503 -0.497) 0.727 24.833 ( -0.453 -0.267 -0.093) 0.534 24.867 ( 0.061 0.016 -0.004) 0.063 32.451 ( -0.250 -0.496 -0.123) 0.569 32.503 ( 0.777 0.813 0.282) 1.159 43.114 ( 1.347 -1.865 -5.134) 5.626 43.816 ( -0.352 1.470 6.661) 6.830 44.862 ( -7.403 -3.286 -19.111) 20.756 45.782 ( 11.443 6.458 10.916) 17.082 ======================= Grid point 169 (76/294) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -20.208 -6.586 -2.714) 21.427 3.793 ( 12.184 16.070 -0.736) 20.181 4.257 ( -15.487 -21.668 11.111) 28.859 4.608 ( -6.940 0.742 -11.727) 13.647 4.992 ( -10.225 -7.124 3.270) 12.884 5.703 ( 5.960 -0.459 -0.076) 5.978 5.835 ( -5.443 -7.637 -13.305) 16.278 6.521 ( 0.708 13.241 -8.223) 15.603 6.813 ( 1.407 -7.813 2.706) 8.387 7.148 ( -0.950 2.735 14.734) 15.015 8.178 ( -14.031 0.255 -1.392) 14.102 8.195 ( 18.182 0.442 1.844) 18.280 8.740 ( -5.238 -7.206 -11.162) 14.281 9.185 ( -6.485 3.785 5.509) 9.313 10.024 ( 6.444 1.265 2.113) 6.898 10.554 ( 3.586 1.241 2.089) 4.331 10.674 ( -2.099 0.904 0.073) 2.287 11.465 ( 9.109 3.634 6.285) 11.648 20.510 ( 1.675 -0.536 -0.740) 1.908 20.678 ( 2.183 2.983 0.145) 3.699 20.856 ( 1.324 -0.122 1.428) 1.951 21.056 ( -0.070 0.702 -0.782) 1.053 24.816 ( -0.826 -0.450 -0.515) 1.072 24.874 ( 0.444 0.250 -0.025) 0.511 32.434 ( -0.346 -0.806 -0.098) 0.882 32.535 ( 0.909 1.197 0.806) 1.706 43.075 ( 0.365 -3.352 -5.906) 6.800 43.811 ( -6.476 1.816 8.457) 10.806 44.534 ( -10.500 -8.341 -19.441) 23.617 46.120 ( 11.263 6.708 13.963) 19.152 ======================= Grid point 170 (77/294) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -24.034 -3.879 0.828) 24.359 3.588 ( -28.589 -27.260 8.311) 40.368 4.199 ( 13.098 0.561 2.020) 13.264 4.539 ( 0.081 11.779 -6.611) 13.508 4.761 ( -11.578 -4.475 5.122) 13.428 5.301 ( -24.113 -12.208 -15.443) 31.128 5.955 ( 11.969 -4.262 -0.563) 12.718 6.428 ( -19.289 -5.223 0.091) 19.984 6.706 ( -6.722 -3.317 6.691) 10.048 7.394 ( 12.934 15.119 2.193) 20.017 7.782 ( -11.627 -8.427 -7.601) 16.247 8.463 ( 5.223 -12.128 -6.861) 14.881 8.701 ( 10.994 8.378 -4.125) 14.425 9.154 ( -5.649 5.968 4.584) 9.410 10.182 ( 6.622 2.254 4.022) 8.069 10.612 ( 1.003 0.484 0.358) 1.170 10.648 ( -1.084 1.009 -2.362) 2.787 11.797 ( 16.959 7.990 12.739) 22.665 20.548 ( 3.438 0.270 -1.110) 3.623 20.766 ( 3.194 4.279 0.485) 5.362 20.891 ( 1.724 0.283 1.727) 2.457 21.050 ( -0.417 -0.181 -1.273) 1.352 24.792 ( -0.973 -0.532 -0.643) 1.282 24.885 ( 0.550 0.318 -0.073) 0.640 32.429 ( 0.427 -0.210 0.082) 0.483 32.558 ( 0.179 0.633 0.679) 0.945 42.993 ( -1.528 -4.469 -6.833) 8.306 43.728 ( -10.340 1.818 9.736) 14.318 44.157 ( -10.820 -10.606 -16.148) 22.144 46.433 ( 9.568 5.621 12.240) 16.521 ======================= Grid point 171 (78/294) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -28.142 -0.153 9.220) 29.615 2.799 ( -32.428 -32.314 10.093) 46.879 4.271 ( -7.869 -12.636 -0.019) 14.885 4.490 ( -31.640 -13.278 -5.610) 34.769 4.572 ( -7.031 -2.789 1.531) 7.717 4.784 ( 6.170 13.778 -9.798) 17.997 5.899 ( -13.711 -18.645 0.706) 23.154 6.101 ( -2.577 -0.837 4.140) 4.947 6.565 ( -8.272 0.225 0.666) 8.302 7.512 ( -2.515 3.042 -16.674) 17.135 7.890 ( 12.714 10.070 13.178) 20.898 8.373 ( 7.675 -9.546 -10.918) 16.408 8.918 ( 5.116 5.786 -2.844) 8.231 9.165 ( -0.668 3.659 3.038) 4.803 10.289 ( 0.596 0.582 3.983) 4.070 10.606 ( -2.275 2.671 -2.084) 4.080 10.652 ( 3.619 -1.214 -2.747) 4.702 12.319 ( 21.965 11.341 15.306) 29.074 20.622 ( 4.751 1.236 -0.890) 4.989 20.865 ( 2.497 4.282 0.680) 5.003 20.937 ( 1.899 0.988 1.024) 2.372 21.021 ( -0.901 -1.596 -1.826) 2.587 24.767 ( -0.947 -0.541 -0.279) 1.126 24.898 ( 0.545 0.316 -0.016) 0.631 32.446 ( 1.291 0.486 0.091) 1.382 32.560 ( -0.591 -0.034 0.234) 0.637 42.864 ( -3.496 -4.773 -7.131) 9.265 43.606 ( -11.028 1.190 9.627) 14.687 43.795 ( -9.743 -10.608 -11.970) 18.728 46.682 ( 7.435 4.395 6.040) 10.539 ======================= Grid point 172 (79/294) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -31.578 4.510 21.815) 38.645 1.950 ( -36.059 -30.235 11.970) 48.556 3.122 ( -59.182 -38.276 -8.832) 71.032 4.425 ( 4.089 -3.131 5.932) 7.856 4.474 ( -2.714 -0.542 0.504) 2.813 4.940 ( 2.420 9.604 -7.236) 12.266 5.554 ( -7.836 -11.143 0.294) 13.625 5.926 ( -16.279 -7.286 4.288) 18.344 6.554 ( 4.427 4.244 -2.148) 6.498 7.467 ( 2.549 1.276 -9.616) 10.030 8.050 ( -2.288 -0.388 1.639) 2.842 8.572 ( 19.295 3.240 -3.015) 19.796 8.978 ( -1.925 5.967 -2.658) 6.810 9.222 ( 2.048 1.666 0.747) 2.744 10.267 ( -3.039 -1.334 2.211) 3.988 10.578 ( -1.940 0.766 -0.842) 2.249 10.724 ( 5.248 0.922 -0.229) 5.333 12.868 ( 18.992 9.910 11.234) 24.189 20.722 ( 5.229 1.788 -0.432) 5.543 20.917 ( -1.202 1.951 -0.223) 2.302 20.979 ( 0.773 -1.317 0.091) 1.530 20.993 ( 1.531 1.511 -1.627) 2.698 24.752 ( -0.414 -0.274 2.002) 2.062 24.910 ( 0.463 0.269 0.226) 0.581 32.480 ( 1.663 0.842 -0.016) 1.865 32.543 ( -0.936 -0.396 -0.333) 1.070 42.718 ( -3.505 -4.265 -5.911) 8.088 43.481 ( -9.209 -0.049 7.504) 11.879 43.497 ( -7.576 -7.826 -7.926) 13.471 46.798 ( 2.282 1.608 -15.563) 15.812 ======================= Grid point 175 (80/294) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 13.317 34.863 14.835) 40.161 1.527 ( 26.408 26.631 36.037) 52.013 2.147 ( -27.566 45.143 42.052) 67.573 4.311 ( -7.699 -4.302 -8.608) 12.324 4.597 ( 4.594 5.320 4.541) 8.368 5.082 ( 4.639 -12.290 -3.326) 13.551 5.490 ( -9.749 7.652 2.815) 12.709 5.624 ( 6.986 5.141 7.868) 11.711 6.621 ( 0.889 -5.196 -4.369) 6.847 7.435 ( -2.983 -8.754 -4.790) 10.415 7.831 ( -0.923 11.524 -5.916) 12.987 8.795 ( -3.643 -10.839 -9.678) 14.981 8.922 ( 5.033 -0.463 -3.236) 6.001 9.177 ( 4.977 3.000 -10.134) 11.682 10.354 ( 0.710 -6.411 9.245) 11.273 10.578 ( -2.520 0.696 2.451) 3.584 10.909 ( 0.537 3.181 10.054) 10.559 13.175 ( -1.378 -4.807 -5.888) 7.725 20.817 ( -1.382 -4.144 -0.432) 4.389 20.869 ( 0.523 -0.241 -0.318) 0.658 20.978 ( 1.172 0.627 -0.129) 1.335 20.990 ( 0.126 0.197 -1.323) 1.344 24.936 ( -0.005 -0.680 1.499) 1.646 25.048 ( -0.031 -15.946 10.796) 19.256 32.504 ( -0.069 -0.735 -0.563) 0.928 32.519 ( 0.101 -0.635 -0.065) 0.647 42.575 ( -5.109 0.035 -2.154) 5.544 43.222 ( -0.269 3.027 -6.213) 6.916 43.421 ( 4.902 8.689 2.461) 10.276 44.606 ( 0.230 105.912 -74.287) 129.367 ======================= Grid point 176 (81/294) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 16.528 33.257 15.071) 40.079 1.995 ( -20.754 46.946 26.798) 57.904 2.962 ( 42.315 20.483 25.591) 53.526 4.115 ( -1.835 -3.403 -9.682) 10.426 4.731 ( 3.889 3.693 9.109) 10.570 5.152 ( 14.569 -3.681 -6.324) 16.303 5.296 ( -16.170 4.545 4.268) 17.330 5.964 ( 10.100 14.824 1.766) 18.024 6.554 ( -0.914 -2.971 -3.528) 4.702 7.390 ( 11.425 -11.701 -4.535) 16.971 7.783 ( -9.798 5.325 -9.544) 14.678 8.598 ( 1.156 -10.183 -7.158) 12.500 9.019 ( 3.832 1.475 2.082) 4.603 9.253 ( 2.996 5.537 -6.967) 9.390 10.348 ( 0.352 -5.001 5.849) 7.704 10.591 ( 0.856 2.526 1.355) 2.991 10.973 ( 0.526 -5.623 12.172) 13.418 12.783 ( -28.281 -8.794 -5.888) 30.196 20.770 ( 0.212 -4.577 0.086) 4.583 20.851 ( -1.493 -0.427 -1.002) 1.849 20.981 ( -0.357 -0.643 -0.389) 0.832 20.992 ( 0.397 -0.090 -1.397) 1.455 24.919 ( -2.408 -4.513 4.808) 7.020 24.944 ( -1.785 -3.140 3.869) 5.293 32.483 ( -0.738 -1.438 -0.467) 1.682 32.515 ( -0.039 0.492 -0.783) 0.926 42.679 ( 14.904 -2.226 -0.883) 15.095 43.190 ( -2.815 3.548 -6.343) 7.794 43.674 ( 10.667 12.527 3.915) 16.912 45.301 ( 18.064 51.413 -59.348) 80.572 ======================= Grid point 177 (82/294) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -9.726 31.702 32.491) 46.424 2.603 ( 17.879 43.789 0.761) 47.304 3.712 ( 21.261 1.138 -0.753) 21.304 4.172 ( 12.648 0.358 0.533) 12.664 4.837 ( -4.999 -7.824 -5.121) 10.603 5.226 ( 3.801 18.361 19.720) 27.211 5.417 ( 22.410 -2.251 -7.180) 23.639 6.230 ( 5.306 11.333 -2.841) 12.832 6.494 ( -4.895 2.557 -1.042) 5.620 7.439 ( -1.365 -9.463 -12.680) 15.881 7.636 ( 6.183 2.817 -1.413) 6.940 8.559 ( 6.848 -8.772 -1.324) 11.207 9.084 ( 0.738 -2.536 7.321) 7.783 9.303 ( -3.171 9.298 -2.150) 10.056 10.311 ( -2.463 -3.695 1.262) 4.617 10.647 ( 0.569 4.065 0.534) 4.139 10.950 ( -1.508 -9.190 12.330) 15.452 12.092 ( -32.359 -11.384 -7.552) 35.124 20.723 ( -2.269 -1.825 1.059) 3.098 20.796 ( -1.571 -3.645 -1.573) 4.269 20.938 ( -2.732 -1.219 -1.043) 3.169 21.006 ( 1.813 -0.054 -1.140) 2.142 24.864 ( -1.789 -2.547 3.921) 5.005 24.922 ( -0.872 -1.010 1.060) 1.704 32.452 ( -0.891 -1.084 -0.275) 1.430 32.517 ( 0.010 0.783 -1.353) 1.564 42.960 ( 18.859 -2.346 2.048) 19.115 43.148 ( -2.184 4.378 -7.466) 8.927 44.066 ( 15.398 13.935 6.657) 21.808 45.595 ( 6.241 22.760 -42.742) 48.825 ======================= Grid point 178 (83/294) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -2.099 27.745 26.257) 38.257 3.315 ( 17.457 36.996 -2.640) 40.993 3.980 ( 12.690 3.346 -7.754) 15.243 4.378 ( 6.402 -2.123 2.727) 7.275 4.509 ( -6.108 -8.748 -6.047) 12.264 5.701 ( 17.201 8.495 4.223) 19.644 5.823 ( 26.159 -3.496 4.522) 26.776 6.335 ( 3.178 3.181 -10.436) 11.363 6.406 ( -12.439 6.392 5.868) 15.166 7.149 ( -9.239 -2.913 -14.781) 17.672 7.947 ( 19.419 1.644 3.130) 19.738 8.612 ( 5.313 -4.982 4.731) 8.685 9.041 ( -4.415 -6.911 5.581) 9.920 9.304 ( -8.643 9.558 5.553) 14.032 10.181 ( -8.567 -1.550 -4.080) 9.614 10.682 ( -2.106 4.609 0.572) 5.100 10.872 ( -4.714 -8.509 11.211) 14.843 11.484 ( -16.625 -11.746 -7.410) 21.662 20.662 ( -4.706 0.379 0.879) 4.802 20.728 ( -0.323 -4.690 -0.804) 4.769 20.866 ( -3.000 -1.046 -1.511) 3.518 21.028 ( 1.740 -1.057 -0.917) 2.233 24.843 ( -0.592 -0.995 2.089) 2.389 24.901 ( -0.895 -0.897 0.424) 1.336 32.435 ( -0.235 -0.038 -0.011) 0.238 32.514 ( -0.292 0.448 -1.469) 1.563 43.123 ( -1.467 4.613 -7.299) 8.758 43.282 ( 18.086 -1.451 3.567) 18.491 44.524 ( 16.415 12.847 8.691) 22.584 45.589 ( -1.432 9.614 -31.553) 33.016 ======================= Grid point 179 (84/294) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( -1.186 22.221 18.773) 29.114 3.818 ( -4.044 -2.282 3.422) 5.768 3.966 ( 3.379 28.903 -14.326) 32.435 4.454 ( 12.131 0.033 -4.481) 12.932 4.706 ( 19.709 2.162 3.674) 20.165 5.969 ( 5.102 -16.455 -4.612) 17.834 6.074 ( 13.624 0.558 -3.375) 14.047 6.191 ( -9.812 -2.637 -2.500) 10.463 6.446 ( 3.707 9.106 1.540) 9.952 7.026 ( 2.289 2.436 -5.798) 6.692 8.183 ( 0.236 -0.764 -1.630) 1.815 8.659 ( -3.486 2.881 12.229) 13.039 8.943 ( 3.857 -7.748 3.382) 9.292 9.251 ( -9.920 4.077 8.116) 13.450 9.999 ( -7.201 1.346 -5.249) 9.012 10.650 ( -8.084 3.654 2.132) 9.124 10.766 ( -2.328 -5.230 5.237) 7.759 11.228 ( 0.586 -9.979 -3.211) 10.499 20.587 ( -4.116 0.135 0.055) 4.119 20.678 ( -1.259 -2.451 0.040) 2.756 20.816 ( -0.674 -0.659 -1.226) 1.546 21.035 ( 1.304 -1.781 -0.534) 2.270 24.840 ( -0.090 -0.335 0.989) 1.048 24.880 ( -0.707 -0.706 0.012) 0.999 32.444 ( 0.521 1.052 0.313) 1.215 32.500 ( -0.568 -0.072 -1.192) 1.322 43.108 ( -1.041 4.252 -7.389) 8.588 43.577 ( 14.017 -0.578 5.404) 15.033 44.915 ( 8.636 9.034 1.997) 12.656 45.485 ( 0.978 3.536 -16.966) 17.358 ======================= Grid point 180 (85/294) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( -11.809 8.274 6.732) 15.913 3.636 ( -6.686 10.466 3.329) 12.858 4.355 ( 8.706 14.660 -6.000) 18.075 4.599 ( 8.769 -5.317 -2.857) 10.645 5.056 ( 12.897 0.560 0.472) 12.917 5.649 ( -13.277 -11.727 1.485) 17.777 6.024 ( -2.818 -3.414 -11.835) 12.635 6.289 ( 15.132 -2.583 -15.163) 21.577 6.633 ( 4.458 9.720 6.225) 12.373 7.139 ( 6.184 1.018 4.974) 8.001 7.995 ( -13.473 3.295 0.930) 13.901 8.674 ( -7.721 3.157 12.380) 14.928 9.031 ( -0.308 -1.287 -0.650) 1.474 9.129 ( 0.513 -7.373 4.912) 8.874 9.918 ( -1.969 0.297 -2.383) 3.105 10.553 ( -5.579 2.185 2.835) 6.629 10.738 ( -1.050 -0.524 2.309) 2.590 11.203 ( 6.191 -6.635 -0.336) 9.081 20.530 ( -2.631 0.381 -0.383) 2.686 20.647 ( -0.414 0.051 0.078) 0.425 20.810 ( 1.027 -1.017 -0.251) 1.467 21.037 ( 1.194 -1.678 -0.238) 2.073 24.838 ( -0.324 -0.189 0.188) 0.419 24.866 ( -0.144 -0.371 -0.057) 0.402 32.459 ( -0.730 0.550 -0.224) 0.941 32.496 ( 0.968 0.680 0.090) 1.186 43.089 ( -1.328 3.486 -6.928) 7.868 43.799 ( 8.036 0.190 6.595) 10.397 44.884 ( -9.122 -0.306 -17.132) 19.412 45.661 ( 14.288 5.121 6.598) 16.550 ======================= Grid point 181 (86/294) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( -20.862 1.482 2.112) 21.021 3.825 ( 4.409 19.537 3.355) 20.308 4.402 ( -11.001 -11.410 11.350) 19.494 4.521 ( 0.602 -11.369 -13.052) 17.320 5.061 ( -4.710 -5.631 -0.952) 7.403 5.593 ( 8.987 3.916 -2.795) 10.194 5.840 ( -8.679 -1.857 -10.994) 14.129 6.433 ( 10.779 4.283 -16.777) 20.396 6.785 ( 0.467 3.262 5.927) 6.781 7.258 ( 1.578 1.018 9.949) 10.125 7.991 ( 6.219 3.857 6.226) 9.608 8.532 ( -20.971 0.126 7.347) 22.221 8.762 ( -10.408 -4.659 -10.233) 15.322 9.263 ( 5.985 0.827 5.867) 8.422 9.908 ( 5.040 -3.445 0.956) 6.179 10.556 ( 0.152 3.046 2.954) 4.245 10.729 ( -1.955 1.969 0.687) 2.858 11.296 ( 10.889 -5.265 2.778) 12.410 20.502 ( -0.850 1.088 -0.971) 1.687 20.673 ( 1.762 2.390 0.373) 2.993 20.824 ( 1.925 -1.535 0.848) 2.604 21.039 ( 1.038 -1.632 -0.400) 1.975 24.825 ( -0.822 -0.328 -0.316) 0.940 24.867 ( 0.423 0.019 0.006) 0.423 32.440 ( -1.008 -0.186 -0.263) 1.058 32.533 ( 1.284 1.319 0.649) 1.952 43.054 ( -2.292 2.603 -6.503) 7.370 43.923 ( 1.354 0.895 7.286) 7.465 44.557 ( -12.980 -5.454 -17.680) 22.601 46.014 ( 14.685 4.307 9.598) 18.065 ======================= Grid point 182 (87/294) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( -22.813 3.512 6.055) 23.862 3.855 ( -27.356 -27.541 11.631) 40.524 4.095 ( 4.726 10.543 0.409) 11.562 4.518 ( 8.053 4.708 -8.285) 12.477 4.888 ( -8.788 -5.685 -0.262) 10.470 5.514 ( -14.833 -3.550 -14.259) 20.879 5.786 ( 3.872 2.195 -0.120) 4.453 6.531 ( 1.547 0.742 -10.786) 10.921 6.804 ( -2.818 0.089 5.416) 6.106 7.375 ( 5.631 5.336 10.702) 13.218 7.974 ( -23.549 -9.144 -4.734) 25.702 8.227 ( 6.143 -4.396 -1.148) 7.641 8.644 ( -0.017 4.511 -3.264) 5.568 9.337 ( -3.993 5.447 4.231) 7.969 10.078 ( 11.930 2.445 3.975) 12.811 10.599 ( 0.467 0.143 1.480) 1.559 10.715 ( -2.993 4.542 -1.557) 5.658 11.527 ( 19.932 -5.745 7.884) 22.191 20.516 ( 1.177 2.323 -1.347) 2.931 20.752 ( 3.268 3.595 0.607) 4.896 20.856 ( 2.696 -1.327 1.509) 3.362 21.030 ( 0.496 -2.396 -0.885) 2.602 24.803 ( -1.034 -0.351 -0.356) 1.148 24.877 ( 0.585 0.162 -0.017) 0.607 32.426 ( -0.275 -0.032 -0.024) 0.278 32.564 ( 0.530 0.846 0.455) 1.097 42.990 ( -3.911 1.998 -6.367) 7.735 43.941 ( -4.461 0.994 6.445) 7.901 44.173 ( -13.686 -7.590 -13.252) 20.507 46.334 ( 12.812 2.812 6.944) 14.842 ======================= Grid point 183 (88/294) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -24.329 4.609 13.922) 28.408 3.126 ( -32.758 -25.760 14.598) 44.156 4.197 ( 2.512 0.846 -2.583) 3.701 4.625 ( -12.346 -7.689 -6.408) 15.893 4.740 ( 7.599 7.959 -8.564) 13.944 5.062 ( -28.628 4.285 -4.749) 29.333 5.774 ( -0.579 -12.585 -1.471) 12.684 6.341 ( -14.755 0.479 1.439) 14.833 6.712 ( -8.030 -5.054 4.661) 10.571 7.547 ( -10.297 -1.759 -12.342) 16.169 7.745 ( 20.425 12.309 3.546) 24.109 8.191 ( -1.566 -6.870 -2.915) 7.626 8.774 ( 9.193 1.057 1.315) 9.347 9.316 ( -5.404 4.473 3.315) 7.759 10.299 ( 4.602 3.836 4.456) 7.467 10.587 ( 0.231 -1.890 -0.298) 1.927 10.702 ( -3.621 6.695 -3.784) 8.500 11.964 ( 29.733 -4.536 10.548) 31.873 20.575 ( 2.969 3.674 -1.247) 4.885 20.850 ( 3.632 2.548 0.538) 4.469 20.903 ( 2.880 -0.501 1.169) 3.149 20.999 ( -0.232 -2.859 -1.203) 3.111 24.780 ( -1.042 -0.267 0.129) 1.084 24.890 ( 0.639 0.182 0.062) 0.668 32.431 ( 0.764 0.274 0.032) 0.812 32.571 ( -0.400 0.171 -0.045) 0.437 42.892 ( -5.863 2.141 -6.257) 8.838 43.785 ( -8.671 -10.359 -12.931) 18.700 43.891 ( -12.550 3.703 9.997) 16.467 46.573 ( 10.053 0.924 -0.321) 10.100 ======================= Grid point 184 (89/294) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -25.184 -6.141 22.468) 34.304 2.406 ( -37.268 -12.519 19.291) 43.792 3.826 ( -48.985 -7.740 -20.766) 53.765 4.307 ( 0.918 -4.479 -4.766) 6.605 4.622 ( -11.534 1.854 7.396) 13.826 4.995 ( 2.073 8.233 1.092) 8.560 5.536 ( -6.471 -11.301 -5.085) 13.980 6.191 ( -12.326 2.017 6.019) 13.865 6.552 ( -3.407 -2.447 1.243) 4.375 7.418 ( -0.869 4.587 -10.489) 11.481 8.051 ( 0.989 -8.974 -7.871) 11.978 8.275 ( 18.488 14.182 3.573) 23.573 8.926 ( 6.670 -1.864 2.700) 7.433 9.297 ( -3.135 3.715 3.212) 5.826 10.323 ( -3.141 -1.364 1.377) 3.691 10.609 ( 0.446 -0.968 3.945) 4.087 10.699 ( 0.013 6.816 -3.429) 7.630 12.493 ( 30.136 -6.336 5.553) 31.292 20.672 ( 4.000 4.248 -0.869) 5.899 20.897 ( 1.779 -4.106 -0.971) 4.579 20.954 ( 1.849 1.266 0.290) 2.259 20.981 ( 0.854 1.008 -0.131) 1.328 24.769 ( -0.445 0.001 1.902) 1.953 24.904 ( 0.648 0.132 0.322) 0.736 32.456 ( 1.620 0.366 -0.069) 1.663 32.556 ( -1.013 -0.235 -0.636) 1.219 42.775 ( -7.032 3.729 -5.115) 9.461 43.487 ( -7.094 -8.411 -8.960) 14.189 43.757 ( -13.499 3.865 8.603) 16.467 46.656 ( 3.606 -2.276 -17.888) 18.389 ======================= Grid point 187 (90/294) ======================= q-point: ( 0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 3.243 41.991 7.954) 42.861 1.656 ( 0.046 16.436 36.028) 39.600 3.466 ( -38.275 43.963 27.669) 64.524 4.298 ( 3.320 -0.235 -10.116) 10.650 4.565 ( -0.268 0.052 6.337) 6.343 4.965 ( -6.296 -10.017 -1.579) 11.936 5.589 ( 4.955 18.351 -6.395) 20.055 5.875 ( -12.378 9.148 11.658) 19.309 6.495 ( 2.369 -7.675 -4.708) 9.311 7.362 ( -3.507 -13.818 -11.548) 18.347 7.933 ( -1.857 10.433 -4.632) 11.565 8.660 ( 1.933 -6.459 -3.497) 7.595 8.895 ( -6.717 -6.075 -2.840) 9.492 9.112 ( 2.753 4.294 -4.917) 7.085 10.338 ( 0.738 -4.154 6.284) 7.569 10.624 ( -0.237 0.051 2.981) 2.991 10.975 ( -2.242 -3.729 9.753) 10.680 12.831 ( 27.103 -7.243 -5.683) 28.624 20.814 ( 4.461 -0.512 0.050) 4.491 20.842 ( -6.087 -4.151 -1.162) 7.458 20.958 ( 1.619 -1.102 -1.102) 2.247 20.965 ( 1.523 -0.562 -0.500) 1.698 24.921 ( 2.260 -4.258 4.648) 6.696 24.943 ( 1.878 -3.303 3.996) 5.514 32.486 ( 0.795 -1.358 -0.395) 1.623 32.511 ( -0.016 0.376 -0.880) 0.957 42.820 ( -18.186 -0.955 2.358) 18.363 43.213 ( 1.852 5.950 -8.057) 10.186 43.538 ( -7.012 10.140 2.159) 12.516 45.282 ( -17.640 50.461 -59.054) 79.655 ======================= Grid point 188 (91/294) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 10.090 37.866 12.340) 41.084 2.397 ( 29.664 25.359 28.713) 48.451 3.394 ( -33.231 40.320 26.129) 58.418 4.128 ( -7.737 -1.179 -14.964) 16.887 4.717 ( 7.145 0.373 4.237) 8.316 4.841 ( 5.749 -8.468 -1.315) 10.319 5.718 ( -14.376 12.046 5.394) 19.515 5.947 ( 6.928 18.149 -2.731) 19.617 6.453 ( 4.607 -5.070 -2.867) 7.426 7.150 ( 0.970 -10.172 -7.238) 12.522 7.923 ( -4.076 5.268 -6.446) 9.269 8.499 ( -6.461 -9.546 -6.698) 13.332 8.910 ( 9.065 0.786 0.120) 9.100 9.187 ( 3.763 3.701 -3.002) 6.072 10.337 ( -0.290 -2.033 3.205) 3.807 10.614 ( -0.916 -0.130 2.802) 2.951 10.959 ( 0.232 -8.682 12.283) 15.043 12.949 ( -2.051 -11.380 -5.957) 13.008 20.716 ( -1.859 -5.429 0.012) 5.739 20.865 ( 1.356 0.791 -1.724) 2.332 20.951 ( 1.167 -2.856 -0.617) 3.147 20.981 ( 0.061 -0.024 -0.218) 0.228 24.915 ( -0.104 -5.082 4.416) 6.733 24.943 ( 0.027 -2.800 2.777) 3.944 32.473 ( -0.196 -1.535 -0.441) 1.609 32.514 ( 0.258 0.490 -0.847) 1.012 42.581 ( -5.345 3.074 -2.663) 6.716 43.250 ( -1.461 6.727 -7.052) 9.854 43.654 ( 5.425 11.178 3.193) 12.829 45.412 ( 0.953 47.977 -46.649) 66.924 ======================= Grid point 189 (92/294) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 12.251 32.402 14.804) 37.672 3.092 ( -0.057 30.607 21.894) 37.632 3.473 ( -0.821 16.090 7.248) 17.666 4.045 ( 3.661 7.361 -5.747) 10.031 4.780 ( 1.342 -5.491 -1.357) 5.814 4.955 ( 16.757 -6.556 -4.471) 18.541 5.617 ( -12.864 15.576 8.897) 22.074 6.167 ( 6.557 5.154 -10.563) 13.458 6.568 ( 5.177 9.590 -0.307) 10.902 7.144 ( 8.994 -5.700 -1.327) 10.730 7.795 ( -12.331 5.217 -6.502) 14.885 8.357 ( 5.309 -8.373 -1.688) 10.057 9.047 ( 4.586 -2.647 4.119) 6.709 9.298 ( 6.323 4.113 -2.813) 8.051 10.316 ( -1.578 -0.879 0.093) 1.808 10.647 ( 2.498 1.128 1.530) 3.139 10.918 ( -0.282 -12.044 11.958) 16.975 12.516 ( -27.563 -12.422 -4.731) 30.601 20.663 ( 1.641 -5.742 0.343) 5.982 20.847 ( -3.440 1.053 -1.757) 4.004 20.939 ( 0.840 -2.866 -0.943) 3.132 20.970 ( -0.064 -0.756 -0.342) 0.832 24.878 ( -1.072 -3.630 3.665) 5.268 24.928 ( -0.525 -1.575 1.226) 2.064 32.450 ( -0.492 -1.288 -0.290) 1.409 32.519 ( 0.112 0.866 -1.202) 1.486 42.667 ( 11.615 2.175 -1.660) 11.933 43.229 ( -4.109 7.023 -6.522) 10.428 43.961 ( 13.754 11.804 3.878) 18.535 45.614 ( 0.375 30.265 -36.016) 47.046 ======================= Grid point 190 (93/294) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( -3.365 27.140 25.732) 37.550 3.490 ( 4.280 32.127 7.821) 33.341 3.700 ( 15.094 10.410 -8.935) 20.397 4.216 ( 6.959 2.051 3.399) 8.011 4.589 ( -8.608 -9.425 -7.851) 14.986 5.240 ( 22.725 -4.818 -6.345) 24.081 5.736 ( 3.344 9.672 7.850) 12.898 6.227 ( 6.449 1.340 -9.800) 11.808 6.699 ( -5.902 11.921 3.034) 13.643 7.140 ( -4.370 -5.614 -11.046) 13.139 7.757 ( 7.219 7.432 3.621) 10.976 8.465 ( 9.980 -1.421 4.948) 11.229 9.056 ( -1.044 -6.247 6.090) 8.786 9.420 ( 3.501 3.294 -1.530) 5.044 10.253 ( -4.437 -0.568 -3.463) 5.657 10.711 ( 1.987 1.672 -0.879) 2.742 10.858 ( 1.015 -11.904 11.505) 16.586 11.822 ( -33.716 -10.751 -2.441) 35.473 20.648 ( 2.451 -5.156 0.398) 5.723 20.767 ( -5.519 0.948 -1.020) 5.692 20.891 ( -2.225 -2.333 -1.295) 3.474 20.975 ( 1.753 -1.584 -0.668) 2.455 24.852 ( -0.637 -1.788 2.239) 2.935 24.907 ( -0.738 -1.308 0.527) 1.591 32.434 ( -0.055 -0.451 -0.031) 0.455 32.520 ( -0.306 0.939 -1.413) 1.723 42.949 ( 18.403 0.649 0.040) 18.415 43.197 ( -3.690 7.379 -6.346) 10.409 44.376 ( 17.760 10.103 5.941) 21.279 45.635 ( -5.514 17.167 -27.674) 33.029 ======================= Grid point 191 (94/294) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.393 ( -9.154 25.804 22.677) 35.551 3.821 ( 6.879 1.084 6.679) 9.648 4.082 ( 6.558 27.309 -16.662) 32.656 4.372 ( 2.695 0.656 3.120) 4.175 4.415 ( 11.110 2.016 0.604) 11.308 5.502 ( 19.865 -10.348 -10.121) 24.579 5.839 ( 5.769 -2.927 -9.037) 11.114 6.411 ( 7.690 5.178 5.587) 10.824 6.548 ( -17.837 1.590 3.673) 18.281 6.979 ( -1.072 4.081 -13.349) 14.000 8.065 ( 13.889 4.190 3.870) 15.015 8.663 ( 6.735 0.182 10.629) 12.585 8.961 ( -6.270 -4.363 4.548) 8.890 9.439 ( -3.474 0.214 -0.012) 3.480 10.112 ( -7.686 -0.501 -4.643) 8.993 10.729 ( 1.009 -1.055 -0.682) 1.611 10.843 ( -0.925 -4.488 8.104) 9.310 11.225 ( -20.004 -9.464 0.350) 22.133 20.636 ( 0.549 -3.497 -0.414) 3.563 20.685 ( -4.221 0.931 0.231) 4.329 20.822 ( -2.040 -1.844 -1.360) 3.067 20.982 ( 1.682 -2.288 -0.520) 2.887 24.842 ( -0.129 -0.753 1.189) 1.414 24.884 ( -0.717 -0.991 0.060) 1.224 32.442 ( 0.820 0.563 0.311) 1.042 32.511 ( -0.877 0.710 -1.317) 1.734 43.164 ( -2.222 7.639 -7.145) 10.693 43.301 ( 17.911 -0.176 2.735) 18.120 44.801 ( 16.293 6.610 5.871) 18.537 45.508 ( -7.934 9.032 -19.957) 23.298 ======================= Grid point 192 (95/294) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( -15.571 9.250 6.248) 19.159 3.884 ( -4.310 10.322 13.608) 17.615 4.261 ( 4.966 5.438 -11.241) 13.439 4.526 ( 5.376 10.842 3.779) 12.678 4.789 ( 17.950 0.742 1.368) 18.018 5.546 ( 6.276 -14.295 -12.830) 20.208 5.932 ( 13.924 1.000 -11.975) 18.392 6.176 ( -16.919 4.075 -1.899) 17.506 6.693 ( 5.286 7.298 6.266) 10.976 7.022 ( 6.606 3.228 -4.055) 8.396 8.234 ( -3.667 3.083 3.176) 5.748 8.771 ( 9.225 -8.795 7.275) 14.676 8.881 ( -4.774 2.495 6.838) 8.704 9.285 ( -11.755 -4.356 -1.101) 12.584 9.978 ( -5.359 -0.629 -1.436) 5.583 10.718 ( -4.013 -2.473 2.679) 5.422 10.765 ( -5.791 4.504 0.814) 7.381 11.017 ( 3.956 -9.694 2.449) 10.753 20.589 ( -3.129 0.406 -0.918) 3.286 20.651 ( -0.476 -0.571 0.549) 0.924 20.782 ( 0.083 -1.727 -0.697) 1.864 20.986 ( 1.764 -2.487 -0.186) 3.055 24.841 ( -0.037 -0.226 0.458) 0.512 24.865 ( -0.431 -0.667 -0.116) 0.802 32.473 ( 0.996 1.272 0.420) 1.669 32.493 ( -0.812 0.347 -0.805) 1.195 43.153 ( -3.419 7.697 -6.232) 10.477 43.611 ( 15.563 -0.672 3.321) 15.928 44.974 ( -5.368 1.835 -8.044) 9.843 45.495 ( 9.818 4.916 -1.050) 11.030 ======================= Grid point 193 (96/294) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( -19.723 2.308 3.285) 20.127 4.042 ( -2.117 18.193 8.294) 20.106 4.275 ( 3.227 -5.845 -7.530) 10.064 4.579 ( -9.391 -8.864 10.115) 16.403 4.977 ( 8.110 -6.218 -1.840) 10.384 5.435 ( 4.603 -1.349 -13.940) 14.742 5.995 ( -8.494 6.772 -3.198) 11.324 6.199 ( 11.947 10.770 -12.865) 20.597 6.840 ( 1.848 5.415 2.372) 6.194 7.188 ( 9.281 0.116 3.276) 9.843 8.117 ( -10.171 2.705 6.628) 12.438 8.827 ( -4.796 -2.001 1.617) 5.443 8.934 ( -20.444 -7.014 -3.298) 21.864 9.029 ( 19.563 -0.997 8.243) 21.252 9.867 ( -4.099 -4.576 1.028) 6.229 10.637 ( -4.263 1.952 3.376) 5.778 10.775 ( -0.343 3.590 -0.953) 3.730 11.061 ( 8.584 -8.184 1.980) 12.024 20.543 ( -2.487 1.657 -1.090) 3.181 20.665 ( 1.558 1.241 0.525) 2.060 20.777 ( 1.526 -2.014 0.233) 2.538 20.990 ( 1.665 -2.731 -0.153) 3.202 24.834 ( -0.694 -0.181 -0.140) 0.731 24.860 ( 0.356 -0.212 0.037) 0.416 32.462 ( -1.576 0.423 -0.488) 1.704 32.522 ( 1.743 1.003 0.557) 2.087 43.133 ( -4.290 7.429 -5.190) 10.027 43.840 ( 9.910 -1.371 2.044) 10.211 44.709 ( -15.733 -0.988 -10.014) 18.676 45.805 ( 16.907 1.999 4.923) 17.723 ======================= Grid point 194 (97/294) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( -19.927 1.443 7.926) 21.494 4.044 ( -14.773 -17.573 4.076) 23.317 4.255 ( -5.879 9.393 1.692) 11.209 4.356 ( 4.161 -0.711 1.639) 4.528 4.953 ( -3.395 -3.671 -3.139) 5.904 5.497 ( 4.914 0.782 -10.604) 11.713 5.898 ( -8.973 8.439 -4.321) 13.054 6.410 ( 7.778 8.431 -9.942) 15.180 6.864 ( -2.688 0.064 0.093) 2.691 7.344 ( 6.378 -1.680 6.748) 9.436 8.096 ( 0.295 -1.121 10.085) 10.152 8.388 ( -26.344 -5.493 -13.005) 29.888 8.740 ( -6.609 0.269 4.204) 7.838 9.390 ( 8.637 4.114 5.202) 10.890 9.864 ( 12.121 -1.982 3.690) 12.824 10.622 ( -1.700 0.461 2.228) 2.840 10.800 ( -1.452 5.826 -1.927) 6.306 11.163 ( 13.519 -11.039 3.192) 17.743 20.532 ( -0.538 3.016 -1.273) 3.317 20.729 ( 3.057 1.898 0.759) 3.677 20.797 ( 2.744 -1.523 0.674) 3.210 20.983 ( 1.092 -3.273 -0.328) 3.466 24.817 ( -0.973 -0.144 -0.175) 0.999 24.868 ( 0.605 0.026 0.009) 0.605 32.440 ( -1.169 0.381 -0.167) 1.241 32.558 ( 1.178 0.465 0.267) 1.294 43.096 ( -5.730 7.373 -4.228) 10.250 43.919 ( 2.320 -4.945 -5.040) 7.432 44.388 ( -16.080 0.781 -0.032) 16.099 46.121 ( 15.809 -0.225 2.166) 15.958 ======================= Grid point 195 (98/294) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( -20.582 -4.455 15.551) 26.178 3.541 ( -25.437 -11.125 10.928) 29.836 4.227 ( -3.612 5.354 -0.806) 6.509 4.558 ( 12.326 1.112 -5.445) 13.521 4.753 ( -12.411 -3.035 -7.372) 14.751 5.447 ( -10.408 7.417 -3.926) 13.370 5.779 ( -8.616 0.626 -3.845) 9.456 6.496 ( -1.274 3.976 -5.181) 6.653 6.771 ( -4.673 -6.781 -0.238) 8.238 7.460 ( 7.891 -7.850 4.381) 11.962 7.864 ( -19.755 6.924 -5.489) 21.641 8.179 ( 1.055 2.174 0.875) 2.570 8.708 ( 0.979 0.336 4.560) 4.676 9.428 ( -3.109 -1.659 4.311) 5.568 10.204 ( 14.587 4.282 2.637) 15.429 10.591 ( -2.013 -0.735 0.524) 2.206 10.810 ( -3.179 6.025 -3.121) 7.493 11.403 ( 26.565 -11.903 4.897) 29.519 20.572 ( 1.540 4.327 -1.160) 4.738 20.789 ( 3.262 -2.662 0.798) 4.285 20.856 ( 3.609 1.541 -0.166) 3.928 20.965 ( 0.656 -2.311 0.057) 2.403 24.798 ( -1.019 -0.007 0.223) 1.043 24.880 ( 0.689 0.070 0.049) 0.694 32.430 ( -0.298 0.411 -0.034) 0.509 32.572 ( 0.273 -0.237 -0.291) 0.464 43.037 ( -7.510 7.810 -3.249) 11.312 43.748 ( -6.200 -9.338 -12.597) 16.862 44.212 ( -12.715 5.423 10.837) 17.565 46.354 ( 12.776 -2.368 -4.570) 13.774 ======================= Grid point 196 (99/294) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -23.934 -18.507 22.814) 37.892 3.108 ( -31.837 7.483 13.122) 35.238 4.202 ( -6.888 6.511 -11.040) 14.550 4.355 ( -17.724 -4.207 -12.546) 22.119 4.733 ( 9.936 -2.987 -2.317) 10.631 5.222 ( -23.480 2.285 11.361) 26.185 5.609 ( -9.350 7.612 -8.308) 14.642 6.437 ( -8.298 5.756 -0.532) 10.113 6.576 ( -5.283 -12.266 3.433) 13.789 7.458 ( 0.653 1.562 -4.161) 4.492 7.807 ( 3.566 -1.774 -6.475) 7.603 8.282 ( 4.286 13.142 2.538) 14.055 8.818 ( 6.806 -0.669 7.244) 9.962 9.373 ( -2.587 -3.624 4.852) 6.585 10.338 ( 0.393 -2.451 -0.464) 2.525 10.604 ( 2.194 1.399 4.294) 5.021 10.773 ( -3.498 2.487 -3.091) 5.289 11.848 ( 32.924 -10.441 -0.636) 34.546 20.651 ( 2.823 3.930 -0.646) 4.882 20.798 ( 3.024 -5.406 -0.725) 6.237 20.919 ( 2.726 -0.257 -0.417) 2.769 20.982 ( 1.196 2.139 0.623) 2.528 24.787 ( -0.613 0.197 1.314) 1.464 24.894 ( 0.758 0.011 0.251) 0.798 32.437 ( 0.720 0.241 -0.094) 0.765 32.562 ( -0.500 -0.561 -0.898) 1.171 42.964 ( -8.745 8.805 -1.343) 12.482 43.479 ( -6.818 -7.056 -10.706) 14.522 44.101 ( -14.304 5.986 11.131) 19.087 46.439 ( 6.699 -4.782 -17.076) 18.956 ======================= Grid point 199 (100/294) ======================= q-point: ( 0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -9.249 36.649 5.880) 38.253 2.147 ( -19.209 13.355 23.677) 33.286 4.064 ( 3.686 5.633 -3.011) 7.374 4.386 ( -7.819 8.084 0.546) 11.260 4.888 ( -3.841 -1.953 -2.690) 5.080 4.988 ( -21.921 13.289 14.833) 29.617 5.705 ( -7.736 11.166 -5.972) 14.839 6.252 ( -7.205 19.401 10.193) 23.069 6.374 ( 0.271 -6.218 -4.286) 7.557 7.170 ( 0.963 -11.953 -16.021) 20.012 8.067 ( -5.424 8.192 -3.302) 10.365 8.547 ( 1.554 -13.619 4.690) 14.487 8.973 ( -7.481 -1.922 -1.400) 7.849 9.112 ( 1.118 4.561 0.970) 4.795 10.278 ( 4.843 -5.229 3.847) 8.099 10.612 ( 1.629 -1.678 1.137) 2.600 11.030 ( -2.096 -2.679 8.852) 9.483 12.158 ( 34.008 -9.330 -6.426) 35.846 20.728 ( 4.775 -0.584 0.905) 4.895 20.886 ( 0.636 -4.230 -1.755) 4.623 20.901 ( -0.052 -2.420 -1.647) 2.927 20.927 ( -0.995 -0.345 -0.318) 1.100 24.867 ( 1.835 -2.413 3.926) 4.960 24.922 ( 0.845 -1.006 1.035) 1.672 32.453 ( 1.196 -1.065 -0.167) 1.611 32.516 ( -0.388 0.748 -1.497) 1.717 43.089 ( -6.275 0.342 5.723) 8.500 43.255 ( -7.189 9.024 -9.315) 14.828 43.865 ( -17.462 7.750 4.554) 19.640 45.573 ( -7.142 22.091 -42.347) 48.294 ======================= Grid point 200 (101/294) ======================= q-point: ( 0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 1.241 36.613 13.809) 39.150 2.406 ( 13.468 27.256 24.851) 39.266 4.083 ( -0.289 -5.905 -16.538) 17.563 4.308 ( -12.374 12.712 8.926) 19.859 4.775 ( -21.627 13.820 11.995) 28.330 4.822 ( -2.093 -1.398 3.148) 4.030 5.767 ( 7.301 6.789 -16.131) 18.964 6.206 ( -8.290 0.866 -4.712) 9.575 6.440 ( -4.362 17.121 12.734) 21.779 7.029 ( 0.990 -3.840 -6.165) 7.330 7.946 ( -1.682 -2.309 -8.973) 9.416 8.532 ( -4.703 -4.205 -0.555) 6.333 8.827 ( -1.296 -1.227 3.351) 3.796 9.180 ( 1.235 4.436 -0.106) 4.606 10.321 ( 2.305 -1.714 1.751) 3.364 10.621 ( 0.955 -3.592 2.887) 4.706 10.951 ( -3.838 -7.668 8.693) 12.210 12.580 ( 24.677 -12.306 -4.893) 28.006 20.734 ( -5.774 -5.347 -0.012) 7.870 20.808 ( 3.859 0.419 -1.984) 4.360 20.887 ( 1.998 -3.925 -0.013) 4.405 20.968 ( 1.818 0.304 -0.607) 1.941 24.881 ( 0.930 -3.613 3.657) 5.224 24.928 ( 0.537 -1.541 1.197) 2.024 32.455 ( 0.446 -1.168 -0.237) 1.272 32.512 ( -0.031 0.736 -1.274) 1.472 42.827 ( -18.690 1.295 -0.927) 18.758 43.280 ( 2.018 9.129 -8.225) 12.453 43.790 ( -5.924 10.754 4.797) 13.181 45.587 ( 0.432 30.221 -35.947) 46.965 ======================= Grid point 201 (102/294) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 7.727 31.250 11.666) 34.240 3.043 ( 16.777 10.802 15.905) 25.517 3.931 ( -2.111 6.393 -7.117) 9.797 4.271 ( -13.255 14.350 8.149) 21.167 4.670 ( -4.879 3.310 0.266) 5.902 4.814 ( -2.331 2.324 3.002) 4.454 5.839 ( 5.706 0.199 -11.911) 13.209 6.053 ( -3.125 -2.002 -10.765) 11.386 6.633 ( -0.416 19.829 6.730) 20.944 7.097 ( 1.910 9.302 6.717) 11.631 7.953 ( 2.988 6.472 -6.223) 9.462 8.254 ( -10.645 -10.517 -2.723) 15.210 8.926 ( 6.954 -2.805 4.460) 8.724 9.253 ( 2.486 3.990 1.178) 4.847 10.335 ( -0.287 0.418 -1.247) 1.346 10.620 ( 1.562 -2.760 3.259) 4.547 10.862 ( -1.333 -10.773 8.522) 13.801 12.608 ( -1.896 -16.325 -5.437) 17.310 20.613 ( -2.117 -4.901 0.534) 5.365 20.854 ( 3.061 -1.317 -2.192) 3.988 20.878 ( 0.371 -2.101 -0.751) 2.262 20.977 ( -0.532 -0.190 0.050) 0.567 24.870 ( -0.107 -3.167 2.901) 4.296 24.921 ( 0.015 -1.722 0.915) 1.950 32.444 ( -0.292 -0.917 -0.162) 0.976 32.516 ( 0.364 0.719 -1.281) 1.513 42.635 ( -4.723 4.642 -2.251) 6.994 43.337 ( -2.177 8.023 -4.959) 9.680 43.915 ( 5.471 11.442 2.550) 12.937 45.724 ( 0.945 25.138 -28.671) 38.142 ======================= Grid point 202 (103/294) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 15.591 5.211 -18.090) 24.443 3.446 ( 10.237 13.083 27.152) 31.830 4.069 ( -4.782 17.941 15.408) 24.128 4.269 ( -0.801 6.969 -3.779) 7.968 4.576 ( -10.966 6.069 -1.009) 12.574 4.904 ( 11.232 1.725 -4.172) 12.105 5.839 ( -4.261 1.201 -2.536) 5.102 6.008 ( 11.398 -2.970 -12.415) 17.113 6.852 ( 1.501 15.617 0.088) 15.689 7.227 ( -6.058 9.172 3.478) 11.529 7.849 ( -9.880 -0.363 1.345) 9.977 8.299 ( 14.229 7.140 2.277) 16.082 8.991 ( 4.147 -7.728 5.138) 10.165 9.352 ( 3.736 2.591 -0.162) 4.550 10.299 ( -2.843 -0.269 -3.192) 4.283 10.664 ( 3.660 -1.434 2.305) 4.557 10.777 ( -0.312 -10.994 7.041) 13.059 12.194 ( -22.219 -15.025 -3.677) 27.073 20.565 ( 1.251 -4.458 0.863) 4.710 20.839 ( -1.495 -2.128 -1.100) 2.823 20.864 ( 0.198 -1.031 -2.314) 2.541 20.957 ( -1.020 -0.518 0.278) 1.177 24.852 ( -0.336 -2.028 2.005) 2.872 24.905 ( -0.377 -1.532 0.449) 1.640 32.432 ( -0.203 -0.343 0.082) 0.407 32.522 ( 0.258 0.775 -1.428) 1.645 42.720 ( 9.307 4.092 -0.787) 10.197 43.326 ( -4.883 7.972 -3.850) 10.110 44.211 ( 14.021 9.437 2.432) 17.075 45.775 ( -4.483 17.233 -22.210) 28.467 ======================= Grid point 203 (104/294) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.447 ( 21.653 -5.308 -15.167) 26.964 3.875 ( 4.438 17.330 25.673) 31.291 4.234 ( 4.508 6.852 4.405) 9.310 4.310 ( 0.340 3.531 1.417) 3.820 4.490 ( -10.875 18.837 0.270) 21.753 5.081 ( 12.581 -5.137 -10.213) 16.999 5.760 ( -1.499 2.878 -7.939) 8.577 6.217 ( 16.062 -0.971 1.004) 16.123 6.915 ( -13.871 3.821 4.527) 15.084 7.069 ( -10.199 11.879 -11.278) 19.296 7.882 ( 10.073 -2.066 4.169) 11.096 8.642 ( 7.378 9.686 9.848) 15.660 9.001 ( 1.587 -3.364 4.215) 5.622 9.399 ( 2.050 -2.391 -2.905) 4.284 10.191 ( -5.525 -3.015 -3.688) 7.295 10.689 ( 0.409 -1.644 -2.109) 2.705 10.757 ( 4.844 -7.859 8.386) 12.472 11.607 ( -27.485 -9.247 -0.261) 29.000 20.564 ( 2.527 -3.595 0.792) 4.465 20.774 ( -4.003 0.360 -1.181) 4.189 20.821 ( -1.413 -2.704 -1.356) 3.339 20.943 ( 0.196 -1.068 -0.259) 1.116 24.841 ( -0.093 -1.056 1.195) 1.597 24.885 ( -0.536 -1.133 0.074) 1.255 32.435 ( 0.546 0.336 0.386) 0.749 32.523 ( -0.274 0.775 -1.407) 1.630 42.988 ( 16.608 2.532 0.862) 16.822 43.303 ( -4.748 8.500 -3.814) 10.456 44.578 ( 17.480 4.909 3.198) 18.436 45.684 ( -10.097 11.027 -16.343) 22.151 ======================= Grid point 204 (105/294) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.576 ( 6.875 -6.938 -7.858) 12.536 4.196 ( -5.757 8.164 24.734) 26.676 4.282 ( -0.864 12.695 -3.949) 13.323 4.507 ( 14.327 0.959 4.570) 15.069 4.586 ( 0.069 11.362 -0.194) 11.364 5.145 ( 14.428 -8.845 -15.652) 23.052 5.784 ( 2.211 8.258 -7.264) 11.218 6.459 ( 4.210 -0.056 2.690) 4.996 6.653 ( -8.663 4.735 2.407) 10.162 7.059 ( -4.163 12.729 -7.589) 15.394 8.093 ( 15.445 -5.834 3.645) 16.907 8.743 ( -4.672 -3.086 7.615) 9.452 9.019 ( -3.344 3.333 4.667) 6.639 9.339 ( -2.874 -5.266 -4.914) 7.754 10.040 ( -4.841 -4.593 -1.709) 6.889 10.688 ( 1.966 0.236 -2.315) 3.046 10.808 ( 4.073 -5.800 5.862) 9.197 11.135 ( -19.864 -2.216 2.414) 20.133 20.580 ( 2.002 -2.135 0.462) 2.964 20.703 ( -4.271 1.187 -0.751) 4.495 20.766 ( -0.925 -2.332 -0.886) 2.661 20.937 ( 0.943 -1.740 -0.243) 1.994 24.840 ( 0.165 -0.412 0.583) 0.732 24.866 ( -0.531 -0.717 -0.106) 0.899 32.461 ( 1.415 0.721 0.594) 1.696 32.513 ( -0.963 0.721 -1.119) 1.643 43.279 ( -0.857 8.249 -1.932) 8.516 43.332 ( 14.173 1.872 0.183) 14.298 44.896 ( 12.772 -0.572 0.617) 12.800 45.523 ( -8.518 7.408 -8.640) 14.215 ======================= Grid point 205 (106/294) ======================= q-point: ( 0.67 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.492 ( -9.008 -1.707 0.114) 9.169 4.129 ( -1.876 -1.863 -1.144) 2.881 4.438 ( -11.111 11.735 9.327) 18.659 4.643 ( -0.178 -4.411 9.509) 10.484 4.672 ( 13.549 -9.449 -4.865) 17.220 5.255 ( 8.595 0.931 -11.317) 14.241 5.972 ( 11.305 13.272 -8.152) 19.246 6.380 ( -12.887 16.764 -2.796) 21.329 6.790 ( 9.736 -3.170 4.544) 11.202 7.107 ( 1.184 9.451 -2.581) 9.869 8.291 ( 5.189 -2.429 4.481) 7.274 8.595 ( 0.513 -12.589 1.980) 12.754 9.037 ( -1.025 4.018 7.879) 8.904 9.112 ( -12.133 -6.756 -6.683) 15.411 9.908 ( -4.575 -6.492 0.602) 7.964 10.719 ( -0.277 1.836 -0.262) 1.875 10.821 ( -0.676 -1.484 0.894) 1.860 10.933 ( -3.074 -1.097 3.312) 4.650 20.586 ( -0.585 0.173 -0.440) 0.752 20.662 ( -0.821 1.171 0.034) 1.430 20.740 ( 0.540 -1.748 -0.152) 1.835 20.937 ( 1.271 -2.248 -0.140) 2.586 24.842 ( -0.163 0.007 0.085) 0.184 24.853 ( -0.057 -0.445 -0.024) 0.449 32.492 ( -1.201 0.710 -0.576) 1.509 32.501 ( 1.551 0.508 0.451) 1.693 43.282 ( -5.011 9.384 -2.301) 10.884 43.617 ( 14.278 -0.684 0.149) 14.295 44.899 ( -8.514 -1.763 -4.192) 9.652 45.577 ( 10.617 2.781 0.417) 10.983 ======================= Grid point 206 (107/294) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( -16.534 -0.987 8.258) 18.508 4.059 ( -4.942 -11.306 -1.543) 12.435 4.307 ( -3.019 -1.382 2.134) 3.947 4.533 ( -8.226 -1.937 3.762) 9.250 4.841 ( 8.905 -0.716 -0.960) 8.986 5.381 ( 6.469 8.502 -7.143) 12.852 6.123 ( -6.443 8.665 -4.305) 11.624 6.403 ( -0.343 14.415 -5.787) 15.536 6.880 ( 1.591 -1.012 -1.397) 2.347 7.239 ( 5.142 1.811 2.623) 6.050 8.206 ( -8.193 0.011 5.633) 9.942 8.566 ( -1.965 -12.193 -6.616) 14.011 8.819 ( -5.800 -5.052 -0.902) 7.744 9.225 ( 12.277 6.314 8.422) 16.172 9.771 ( -2.291 -6.674 3.113) 7.713 10.685 ( -3.503 0.025 1.869) 3.970 10.847 ( 1.991 5.102 -3.317) 6.403 10.928 ( 2.842 -6.368 2.085) 7.278 20.570 ( -1.276 2.026 -0.880) 2.551 20.695 ( 2.365 0.732 0.415) 2.510 20.746 ( 1.886 -1.038 0.256) 2.168 20.933 ( 1.077 -2.433 -0.025) 2.661 24.831 ( -0.826 0.030 -0.066) 0.829 24.857 ( 0.597 -0.078 0.021) 0.603 32.469 ( -1.651 0.706 -0.245) 1.812 32.536 ( 1.652 -0.168 0.181) 1.670 43.272 ( -5.987 9.470 -1.097) 11.258 43.766 ( 6.186 -4.205 -5.363) 9.204 44.677 ( -13.560 1.632 3.032) 13.990 45.829 ( 15.959 -1.451 -1.275) 16.075 ======================= Grid point 207 (108/294) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( -20.246 -6.343 16.334) 26.776 3.786 ( -8.741 -9.163 6.212) 14.105 4.353 ( 3.822 0.065 -7.176) 8.130 4.418 ( -6.330 4.115 3.570) 8.352 4.878 ( -5.097 1.547 -5.591) 7.722 5.551 ( 4.115 10.180 0.065) 10.980 5.987 ( -12.226 5.824 -4.969) 14.425 6.483 ( 1.698 2.172 -3.711) 4.623 6.794 ( -6.739 -1.056 -7.617) 10.225 7.295 ( 3.791 -8.007 1.828) 9.045 8.195 ( -1.772 1.007 10.750) 10.942 8.258 ( -14.880 6.137 -11.549) 19.810 8.747 ( -1.919 -3.693 4.885) 6.417 9.420 ( 1.930 -7.229 5.072) 9.039 9.921 ( 19.765 1.722 4.172) 20.274 10.638 ( -2.851 -0.065 1.046) 3.038 10.877 ( -1.578 -2.511 -0.686) 3.044 10.986 ( 11.821 -0.522 -1.987) 11.998 20.587 ( 0.735 3.106 -0.764) 3.282 20.717 ( 1.405 -3.605 0.385) 3.888 20.801 ( 3.817 1.056 -0.587) 4.004 20.935 ( 1.255 -0.523 0.654) 1.509 24.817 ( -0.913 0.164 0.201) 0.949 24.868 ( 0.690 -0.000 -0.008) 0.690 32.450 ( -1.304 0.649 -0.007) 1.457 32.553 ( 1.007 -0.890 -0.398) 1.402 43.250 ( -7.331 9.366 0.369) 11.900 43.681 ( -3.012 -7.438 -11.198) 13.777 44.542 ( -11.500 6.141 11.604) 17.453 46.049 ( 14.546 -4.042 -7.194) 16.724 ======================= Grid point 208 (109/294) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -24.597 -14.174 21.498) 35.610 3.672 ( -13.690 8.760 7.880) 18.062 4.307 ( -3.492 5.182 -2.825) 6.858 4.457 ( 7.198 -7.132 -1.113) 10.194 4.608 ( -20.141 2.045 -13.941) 24.581 5.657 ( -10.988 7.374 11.418) 17.478 5.844 ( -7.048 13.694 -8.780) 17.729 6.459 ( 1.179 -9.231 -0.714) 9.333 6.609 ( -7.313 0.708 -9.616) 12.102 7.287 ( 6.656 -7.360 -3.469) 10.512 7.999 ( -15.172 5.237 4.723) 16.731 8.355 ( 3.384 12.570 0.710) 13.037 8.758 ( 3.459 -1.271 7.082) 7.983 9.353 ( -0.488 -11.443 5.992) 12.926 10.213 ( 10.268 -4.405 -0.677) 11.194 10.619 ( -0.175 1.720 2.365) 2.930 10.794 ( -1.438 -7.126 0.000) 7.270 11.282 ( 21.806 2.152 -4.998) 22.474 20.642 ( 1.892 2.687 -0.246) 3.295 20.693 ( 2.133 -5.399 -0.458) 5.823 20.860 ( 2.925 -0.504 -0.950) 3.117 20.981 ( 2.046 2.565 0.785) 3.373 24.807 ( -0.701 0.319 0.820) 1.125 24.881 ( 0.770 -0.060 0.094) 0.778 32.438 ( -0.578 0.337 -0.004) 0.669 32.550 ( 0.326 -1.058 -0.986) 1.483 43.206 ( -8.375 7.270 2.644) 11.401 43.472 ( -5.722 -3.426 -11.695) 13.463 44.475 ( -13.127 7.562 13.588) 20.351 46.153 ( 9.767 -5.907 -16.341) 19.933 ======================= Grid point 211 (110/294) ======================= q-point: ( 0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -8.022 29.506 6.981) 31.364 2.777 ( -27.964 10.118 10.823) 31.647 4.092 ( -1.874 2.929 1.817) 3.924 4.489 ( 2.828 4.915 -6.874) 8.911 4.649 ( 1.646 -7.677 -7.798) 11.066 5.687 ( -19.726 14.021 11.730) 26.894 6.009 ( -16.627 1.777 1.234) 16.767 6.315 ( -1.086 -1.577 -4.847) 5.212 6.585 ( -0.049 23.949 1.140) 23.976 6.978 ( 1.862 -2.539 -10.558) 11.017 8.167 ( -6.916 -17.392 -8.456) 20.538 8.446 ( 1.354 2.487 13.503) 13.796 9.074 ( -2.675 5.101 -2.055) 6.115 9.154 ( 0.588 -0.933 10.823) 10.879 10.083 ( 10.813 -7.376 -1.721) 13.202 10.569 ( 0.738 -2.388 -0.616) 2.575 11.055 ( 5.529 0.554 9.685) 11.165 11.531 ( 19.413 -9.492 -6.423) 22.543 20.653 ( 4.232 -0.054 1.401) 4.458 20.796 ( 3.318 -3.644 -1.202) 5.073 20.835 ( 2.694 -1.018 -1.674) 3.332 20.979 ( -4.589 -2.525 -1.015) 5.335 24.846 ( 0.694 -0.864 2.077) 2.354 24.901 ( 0.874 -0.886 0.429) 1.316 32.430 ( 0.502 -0.262 0.073) 0.571 32.519 ( -0.038 0.704 -1.583) 1.733 43.138 ( 0.961 4.738 -2.564) 5.472 43.494 ( -10.434 6.142 0.392) 12.114 44.304 ( -21.572 4.973 5.366) 22.779 45.593 ( -0.147 10.195 -29.685) 31.388 ======================= Grid point 212 (111/294) ======================= q-point: ( 0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( -3.402 24.190 17.768) 30.206 2.784 ( -2.056 33.556 14.504) 36.614 3.981 ( -6.384 -5.998 -9.125) 12.650 4.479 ( -5.755 4.073 -1.145) 7.143 4.699 ( 13.140 -5.324 -1.350) 14.242 5.517 ( -23.948 13.765 12.458) 30.301 5.699 ( -11.565 -1.353 -17.147) 20.727 6.231 ( -4.544 -2.335 -5.120) 7.233 6.758 ( 0.730 12.743 -6.189) 14.185 7.087 ( -0.897 21.547 12.698) 25.026 7.828 ( -1.753 -17.745 -10.717) 20.804 8.569 ( -0.377 4.065 6.804) 7.935 8.952 ( -10.606 -2.727 3.778) 11.584 9.212 ( 0.924 2.940 2.939) 4.259 10.203 ( 9.299 -4.929 -0.010) 10.525 10.559 ( 1.405 -3.241 0.565) 3.577 11.030 ( -6.735 -5.046 6.210) 10.458 11.919 ( 32.883 -10.282 -2.667) 34.556 20.729 ( 3.419 -0.367 0.278) 3.450 20.774 ( -1.522 -4.870 -1.672) 5.369 20.823 ( -0.622 -3.029 -0.886) 3.217 20.923 ( 2.328 -0.192 -0.174) 2.343 24.857 ( 0.610 -1.755 2.195) 2.876 24.907 ( 0.716 -1.282 0.526) 1.560 32.437 ( 0.549 -0.321 0.024) 0.636 32.516 ( -0.283 0.810 -1.490) 1.720 43.136 ( -11.602 0.311 1.958) 11.770 43.328 ( -5.541 9.311 -10.349) 14.983 44.095 ( -13.647 8.468 7.097) 17.559 45.617 ( 3.856 17.359 -26.766) 32.134 ======================= Grid point 213 (112/294) ======================= q-point: ( 0.33 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 0.513 9.114 12.435) 15.426 3.093 ( 0.456 19.222 16.796) 25.530 3.892 ( 7.211 14.329 -9.158) 18.471 4.411 ( -5.261 0.301 -1.681) 5.531 4.778 ( -2.769 -3.414 2.809) 5.217 5.318 ( -22.515 17.217 11.874) 30.730 5.512 ( 9.680 -6.451 -22.159) 25.027 6.058 ( -6.863 -3.890 -8.097) 11.305 6.878 ( -0.037 13.512 -0.451) 13.520 7.340 ( -4.995 19.511 10.208) 22.580 7.782 ( 12.673 3.578 -4.013) 13.766 8.441 ( -15.915 -4.954 -0.396) 16.673 8.856 ( 0.185 -3.460 7.050) 7.855 9.280 ( 1.267 3.914 3.656) 5.504 10.283 ( 5.081 -3.484 -2.109) 6.512 10.560 ( 1.989 -3.458 2.036) 4.479 10.881 ( -6.315 -6.467 5.349) 10.503 12.247 ( 19.412 -15.619 -4.581) 25.333 20.638 ( -5.181 -4.131 0.088) 6.627 20.759 ( 2.893 -3.806 -1.221) 4.934 20.840 ( 2.489 0.007 -0.733) 2.595 20.965 ( 1.903 -0.140 -0.121) 1.912 24.855 ( 0.188 -2.048 1.962) 2.843 24.905 ( 0.376 -1.509 0.449) 1.619 32.440 ( 0.050 -0.249 0.053) 0.259 32.512 ( -0.059 0.694 -1.396) 1.560 42.850 ( -15.533 2.429 -2.250) 15.882 43.393 ( 1.875 8.919 -5.211) 10.498 44.050 ( -5.985 9.693 5.059) 12.465 45.753 ( 5.068 17.628 -22.135) 28.747 ======================= Grid point 214 (113/294) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 1.298 -13.002 -16.531) 21.072 3.572 ( 10.460 15.098 30.506) 35.608 4.224 ( -1.238 6.817 -6.540) 9.528 4.308 ( -0.682 12.887 4.493) 13.665 4.687 ( 3.649 -2.689 -8.213) 9.381 5.172 ( -19.974 16.130 9.357) 27.326 5.660 ( 17.432 -2.154 -8.518) 19.521 5.875 ( -5.166 -1.230 -7.473) 9.168 6.997 ( -0.375 10.813 -0.018) 10.819 7.456 ( -1.138 12.420 -0.572) 12.486 8.028 ( -15.615 -8.412 -1.247) 17.780 8.221 ( 11.389 23.065 7.599) 26.822 8.860 ( 2.942 -9.619 6.432) 11.940 9.364 ( 0.730 4.409 2.983) 5.373 10.279 ( 1.144 -5.382 -3.386) 6.460 10.591 ( 3.246 -2.116 3.144) 4.990 10.753 ( -3.732 -5.654 2.552) 7.239 12.205 ( -1.182 -17.594 -5.312) 18.416 20.541 ( -2.158 -2.921 0.942) 3.752 20.757 ( 2.689 -5.188 -0.706) 5.886 20.869 ( 0.635 1.512 -2.489) 2.980 20.975 ( -0.552 -0.418 0.626) 0.934 24.846 ( -0.077 -1.693 1.525) 2.279 24.895 ( -0.001 -1.413 0.233) 1.432 32.436 ( -0.340 0.080 0.247) 0.428 32.514 ( 0.399 0.532 -1.429) 1.576 42.709 ( -3.182 4.456 -1.379) 5.646 43.455 ( -2.158 6.384 -0.503) 6.757 44.147 ( 4.288 9.437 0.996) 10.414 45.865 ( 0.665 14.045 -17.098) 22.137 ======================= Grid point 215 (114/294) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 20.972 -13.549 -17.537) 30.511 4.024 ( 8.565 11.335 23.951) 27.848 4.141 ( 2.424 -1.909 -1.699) 3.522 4.408 ( -2.721 6.133 -0.688) 6.745 4.786 ( 5.987 2.905 -9.249) 11.394 5.048 ( -16.167 12.537 6.787) 21.555 5.816 ( -1.321 8.189 -3.166) 8.878 5.912 ( 16.213 -2.366 -0.596) 16.396 7.072 ( -0.945 4.625 -0.561) 4.754 7.457 ( -17.603 15.195 -4.869) 23.759 7.739 ( 0.646 -7.381 -1.364) 7.533 8.693 ( 6.899 12.578 10.249) 17.630 8.883 ( 8.710 -1.350 4.368) 9.837 9.392 ( -2.465 1.343 0.411) 2.837 10.182 ( -1.809 -9.010 -3.366) 9.787 10.654 ( 4.051 -2.589 4.527) 6.604 10.671 ( -1.367 -2.349 -0.970) 2.886 11.865 ( -15.257 -13.189 -3.607) 20.488 20.511 ( 0.634 -1.969 1.256) 2.420 20.743 ( 1.932 -4.878 -0.756) 5.301 20.858 ( -2.301 1.788 -2.731) 3.994 20.952 ( -1.584 -0.670 0.820) 1.905 24.837 ( -0.025 -1.094 1.012) 1.491 24.881 ( -0.254 -1.039 0.034) 1.070 32.437 ( -0.027 0.421 0.506) 0.659 32.520 ( 0.441 0.487 -1.416) 1.561 42.803 ( 8.557 4.066 0.501) 9.487 43.456 ( -4.522 6.339 0.874) 7.835 44.371 ( 12.000 5.083 -0.152) 13.033 45.862 ( -6.132 10.172 -12.059) 16.925 ======================= Grid point 216 (115/294) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( 27.125 -10.507 -13.571) 32.099 4.208 ( 9.086 -5.269 -4.756) 11.530 4.370 ( 2.345 3.483 20.186) 20.618 4.460 ( 4.658 9.869 0.061) 10.914 4.793 ( 2.804 1.221 -7.126) 7.755 4.926 ( -12.665 7.399 4.084) 15.226 5.879 ( -2.205 9.794 -3.253) 10.553 6.199 ( 17.375 -1.070 5.388) 18.222 6.968 ( -12.115 -1.896 2.467) 12.508 7.309 ( -11.874 20.642 -9.365) 25.589 7.801 ( 10.305 -4.792 0.044) 11.365 8.769 ( 2.304 -7.376 6.414) 10.043 9.102 ( -0.391 3.344 1.700) 3.771 9.341 ( -3.015 4.174 -0.954) 5.236 10.016 ( -2.776 -11.482 -2.999) 12.188 10.658 ( 1.439 1.565 -1.814) 2.794 10.720 ( 3.726 -2.904 4.721) 6.678 11.452 ( -18.698 -5.331 -1.120) 19.475 20.527 ( 2.004 -1.152 1.166) 2.589 20.721 ( 0.945 -3.406 -0.633) 3.591 20.803 ( -4.334 1.658 -1.766) 4.965 20.923 ( -0.951 -1.063 0.188) 1.439 24.834 ( 0.193 -0.561 0.542) 0.804 24.867 ( -0.382 -0.581 -0.056) 0.697 32.451 ( 0.751 0.471 0.651) 1.100 32.522 ( -0.020 0.571 -1.162) 1.295 43.058 ( 15.181 2.888 1.730) 15.550 43.448 ( -4.616 7.250 1.041) 8.657 44.628 ( 14.796 -1.174 -1.027) 14.878 45.745 ( -11.070 7.557 -6.629) 14.953 ======================= Grid point 217 (116/294) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( 17.888 -3.193 -7.202) 19.546 4.241 ( 7.267 -9.042 -11.412) 16.273 4.259 ( -7.773 -10.932 6.387) 14.857 4.604 ( -4.313 -4.152 2.001) 6.312 4.856 ( -5.864 9.370 6.841) 13.000 5.060 ( 15.545 13.016 3.926) 20.651 5.933 ( 3.512 10.894 -5.947) 12.899 6.507 ( 14.238 -1.721 7.078) 15.993 6.772 ( -11.415 4.024 0.512) 12.114 7.295 ( -7.411 16.192 -4.070) 18.266 7.974 ( 14.879 -4.901 0.299) 15.668 8.686 ( -8.994 -6.518 -0.335) 11.113 9.019 ( 0.839 -8.731 4.506) 9.861 9.286 ( -11.041 5.946 -3.734) 13.084 9.857 ( -0.374 -11.639 -2.548) 11.921 10.720 ( 2.414 4.025 -1.584) 4.953 10.770 ( 2.429 -2.534 3.800) 5.173 11.134 ( -14.399 0.268 0.275) 14.404 20.561 ( 2.071 -0.377 0.759) 2.237 20.705 ( -0.047 -1.061 -0.004) 1.062 20.737 ( -3.606 1.266 -1.104) 3.979 20.903 ( 0.214 -1.623 -0.129) 1.642 24.838 ( 0.409 -0.184 0.204) 0.493 24.855 ( -0.487 -0.219 -0.060) 0.537 32.476 ( 1.414 0.046 0.514) 1.505 32.517 ( -0.725 0.727 -0.654) 1.217 43.361 ( 15.255 1.150 0.816) 15.320 43.454 ( -4.368 8.047 1.862) 9.343 44.811 ( 10.459 -5.930 -2.941) 12.378 45.610 ( -8.115 6.016 -0.870) 10.139 ======================= Grid point 218 (117/294) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( -2.644 0.535 3.598) 4.497 4.025 ( -5.826 -7.400 -2.870) 9.845 4.296 ( 13.523 -15.219 -1.874) 20.445 4.365 ( -6.577 -11.172 -1.810) 13.090 4.900 ( -3.075 7.667 1.593) 8.413 5.399 ( 4.510 17.325 3.250) 18.195 6.162 ( 8.094 7.011 -2.418) 10.978 6.600 ( -7.660 3.203 -1.369) 8.415 6.759 ( 8.165 0.773 2.784) 8.661 7.325 ( -5.100 11.112 -1.029) 12.269 8.183 ( 16.757 -13.884 0.858) 21.779 8.410 ( -12.302 -0.039 0.396) 12.308 8.928 ( -8.706 -4.939 -3.980) 10.771 9.208 ( 1.213 5.756 3.612) 6.903 9.730 ( -0.211 -10.645 -0.696) 10.670 10.723 ( -1.788 -4.182 1.030) 4.663 10.827 ( 1.538 4.966 -0.996) 5.293 10.969 ( -6.270 1.457 0.061) 6.437 20.590 ( 0.640 0.514 0.021) 0.821 20.690 ( -1.277 1.541 -0.114) 2.004 20.715 ( 0.798 -0.743 0.091) 1.094 20.898 ( 0.964 -1.212 0.002) 1.549 24.845 ( -0.657 0.106 -0.005) 0.666 24.846 ( 0.583 -0.079 0.005) 0.588 32.499 ( 0.376 -0.049 -0.128) 0.401 32.508 ( -0.141 0.163 0.128) 0.250 43.457 ( -4.268 6.809 2.324) 8.365 43.583 ( 8.490 -0.684 -2.820) 8.973 44.833 ( -0.402 -3.200 0.929) 3.356 45.618 ( 4.242 1.933 -0.434) 4.682 ======================= Grid point 219 (118/294) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( -16.899 -4.719 14.673) 22.872 3.796 ( -4.893 -12.749 1.199) 13.709 4.235 ( 4.484 -2.336 -4.857) 7.011 4.456 ( 9.473 -2.586 0.063) 9.820 4.932 ( -1.197 7.119 -2.443) 7.621 5.633 ( 1.234 17.379 0.432) 17.428 6.185 ( -6.409 0.313 -1.056) 6.503 6.473 ( -4.328 -5.799 -1.252) 7.344 6.879 ( -1.604 6.174 -4.789) 7.977 7.246 ( -6.853 -2.350 -3.600) 8.090 8.221 ( 8.833 -9.060 -1.178) 12.708 8.371 ( -5.425 1.705 7.139) 9.127 8.756 ( -3.216 2.577 -3.780) 5.592 9.323 ( 3.211 -4.478 2.906) 6.230 9.714 ( 8.451 -1.595 4.586) 9.746 10.654 ( -0.547 -4.570 0.641) 4.647 10.832 ( -3.525 -2.510 0.335) 4.340 10.958 ( 1.640 7.900 -3.818) 8.926 20.599 ( 0.011 1.172 -0.150) 1.182 20.676 ( -0.427 -2.486 -0.388) 2.552 20.750 ( 2.862 1.077 -0.145) 3.061 20.919 ( 1.469 1.080 0.721) 1.960 24.834 ( -0.727 0.179 0.132) 0.760 24.857 ( 0.624 0.045 -0.069) 0.630 32.484 ( -1.690 0.801 0.149) 1.876 32.518 ( 1.355 -1.425 -0.333) 1.995 43.449 ( -5.076 3.451 3.534) 7.082 43.602 ( -0.577 -1.274 -8.549) 8.662 44.812 ( -4.886 3.781 9.862) 11.637 45.739 ( 10.761 -2.648 -6.438) 12.816 ======================= Grid point 220 (119/294) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( -22.925 -11.269 17.758) 31.111 3.741 ( 5.812 -5.127 1.863) 7.971 4.338 ( 5.050 7.320 0.194) 8.895 4.482 ( -6.795 -0.440 0.447) 6.823 4.907 ( -11.750 8.154 -6.428) 15.680 5.793 ( 3.975 8.483 -1.955) 9.570 6.059 ( -9.252 5.204 3.202) 11.088 6.338 ( 0.017 -8.965 -3.704) 9.700 6.745 ( -11.769 5.361 -12.342) 17.876 7.133 ( 1.150 -6.097 -1.736) 6.443 8.223 ( -2.290 -5.202 0.243) 5.689 8.390 ( 3.076 2.432 9.431) 10.214 8.776 ( -1.318 7.656 -0.083) 7.769 9.255 ( -0.417 -12.737 4.781) 13.611 9.960 ( 13.240 -1.256 2.324) 13.501 10.630 ( 1.944 -3.515 0.884) 4.113 10.725 ( -3.059 -5.614 0.822) 6.446 11.101 ( 6.889 10.314 -5.379) 13.520 20.616 ( 1.286 -2.486 -0.679) 2.880 20.637 ( 0.121 -1.026 0.260) 1.065 20.808 ( 2.569 0.739 -0.870) 2.811 20.976 ( 2.067 2.817 0.859) 3.598 24.826 ( -0.645 0.299 0.446) 0.839 24.868 ( 0.681 -0.030 -0.051) 0.684 32.462 ( -1.617 0.391 0.227) 1.679 32.521 ( 1.020 -1.381 -0.839) 1.911 43.351 ( -5.366 -5.999 -0.794) 8.088 43.539 ( -5.238 8.440 -4.720) 10.998 44.822 ( -8.635 7.219 14.021) 17.980 45.833 ( 10.226 -5.149 -14.359) 18.365 ======================= Grid point 223 (120/294) ======================= q-point: ( 0.17 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -4.083 21.280 4.406) 22.112 3.360 ( -23.510 3.413 -0.450) 23.761 3.939 ( 15.784 -0.173 1.620) 15.868 4.608 ( -20.866 3.056 -4.381) 21.539 4.713 ( -6.370 2.311 -2.448) 7.205 6.024 ( -5.767 0.306 2.087) 6.141 6.169 ( 2.431 -0.493 6.513) 6.970 6.372 ( -6.361 2.159 -6.071) 9.054 6.643 ( 1.689 12.603 -14.116) 18.999 7.061 ( 0.058 14.290 7.720) 16.242 7.905 ( 0.247 -25.460 -8.036) 26.700 8.619 ( 1.361 8.144 10.431) 13.304 9.099 ( 4.073 2.556 0.199) 4.813 9.202 ( -0.689 -1.415 14.858) 14.941 9.820 ( 4.288 -7.945 -6.180) 10.941 10.531 ( 1.410 -1.255 -0.110) 1.891 10.922 ( 11.819 0.458 5.475) 13.033 11.296 ( 0.266 -5.853 -1.681) 6.095 20.595 ( 3.720 0.792 1.387) 4.048 20.698 ( 3.373 -2.273 -1.250) 4.255 20.793 ( -0.256 -1.396 -0.967) 1.717 21.012 ( -2.773 -2.497 -0.966) 3.854 24.842 ( 0.209 -0.254 0.969) 1.023 24.880 ( 0.704 -0.688 0.031) 0.984 32.433 ( -0.548 0.585 0.414) 0.901 32.513 ( 0.607 0.428 -1.319) 1.514 43.154 ( 1.399 6.471 -4.428) 7.965 43.699 ( -6.630 2.487 4.058) 8.162 44.697 ( -16.149 1.670 -2.463) 16.421 45.541 ( -0.831 5.906 -14.033) 15.248 ======================= Grid point 224 (121/294) ======================= q-point: ( 0.25 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( 0.153 30.138 -3.119) 30.300 3.212 ( -7.564 15.964 23.254) 29.202 4.129 ( -19.857 -7.113 0.690) 21.104 4.306 ( 20.729 -4.600 -3.048) 21.451 4.656 ( -7.720 10.484 -3.897) 13.590 5.838 ( -13.412 -3.531 -6.850) 15.469 5.952 ( -16.448 -4.008 -7.063) 18.343 6.356 ( -6.981 6.521 5.083) 10.821 6.733 ( 4.954 12.417 -11.508) 17.640 7.388 ( 6.093 22.786 11.956) 26.444 7.569 ( -1.440 -23.147 -9.259) 24.972 8.723 ( -4.150 7.502 7.008) 11.074 9.109 ( -7.004 -2.907 2.494) 7.983 9.228 ( 0.856 -1.102 8.323) 8.439 9.897 ( 15.327 -9.209 -2.429) 18.045 10.539 ( 0.021 0.746 -0.377) 0.836 11.104 ( -1.841 -4.142 5.541) 7.159 11.330 ( 20.986 -6.586 -1.004) 22.018 20.678 ( 3.050 1.166 -0.021) 3.266 20.706 ( 2.003 -3.959 0.162) 4.440 20.788 ( 1.639 -1.864 -2.109) 3.257 20.922 ( -3.045 -2.265 0.055) 3.796 24.847 ( 0.190 -0.731 1.129) 1.358 24.884 ( 0.695 -0.984 0.079) 1.207 32.436 ( -0.177 0.593 0.338) 0.705 32.518 ( 0.148 0.677 -1.368) 1.533 43.233 ( 0.744 7.285 -2.911) 7.881 43.543 ( -13.293 0.998 -3.431) 13.765 44.459 ( -14.880 5.458 4.620) 16.509 45.556 ( 3.677 9.440 -16.829) 19.643 ======================= Grid point 225 (122/294) ======================= q-point: ( 0.33 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( -7.259 12.321 15.872) 21.364 3.367 ( -11.087 2.395 13.898) 17.939 3.904 ( 8.999 19.423 -4.496) 21.873 4.569 ( -9.405 7.741 -2.028) 12.349 4.676 ( 15.545 0.833 2.774) 15.812 5.355 ( -16.773 -9.134 -22.014) 29.144 5.721 ( -9.713 -0.001 -0.877) 9.753 6.241 ( -14.907 7.648 2.503) 16.941 6.930 ( 5.510 11.848 -3.324) 13.483 7.301 ( 5.971 -17.073 -12.096) 21.758 7.866 ( 7.349 29.021 13.187) 32.712 8.658 ( -12.247 -0.844 2.354) 12.499 8.917 ( -7.768 -6.967 5.806) 11.941 9.310 ( 2.406 3.664 5.692) 7.185 10.044 ( 12.674 -9.937 -1.985) 16.227 10.547 ( -0.393 2.208 -0.431) 2.283 10.968 ( -7.258 -6.383 3.889) 10.419 11.686 ( 25.277 -10.264 -2.412) 27.388 20.663 ( -0.526 -4.163 -1.644) 4.507 20.700 ( -1.999 -2.945 0.660) 3.620 20.792 ( 2.862 0.797 -1.111) 3.172 20.918 ( 2.676 -0.454 0.598) 2.780 24.845 ( 0.040 -1.098 1.114) 1.564 24.885 ( 0.522 -1.123 0.081) 1.241 32.440 ( -0.054 0.399 0.265) 0.482 32.516 ( -0.289 0.724 -1.284) 1.502 43.136 ( -15.981 -0.416 -1.366) 16.045 43.424 ( 0.501 9.105 -6.885) 11.426 44.330 ( -11.708 6.761 7.779) 15.598 45.680 ( 7.846 11.336 -15.875) 21.026 ======================= Grid point 226 (123/294) ======================= q-point: ( 0.42 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( -20.108 -15.766 -3.383) 25.775 3.713 ( 7.252 13.316 28.489) 32.273 4.338 ( 1.671 1.901 -4.423) 5.096 4.441 ( -1.679 23.009 -3.403) 23.320 4.666 ( -11.695 -3.208 -6.575) 13.794 5.232 ( 17.007 -2.795 -7.572) 18.826 5.576 ( -6.616 2.448 -2.204) 7.391 6.071 ( -15.247 8.850 4.384) 18.166 7.027 ( 2.793 -0.754 -3.627) 4.639 7.361 ( 12.823 3.523 -10.135) 16.720 8.332 ( -20.019 1.256 1.126) 20.090 8.362 ( 8.518 22.855 10.278) 26.468 8.793 ( -2.301 -9.433 8.112) 12.652 9.422 ( 1.000 6.053 4.396) 7.547 10.098 ( 7.357 -11.663 -3.193) 14.154 10.571 ( 0.564 2.595 0.181) 2.662 10.802 ( -6.271 -5.345 1.633) 8.400 11.890 ( 13.781 -14.103 -4.899) 20.318 20.576 ( -3.609 -2.226 0.001) 4.240 20.666 ( 1.398 -4.219 -0.093) 4.445 20.846 ( 2.331 1.577 -1.733) 3.305 20.962 ( 1.922 -0.523 0.871) 2.174 24.839 ( -0.069 -1.139 0.958) 1.490 24.881 ( 0.245 -1.037 0.030) 1.066 32.444 ( -0.099 0.306 0.296) 0.437 32.511 ( -0.279 0.634 -1.193) 1.379 42.871 ( -11.820 1.888 -2.192) 12.169 43.514 ( 1.616 5.648 -0.147) 5.876 44.268 ( -6.515 7.273 3.356) 10.325 45.849 ( 6.397 10.624 -12.091) 17.320 ======================= Grid point 227 (124/294) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -2.100 -12.486 -5.476) 13.795 4.059 ( 2.796 2.873 6.421) 7.570 4.208 ( -1.234 6.698 15.610) 17.031 4.369 ( -1.770 -9.491 -16.764) 19.345 4.787 ( 2.223 15.396 0.800) 15.576 5.360 ( -4.391 2.593 2.412) 5.642 5.624 ( 12.750 -0.149 -3.167) 13.139 5.979 ( -7.485 9.429 5.313) 13.159 7.050 ( 3.587 -2.046 -4.415) 6.045 7.565 ( 8.161 5.592 -5.333) 11.239 7.958 ( -21.148 5.742 -4.614) 22.395 8.644 ( 3.438 -12.651 7.802) 15.256 8.893 ( 6.640 20.876 9.046) 23.701 9.486 ( -2.892 6.094 2.138) 7.076 10.029 ( 2.820 -15.211 -4.193) 16.028 10.618 ( 1.637 1.382 1.835) 2.821 10.681 ( -2.926 -2.480 -0.762) 3.911 11.841 ( -0.251 -11.654 -5.301) 12.805 20.517 ( -1.732 -0.512 0.931) 2.032 20.651 ( 2.083 -4.353 -0.523) 4.854 20.879 ( 0.471 2.082 -2.366) 3.186 20.973 ( -0.577 -0.887 1.342) 1.709 24.832 ( -0.032 -0.909 0.690) 1.142 24.874 ( -0.002 -0.725 -0.016) 0.725 32.447 ( -0.167 0.326 0.433) 0.567 32.510 ( 0.197 0.524 -1.107) 1.241 42.776 ( -0.976 2.909 -0.112) 3.071 43.570 ( -1.274 2.766 4.605) 5.521 44.296 ( 1.755 5.322 -1.399) 5.777 45.956 ( 0.333 8.721 -7.692) 11.633 ======================= Grid point 228 (125/294) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 19.716 -4.624 -5.235) 20.917 3.983 ( 0.926 -11.535 -14.881) 18.851 4.324 ( 11.077 3.180 -3.928) 12.176 4.483 ( 2.871 6.419 21.766) 22.873 4.857 ( -4.094 5.681 -0.788) 7.047 5.252 ( -12.592 3.038 6.606) 14.540 5.808 ( 10.867 -4.488 -2.915) 12.113 6.085 ( 5.570 8.538 5.296) 11.488 7.022 ( -1.601 -5.467 -0.896) 5.767 7.606 ( -5.523 -2.221 -2.006) 6.282 7.799 ( -6.899 23.842 -7.711) 25.990 8.614 ( 5.650 -12.759 5.860) 15.135 9.118 ( -0.077 -0.967 -1.446) 1.742 9.518 ( -4.364 13.938 3.540) 15.028 9.871 ( 0.614 -16.966 -4.439) 17.548 10.642 ( 1.011 1.004 -0.975) 1.726 10.679 ( 1.996 0.302 2.728) 3.394 11.638 ( -10.088 -4.314 -4.092) 11.710 20.512 ( 0.182 0.690 1.291) 1.475 20.647 ( 2.472 -3.523 -0.790) 4.376 20.874 ( -2.323 2.338 -2.058) 3.886 20.944 ( -2.023 -1.321 1.231) 2.712 24.828 ( 0.145 -0.582 0.372) 0.705 24.867 ( -0.175 -0.312 -0.020) 0.358 32.451 ( 0.108 0.181 0.518) 0.559 32.516 ( 0.480 0.553 -0.870) 1.137 42.884 ( 9.070 2.707 1.854) 9.645 43.586 ( -2.853 2.828 5.966) 7.193 44.401 ( 8.229 -0.316 -3.475) 8.939 45.950 ( -6.613 6.951 -3.141) 10.096 ======================= Grid point 229 (126/294) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 26.759 2.890 -4.486) 27.286 3.801 ( 7.955 -19.100 -17.756) 27.265 4.479 ( -8.444 -3.102 6.298) 10.981 4.650 ( 2.934 2.947 2.179) 4.695 4.847 ( 1.420 5.094 1.173) 5.416 5.180 ( -1.435 7.233 16.006) 17.623 5.883 ( 6.406 -3.358 -4.155) 8.341 6.340 ( 11.284 4.622 4.713) 13.073 6.903 ( -5.419 -3.727 1.568) 6.762 7.473 ( -4.990 -2.851 0.559) 5.774 7.944 ( -2.430 23.101 -5.317) 23.830 8.639 ( 4.821 -6.988 -0.906) 8.538 8.952 ( -3.049 -13.571 -1.099) 13.952 9.559 ( -11.017 11.353 0.502) 15.827 9.683 ( 1.188 -15.525 -5.341) 16.461 10.693 ( 2.517 0.796 -0.149) 2.644 10.742 ( 3.099 2.044 1.965) 4.200 11.389 ( -14.581 1.529 -2.623) 14.893 20.542 ( 1.004 1.387 1.212) 2.098 20.662 ( 2.644 -1.685 -0.519) 3.178 20.828 ( -4.432 2.263 -0.953) 5.067 20.899 ( -1.599 -1.692 0.389) 2.360 24.829 ( 0.371 -0.312 0.091) 0.493 24.862 ( -0.324 0.059 -0.000) 0.329 32.460 ( 0.652 -0.277 0.412) 0.820 32.525 ( 0.186 0.684 -0.418) 0.823 43.130 ( 14.033 1.956 2.258) 14.348 43.600 ( -2.905 3.771 6.241) 7.849 44.518 ( 11.424 -6.138 -4.995) 13.897 45.852 ( -10.750 5.840 1.480) 12.323 ======================= Grid point 230 (127/294) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.324 ( 18.086 3.329 -7.252) 19.768 3.774 ( 20.890 -15.346 -9.731) 27.687 4.185 ( -17.804 -8.178 4.032) 20.003 4.458 ( -13.600 -10.949 2.602) 17.653 4.957 ( 2.166 3.215 -1.491) 4.154 5.521 ( 8.975 15.991 11.974) 21.900 6.003 ( 11.976 -0.064 -0.798) 12.003 6.552 ( 7.085 -1.156 1.012) 7.250 6.819 ( -3.906 4.108 2.568) 6.224 7.403 ( 1.439 -7.068 4.343) 8.419 8.011 ( -5.830 2.693 -4.073) 7.605 8.582 ( -2.974 6.255 -4.946) 8.510 8.899 ( 3.891 -6.050 3.290) 7.910 9.364 ( -11.063 -0.728 -4.279) 11.884 9.583 ( 0.207 -5.703 -2.851) 6.379 10.701 ( -0.156 -4.060 0.886) 4.159 10.844 ( 3.186 5.888 -1.122) 6.788 11.151 ( -13.229 2.079 -1.570) 13.483 20.580 ( 1.026 1.565 0.581) 1.959 20.693 ( 1.568 -0.035 0.035) 1.569 20.765 ( -4.628 1.713 0.036) 4.935 20.872 ( 0.537 -1.052 -0.054) 1.183 24.835 ( 0.519 -0.228 -0.115) 0.578 24.857 ( -0.459 0.360 0.035) 0.584 32.471 ( 1.064 -0.896 0.162) 1.401 32.529 ( -0.532 0.717 0.063) 0.895 43.372 ( 10.660 -0.716 -0.222) 10.687 43.629 ( -2.448 4.638 6.393) 8.269 44.626 ( 12.729 -7.822 -4.934) 15.734 45.740 ( -9.610 4.963 4.772) 11.822 ======================= Grid point 231 (128/294) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.446 ( 5.282 -10.921 -6.756) 13.886 3.851 ( -12.829 -7.610 9.623) 17.751 4.094 ( 16.338 -4.859 -0.673) 17.058 4.171 ( 1.955 -3.875 -0.001) 4.341 4.994 ( 0.251 3.407 -2.071) 3.995 5.794 ( 2.528 14.930 -1.369) 15.204 6.187 ( 5.240 -0.899 5.319) 7.521 6.486 ( -6.216 -9.543 -2.021) 11.567 6.931 ( 2.522 10.769 0.938) 11.100 7.345 ( -5.404 -7.168 -3.184) 9.525 7.866 ( 6.526 -15.586 2.500) 17.081 8.665 ( -8.860 16.739 6.373) 19.982 8.824 ( -4.010 0.177 -6.202) 7.388 9.235 ( 1.194 -6.298 -4.892) 8.064 9.584 ( 5.525 -0.018 2.511) 6.069 10.629 ( -2.204 -5.037 0.401) 5.513 10.917 ( -4.417 2.289 -1.048) 5.084 10.998 ( -1.802 4.719 -2.324) 5.561 20.605 ( -0.047 0.780 -0.329) 0.848 20.686 ( -2.166 -1.331 -0.136) 2.546 20.732 ( 0.013 1.769 0.551) 1.853 20.906 ( 2.365 1.825 0.618) 3.050 24.839 ( 0.283 -0.297 -0.201) 0.457 24.855 ( -0.268 0.568 0.065) 0.631 32.478 ( 1.189 -1.479 -0.176) 1.906 32.521 ( -1.335 0.661 0.408) 1.544 43.437 ( 1.738 -5.823 -2.931) 6.747 43.670 ( -2.353 5.623 3.962) 7.270 44.773 ( 12.657 -3.648 -0.907) 13.204 45.680 ( -5.009 3.335 4.018) 7.236 ======================= Grid point 232 (129/294) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( -8.767 -16.659 1.353) 18.874 3.674 ( -8.137 -4.813 8.852) 12.951 4.206 ( 16.146 -2.357 6.539) 17.578 4.489 ( 10.505 8.609 -2.903) 13.888 5.039 ( 1.561 5.147 -1.590) 5.608 5.857 ( -7.337 4.228 -11.250) 14.081 6.188 ( -1.015 -4.324 -4.938) 6.642 6.310 ( -4.389 2.198 8.725) 10.011 6.938 ( -10.584 2.685 -8.745) 13.990 7.118 ( -4.668 -4.697 -0.687) 6.658 7.963 ( 12.745 -12.789 3.038) 18.309 8.525 ( -9.817 -2.558 9.364) 13.806 8.913 ( -0.544 16.339 -2.228) 16.500 9.151 ( 1.608 -10.006 -3.568) 10.744 9.777 ( 10.642 2.157 3.941) 11.551 10.559 ( -0.454 -4.557 0.772) 4.644 10.784 ( -6.156 -2.437 -0.515) 6.641 11.100 ( 3.127 9.375 -2.808) 10.274 20.581 ( -0.923 -2.691 -1.241) 3.104 20.645 ( -1.375 0.194 0.784) 1.595 20.776 ( 2.118 1.623 -0.096) 2.670 20.976 ( 1.989 3.146 0.852) 3.818 24.837 ( -0.159 -0.086 -0.005) 0.181 24.860 ( 0.208 0.330 -0.030) 0.391 32.478 ( 0.714 -1.770 -0.484) 1.968 32.504 ( -1.400 0.674 0.497) 1.631 43.327 ( -2.792 -7.496 -4.778) 9.318 43.696 ( -3.388 6.110 3.054) 7.625 44.949 ( 7.728 0.461 2.218) 8.054 45.661 ( -1.445 1.469 -0.658) 2.163 ======================= Grid point 236 (130/294) ======================= q-point: ( 0.17 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( 6.236 10.390 3.915) 12.735 3.340 ( 4.009 -4.178 -15.276) 16.337 4.110 ( -18.515 7.681 7.391) 21.364 4.761 ( -2.207 -6.372 -1.255) 6.859 5.005 ( -15.929 4.744 -1.727) 16.710 6.018 ( 17.979 9.277 8.669) 22.011 6.050 ( -0.402 -3.413 -8.637) 9.296 6.292 ( 0.690 -9.781 -13.200) 16.443 6.838 ( -2.827 15.036 -0.923) 15.328 7.177 ( 1.140 3.758 10.625) 11.328 7.763 ( -7.672 -1.855 -4.358) 9.016 8.536 ( 11.992 -5.644 6.952) 14.966 9.046 ( 5.271 1.642 0.463) 5.540 9.256 ( 1.335 -4.116 9.294) 10.252 9.776 ( -8.132 -4.120 -4.232) 10.050 10.509 ( 0.889 1.703 1.612) 2.508 10.788 ( 6.681 0.093 2.479) 7.126 11.276 ( -3.092 -3.619 1.420) 4.967 20.557 ( 2.796 1.947 1.029) 3.559 20.633 ( 1.228 -1.071 -1.122) 1.978 20.804 ( -2.229 -0.837 0.049) 2.382 21.018 ( -1.555 -2.614 -0.956) 3.188 24.839 ( 0.416 -0.183 0.178) 0.488 24.866 ( 0.159 -0.344 -0.030) 0.381 32.458 ( -0.585 1.128 0.501) 1.366 32.497 ( 0.408 0.078 -0.655) 0.776 43.168 ( 2.399 7.373 -4.892) 9.168 43.810 ( -2.589 -1.976 6.578) 7.340 44.777 ( -0.015 -2.002 -18.131) 18.241 45.685 ( -11.405 5.270 5.699) 13.796 ======================= Grid point 237 (131/294) ======================= q-point: ( 0.25 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( 4.945 22.426 -12.400) 26.099 3.451 ( 10.039 3.244 9.737) 14.356 4.077 ( 0.232 7.567 9.194) 11.910 4.435 ( -20.977 -12.657 4.155) 24.850 4.892 ( -7.568 12.061 -3.106) 14.574 5.904 ( -6.481 -3.428 -8.957) 11.575 6.062 ( -7.587 -10.799 -12.376) 18.093 6.415 ( 11.326 7.660 6.341) 15.072 6.896 ( -7.356 15.681 -3.177) 17.610 7.289 ( -0.843 -10.844 -1.689) 11.007 7.593 ( -0.966 12.529 2.019) 12.727 8.744 ( 10.833 -4.125 2.342) 11.826 9.131 ( 1.644 -1.101 2.973) 3.571 9.278 ( -1.228 -4.251 10.497) 11.391 9.620 ( 1.893 -5.987 -2.004) 6.591 10.553 ( 0.694 3.007 0.720) 3.169 10.957 ( 11.723 -0.433 1.473) 11.823 11.174 ( -3.243 -6.969 2.114) 7.972 20.641 ( 2.933 2.140 -0.671) 3.692 20.642 ( 2.152 -1.760 0.583) 2.841 20.753 ( -1.300 -1.816 -0.633) 2.322 20.947 ( -2.548 -2.927 -0.493) 3.911 24.844 ( 0.157 -0.232 0.402) 0.490 24.866 ( 0.402 -0.675 -0.081) 0.790 32.458 ( -1.023 1.253 0.606) 1.728 32.508 ( 0.856 0.334 -1.016) 1.370 43.271 ( 2.143 9.301 -4.400) 10.510 43.718 ( -8.581 -3.056 1.463) 9.226 44.677 ( -3.657 2.977 -6.764) 8.245 45.580 ( -6.231 4.538 -2.307) 8.046 ======================= Grid point 238 (132/294) ======================= q-point: ( 0.33 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.539 ( 8.241 15.207 3.274) 17.604 3.688 ( -9.623 3.710 9.171) 13.802 3.961 ( -7.722 3.325 6.191) 10.441 4.389 ( 15.841 4.383 7.182) 17.937 4.860 ( -8.775 11.717 -3.177) 14.980 5.526 ( -20.879 -11.772 -14.990) 28.270 5.821 ( -7.852 1.610 -8.751) 11.868 6.576 ( -6.373 6.105 7.291) 11.448 6.943 ( 0.907 3.548 -3.020) 4.747 6.996 ( -1.706 -6.478 -12.796) 14.444 7.974 ( 13.490 19.061 8.195) 24.749 8.789 ( 0.307 -6.135 1.061) 6.233 9.003 ( -10.650 -9.919 4.057) 15.109 9.335 ( 4.327 4.675 3.780) 7.407 9.709 ( 11.534 -7.404 2.825) 13.994 10.592 ( -0.746 4.286 -0.555) 4.386 11.022 ( -4.628 -7.636 2.846) 9.371 11.222 ( 17.797 -3.975 -1.362) 18.287 20.622 ( -0.396 -3.067 -0.605) 3.151 20.705 ( -0.085 -0.878 0.438) 0.985 20.740 ( 3.034 0.461 -1.721) 3.518 20.895 ( -0.382 -1.053 0.976) 1.486 24.843 ( -0.147 -0.468 0.496) 0.697 24.866 ( 0.521 -0.738 -0.095) 0.909 32.456 ( -0.818 0.840 0.448) 1.255 32.518 ( 0.314 0.589 -0.980) 1.186 43.338 ( -5.310 3.997 -0.728) 6.686 43.505 ( -7.783 1.711 -6.218) 10.108 44.618 ( -8.728 5.044 5.365) 11.419 45.581 ( 4.355 5.931 -8.440) 11.197 ======================= Grid point 239 (133/294) ======================= q-point: ( 0.42 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( -30.457 -9.625 9.128) 33.221 3.874 ( 5.257 13.322 16.164) 21.596 4.210 ( 9.201 6.169 -3.207) 11.533 4.734 ( 6.351 -1.360 6.829) 9.424 4.787 ( -11.838 10.680 -3.351) 16.292 4.994 ( -6.309 -2.936 -12.516) 14.321 5.682 ( -7.549 6.216 -8.094) 12.695 6.449 ( -14.173 0.157 5.913) 15.358 6.822 ( 6.683 -7.752 -8.805) 13.502 7.196 ( 9.660 12.997 -5.884) 17.229 8.370 ( 8.978 3.468 6.131) 11.412 8.663 ( -14.375 0.620 1.603) 14.478 8.799 ( 1.715 -4.280 5.465) 7.151 9.492 ( 3.050 8.484 2.836) 9.451 9.810 ( 8.705 -10.952 0.170) 13.992 10.609 ( -1.142 3.842 -0.886) 4.104 10.859 ( -6.182 -6.849 0.990) 9.280 11.474 ( 17.736 -7.068 -3.695) 19.447 20.575 ( -0.755 -3.357 -0.725) 3.516 20.661 ( -2.432 -1.010 0.312) 2.652 20.805 ( 3.261 1.502 -1.515) 3.897 20.920 ( 2.504 -0.387 1.592) 2.992 24.836 ( -0.227 -0.649 0.461) 0.828 24.867 ( 0.377 -0.593 -0.069) 0.706 32.452 ( -0.466 0.269 0.229) 0.584 32.520 ( -0.295 0.806 -0.728) 1.126 43.102 ( -15.117 -0.635 -2.659) 15.362 43.528 ( 2.328 4.799 -0.596) 5.368 44.514 ( -11.446 4.457 5.178) 13.329 45.743 ( 9.856 7.483 -7.177) 14.305 ======================= Grid point 240 (134/294) ======================= q-point: ( 0.50 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -26.943 -2.516 12.068) 29.630 4.063 ( -0.793 -1.619 -6.991) 7.220 4.221 ( -1.323 -5.350 -5.273) 7.628 4.458 ( -9.807 5.688 11.879) 16.420 4.885 ( 2.094 5.735 1.306) 6.244 5.222 ( 17.012 0.662 2.271) 17.176 5.609 ( -6.238 9.997 -6.052) 13.246 6.221 ( -10.457 -5.045 3.299) 12.070 6.897 ( 7.473 1.744 -5.946) 9.708 7.451 ( 9.399 8.860 -4.400) 13.645 8.297 ( -13.206 3.250 -5.184) 14.555 8.481 ( 0.664 -18.208 9.589) 20.589 9.021 ( 5.638 14.082 5.054) 15.988 9.621 ( -0.044 10.587 0.989) 10.634 9.771 ( 3.706 -16.220 -3.300) 16.962 10.631 ( 0.132 2.355 0.822) 2.497 10.709 ( -4.253 -3.762 -0.552) 5.705 11.633 ( 10.352 -5.048 -5.296) 12.677 20.530 ( -0.409 -2.448 -0.543) 2.541 20.622 ( -1.807 0.064 0.666) 1.927 20.862 ( 2.427 1.875 -1.811) 3.562 20.963 ( 1.546 -0.813 1.814) 2.518 24.828 ( -0.160 -0.641 0.331) 0.739 24.867 ( 0.177 -0.318 -0.035) 0.366 32.448 ( -0.001 -0.192 -0.009) 0.192 32.518 ( -0.577 0.972 -0.330) 1.177 42.877 ( -8.643 0.378 -1.005) 8.709 43.606 ( 1.688 0.822 5.226) 5.553 44.395 ( -7.783 3.312 0.009) 8.458 45.944 ( 6.859 7.353 -3.270) 10.574 ======================= Grid point 241 (135/294) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -8.959 7.388 12.941) 17.387 3.792 ( -5.750 -13.544 -24.241) 28.357 4.196 ( 5.659 1.738 1.496) 6.106 4.634 ( 2.013 7.760 22.634) 24.012 4.920 ( -0.872 -1.142 -0.696) 1.596 5.453 ( 4.235 -2.167 6.438) 8.005 5.586 ( 0.550 3.844 -4.981) 6.316 6.068 ( -0.577 -5.872 0.530) 5.924 6.992 ( 2.226 3.346 -2.508) 4.738 7.612 ( 2.617 3.137 -2.409) 4.742 8.137 ( -10.428 17.155 -7.628) 21.476 8.405 ( 6.175 -17.408 9.029) 20.559 9.078 ( -3.906 -9.720 -5.372) 11.772 9.633 ( 3.327 -15.905 -4.680) 16.910 9.757 ( -1.679 16.937 3.073) 17.295 10.637 ( -0.366 0.014 -0.502) 0.622 10.673 ( 0.784 0.518 1.960) 2.174 11.684 ( 0.549 2.412 -5.314) 5.862 20.516 ( 1.166 -0.985 -0.109) 1.530 20.604 ( -1.002 0.717 0.385) 1.291 20.902 ( 0.616 2.319 -1.809) 3.005 20.967 ( -0.980 -1.379 1.972) 2.598 24.822 ( 0.017 -0.502 0.117) 0.515 24.867 ( 0.006 0.026 -0.001) 0.027 32.448 ( 0.304 -0.403 -0.070) 0.510 32.519 ( -0.312 0.950 -0.019) 1.000 42.819 ( 1.405 0.541 1.477) 2.109 43.655 ( 0.174 -1.487 8.920) 9.044 44.321 ( -1.500 0.009 -4.044) 4.314 46.068 ( 0.030 6.321 0.586) 6.348 ======================= Grid point 242 (136/294) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 10.979 14.857 10.204) 21.104 3.434 ( -0.919 -18.230 -25.114) 31.047 4.427 ( 11.760 2.838 3.740) 12.662 4.740 ( -7.813 -1.056 7.695) 11.016 4.883 ( 2.546 -4.937 4.698) 7.275 5.403 ( -9.423 4.039 14.517) 17.772 5.665 ( 9.195 -5.662 -3.442) 11.334 6.121 ( 12.657 -5.184 -1.549) 13.765 7.005 ( -3.829 3.953 0.267) 5.510 7.557 ( -7.533 -1.517 1.009) 7.751 8.215 ( -2.508 22.229 -6.159) 23.202 8.448 ( 8.410 -8.366 3.918) 12.493 8.764 ( -1.257 -25.471 -9.204) 27.112 9.495 ( -0.388 -12.663 -5.586) 13.846 9.866 ( -7.119 14.759 1.648) 16.469 10.660 ( 1.751 -0.113 0.539) 1.836 10.709 ( 2.821 0.658 0.497) 2.940 11.638 ( -9.934 8.918 -4.477) 14.080 20.551 ( 2.459 1.155 0.581) 2.778 20.606 ( 0.312 0.965 -0.156) 1.026 20.905 ( -1.912 2.368 -1.596) 3.436 20.926 ( -2.876 -1.779 2.011) 3.935 24.820 ( 0.253 -0.336 -0.129) 0.440 24.868 ( -0.154 0.337 0.012) 0.371 32.449 ( 0.355 -0.520 0.048) 0.632 32.527 ( 0.182 0.769 0.161) 0.807 42.943 ( 10.342 0.456 3.003) 10.779 43.685 ( -0.508 -1.599 10.092) 10.231 44.292 ( 4.064 -5.053 -6.288) 9.033 46.078 ( -6.660 5.173 4.335) 9.482 ======================= Grid point 243 (137/294) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( 10.107 6.298 -6.167) 13.411 3.227 ( 18.015 -11.714 -10.985) 24.134 4.379 ( -13.184 -13.520 3.902) 19.283 4.591 ( -7.457 -6.017 -0.901) 9.624 4.908 ( 3.233 -3.363 4.306) 6.349 5.553 ( 7.008 10.319 15.642) 20.006 5.775 ( 11.872 -2.953 0.141) 12.235 6.317 ( 14.811 -5.790 -1.525) 15.976 6.975 ( -4.636 6.043 1.210) 7.712 7.406 ( -7.779 -2.784 5.129) 9.724 8.129 ( -10.870 -13.465 -7.183) 18.736 8.561 ( 8.614 10.310 -7.409) 15.342 8.709 ( 12.562 -7.988 3.565) 15.308 9.307 ( -3.250 -10.658 -7.658) 13.520 9.827 ( -13.195 13.478 0.755) 18.877 10.661 ( 0.505 -4.229 1.349) 4.468 10.808 ( 5.621 4.029 -2.063) 7.217 11.459 ( -18.040 8.308 -4.022) 20.264 20.604 ( -0.193 3.517 0.929) 3.642 20.649 ( 3.748 0.894 -0.393) 3.873 20.864 ( -3.391 -1.528 2.144) 4.293 20.872 ( -2.881 1.777 -1.363) 3.649 24.823 ( 0.451 -0.259 -0.351) 0.627 24.868 ( -0.312 0.548 0.011) 0.631 32.450 ( 0.430 -0.775 0.104) 0.892 32.539 ( 0.173 0.579 0.383) 0.715 43.172 ( 12.517 -0.264 1.936) 12.668 43.716 ( -0.396 -1.220 10.387) 10.466 44.301 ( 9.644 -8.304 -7.783) 14.918 46.005 ( -10.344 4.424 7.903) 13.749 ======================= Grid point 244 (138/294) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 13.786 -14.523 -16.119) 25.706 3.600 ( 19.463 -7.766 -0.415) 20.959 4.081 ( -4.437 -4.145 8.271) 10.261 4.320 ( -16.996 -2.480 3.741) 17.579 4.949 ( 3.965 -4.911 1.617) 6.516 5.773 ( 7.114 3.371 -4.210) 8.927 6.068 ( 13.504 2.688 8.211) 16.031 6.427 ( 4.733 -6.400 -0.678) 7.989 7.013 ( 0.849 5.993 1.805) 6.316 7.307 ( -4.906 -2.518 2.298) 5.974 7.761 ( -5.706 -16.782 -0.752) 17.741 8.776 ( 7.108 7.205 -8.274) 13.073 8.825 ( 5.319 -8.382 0.630) 9.947 9.149 ( -2.262 -0.045 -3.867) 4.480 9.734 ( -12.912 13.644 3.018) 19.025 10.615 ( -1.022 -4.510 0.527) 4.655 10.941 ( 4.612 5.278 -2.276) 7.369 11.177 ( -16.633 3.708 -3.547) 17.407 20.629 ( -1.214 2.477 -0.443) 2.794 20.693 ( 0.146 0.168 0.107) 0.247 20.803 ( -4.439 1.461 1.405) 4.880 20.878 ( 2.893 1.635 0.430) 3.351 24.826 ( 0.519 -0.314 -0.502) 0.787 24.868 ( -0.409 0.646 0.020) 0.765 32.449 ( 0.535 -1.149 -0.022) 1.268 32.545 ( -0.445 0.445 0.672) 0.920 43.314 ( 5.088 -4.033 -2.095) 6.822 43.756 ( -0.178 -0.523 9.239) 9.256 44.412 ( 17.053 -6.789 -7.517) 19.834 45.915 ( -10.395 4.547 10.746) 15.627 ======================= Grid point 245 (139/294) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( 5.385 -19.409 -11.926) 23.408 3.762 ( 19.574 -13.948 13.622) 27.627 4.013 ( -12.877 -4.847 5.782) 14.924 4.357 ( 12.648 17.190 -0.366) 21.345 4.978 ( 4.887 -4.845 1.445) 7.032 5.877 ( 4.769 3.509 -10.373) 11.944 6.118 ( -4.723 -11.259 -7.317) 14.234 6.468 ( 1.137 7.065 7.499) 10.366 7.050 ( -6.889 -2.679 -7.670) 10.652 7.109 ( -2.505 -8.357 4.126) 9.651 7.761 ( 7.358 1.676 9.562) 12.181 8.642 ( -6.164 -11.304 -4.587) 13.668 8.911 ( 8.185 -3.509 -11.241) 14.341 9.151 ( -5.850 7.900 6.276) 11.663 9.744 ( -1.302 10.437 4.149) 11.306 10.559 ( -1.790 -2.245 1.195) 3.110 10.872 ( -8.531 -3.171 -2.915) 9.557 11.140 ( 2.170 10.429 -0.578) 10.668 20.583 ( -2.776 -1.567 -1.837) 3.679 20.693 ( -2.121 1.390 1.402) 2.898 20.778 ( -0.510 2.058 0.710) 2.236 20.970 ( 3.171 3.284 0.858) 4.645 24.828 ( 0.471 -0.395 -0.513) 0.800 24.867 ( -0.373 0.600 0.028) 0.707 32.446 ( 0.647 -1.341 -0.245) 1.509 32.539 ( -1.215 0.374 0.877) 1.544 43.263 ( -0.967 -6.585 -5.024) 8.339 43.789 ( -0.660 -0.090 7.096) 7.127 44.640 ( 18.923 -4.546 -9.114) 21.490 45.858 ( -9.267 5.708 12.516) 16.587 ======================= Grid point 248 (140/294) ======================= q-point: ( 0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 23.457 -3.956 0.418) 23.792 3.448 ( -16.716 5.464 -14.021) 22.492 4.445 ( -7.305 1.710 5.533) 9.322 4.619 ( 9.809 -8.374 0.494) 12.907 5.112 ( 3.657 -4.135 0.207) 5.524 5.823 ( 11.096 -0.719 -4.576) 12.024 5.954 ( 7.234 6.601 -3.048) 10.256 6.226 ( -8.596 -1.097 -10.316) 13.472 6.925 ( 0.525 4.592 0.760) 4.684 7.238 ( 2.954 -0.791 14.381) 14.703 8.068 ( -15.159 14.888 2.427) 21.386 8.272 ( 10.260 -10.665 0.653) 14.813 8.906 ( 12.842 3.813 -8.066) 15.637 9.157 ( 3.286 -10.784 7.526) 13.555 9.914 ( -11.269 -0.600 -1.431) 11.375 10.568 ( -1.921 4.721 2.784) 5.808 10.700 ( 4.436 -0.933 1.449) 4.759 11.358 ( -8.718 -2.934 4.812) 10.381 20.549 ( 1.664 3.405 0.381) 3.809 20.629 ( -1.930 -0.074 -0.663) 2.042 20.842 ( -2.303 -0.378 1.008) 2.542 21.011 ( -1.671 -2.762 -1.281) 3.473 24.824 ( 0.850 -0.348 -0.268) 0.957 24.868 ( -0.388 0.029 0.012) 0.389 32.456 ( 1.306 0.397 -0.206) 1.380 32.516 ( -1.551 0.669 0.587) 1.788 43.159 ( 4.349 7.267 -5.135) 9.904 43.823 ( 1.127 -5.461 8.791) 10.410 44.559 ( 8.248 -3.444 -20.458) 22.326 46.012 ( -14.317 4.097 9.716) 17.781 ======================= Grid point 249 (141/294) ======================= q-point: ( 0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( 20.500 -1.350 -2.817) 20.737 3.330 ( 3.807 17.987 -9.422) 20.659 4.374 ( -9.480 6.858 11.713) 16.556 4.560 ( -6.708 -11.220 1.281) 13.134 5.052 ( -3.647 -1.460 -1.265) 4.127 5.861 ( 3.881 -14.792 -9.189) 17.841 5.981 ( -4.362 8.369 -10.596) 14.189 6.341 ( 10.711 10.568 4.865) 15.814 6.960 ( 1.258 -0.646 -1.436) 2.015 7.353 ( 1.287 3.964 6.258) 7.519 7.901 ( -19.794 14.959 -1.166) 24.839 8.413 ( 15.617 -10.291 2.683) 18.894 9.080 ( 4.068 1.010 -0.289) 4.202 9.201 ( 9.410 -8.711 7.794) 15.006 9.663 ( -10.840 -3.357 -2.819) 11.693 10.597 ( -1.055 4.071 2.526) 4.905 10.810 ( 6.889 0.419 0.628) 6.930 11.196 ( -5.998 -7.106 3.400) 9.901 20.606 ( 0.182 -0.474 -0.733) 0.892 20.625 ( 2.217 3.473 0.557) 4.158 20.783 ( -3.588 -1.500 0.427) 3.913 20.945 ( -1.437 -3.176 -1.038) 3.637 24.835 ( 0.746 -0.199 -0.104) 0.779 24.861 ( -0.329 -0.224 0.037) 0.400 32.481 ( 1.277 0.419 -0.395) 1.401 32.502 ( -1.375 0.979 0.456) 1.748 43.289 ( 3.823 8.650 -4.529) 10.486 43.802 ( -3.727 -4.198 5.507) 7.864 44.583 ( 8.126 0.761 -13.940) 16.154 45.821 ( -14.886 1.779 4.881) 15.766 ======================= Grid point 250 (142/294) ======================= q-point: ( 0.33 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.397 ( 16.533 8.315 -5.776) 19.387 3.744 ( 14.376 13.673 3.934) 20.226 4.247 ( -15.568 -6.042 3.704) 17.105 4.397 ( -3.083 7.158 12.585) 14.803 4.985 ( -1.165 -2.617 -3.203) 4.297 5.597 ( -10.280 -14.076 -8.334) 19.320 5.968 ( -5.917 13.712 -9.264) 17.575 6.606 ( 6.730 3.734 3.879) 8.619 6.871 ( -5.387 -10.352 -2.319) 11.898 7.273 ( -16.204 10.983 -4.770) 20.148 7.957 ( 8.190 16.061 4.172) 18.505 8.535 ( 11.434 -15.220 0.298) 19.039 9.110 ( -5.524 -7.600 7.861) 12.250 9.226 ( 5.956 -2.372 -3.720) 7.412 9.610 ( 4.163 2.412 3.984) 6.247 10.642 ( -0.123 4.211 1.158) 4.369 10.932 ( 7.909 -2.837 -0.846) 8.445 11.057 ( -2.876 -6.450 1.826) 7.294 20.603 ( 0.151 -1.024 -0.509) 1.153 20.693 ( 2.223 1.762 0.311) 2.854 20.713 ( -2.128 -1.398 -0.416) 2.580 20.899 ( -0.721 -1.381 0.078) 1.560 24.843 ( 0.246 -0.030 0.042) 0.251 24.853 ( -0.001 -0.497 -0.009) 0.497 32.488 ( -1.475 0.950 0.447) 1.811 32.505 ( 1.146 0.254 -0.578) 1.308 43.403 ( 2.410 6.669 -2.376) 7.479 43.643 ( -10.880 -3.429 -1.458) 11.500 44.711 ( 5.858 5.143 -1.770) 7.994 45.626 ( -8.736 1.027 -0.400) 8.805 ======================= Grid point 251 (143/294) ======================= q-point: ( 0.42 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( -13.162 -4.663 11.878) 18.332 3.853 ( 7.877 9.976 -8.626) 15.362 4.245 ( 0.728 8.371 9.687) 12.824 4.576 ( 9.646 5.733 7.885) 13.715 4.914 ( 1.896 -7.357 -4.922) 9.052 5.168 ( -21.128 -6.938 -5.869) 22.999 5.924 ( -10.772 15.281 -6.256) 19.715 6.479 ( -8.547 -14.666 -3.510) 17.334 6.798 ( 0.374 2.554 1.782) 3.136 7.219 ( -0.726 14.233 -6.133) 15.515 8.246 ( 6.271 -5.215 8.433) 11.733 8.622 ( 14.912 -3.123 -0.880) 15.261 8.873 ( -11.415 -4.087 0.171) 12.126 9.389 ( 10.928 0.316 -2.339) 11.180 9.730 ( 1.647 3.097 5.565) 6.578 10.667 ( -1.690 3.308 -0.363) 3.732 10.881 ( -4.063 -7.685 0.792) 8.729 11.130 ( 13.562 -2.713 -3.191) 14.194 20.569 ( -1.885 -1.819 -0.030) 2.619 20.683 ( -0.720 0.038 -0.531) 0.896 20.751 ( 3.290 0.812 -0.617) 3.444 20.898 ( 0.860 0.081 1.241) 1.512 24.839 ( -0.422 -0.310 0.131) 0.540 24.855 ( 0.480 -0.224 -0.061) 0.533 32.471 ( -1.320 0.165 0.191) 1.344 32.523 ( 0.621 0.619 -0.327) 0.936 43.343 ( -15.030 -0.800 -2.533) 15.263 43.518 ( 2.724 1.780 0.331) 3.270 44.760 ( -7.725 4.018 3.201) 9.277 45.617 ( 6.726 3.818 -2.404) 8.099 ======================= Grid point 252 (144/294) ======================= q-point: (-0.50 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( -27.537 3.198 17.072) 32.557 3.965 ( 0.267 -2.359 -17.796) 17.953 4.274 ( -6.629 -0.912 3.931) 7.761 4.710 ( -4.944 -7.222 8.108) 11.931 4.846 ( 4.121 4.264 1.691) 6.166 4.987 ( 6.543 0.540 0.707) 6.604 5.877 ( -9.912 15.514 -2.546) 18.585 6.193 ( -4.181 -15.566 -4.947) 16.860 6.861 ( 2.233 6.251 -0.468) 6.654 7.387 ( 6.558 10.646 -4.149) 13.174 8.202 ( 3.642 -20.832 8.693) 22.865 8.579 ( -10.589 -2.460 -2.541) 11.164 9.000 ( 11.265 9.598 0.433) 14.806 9.486 ( 4.644 -7.804 -5.415) 10.573 9.793 ( -0.855 7.621 2.586) 8.093 10.663 ( -1.109 1.621 0.560) 2.043 10.742 ( -4.350 -4.434 -0.007) 6.211 11.350 ( 15.693 -0.365 -5.277) 16.560 20.518 ( -1.649 -1.646 -0.233) 2.342 20.673 ( -1.606 1.940 0.199) 2.526 20.816 ( 3.625 1.048 -1.212) 3.964 20.933 ( 1.995 -0.243 1.896) 2.763 24.828 ( -0.358 -0.426 0.044) 0.558 24.861 ( 0.316 0.057 -0.016) 0.322 32.451 ( -0.768 -0.418 -0.096) 0.880 32.534 ( -0.064 0.871 0.105) 0.880 43.061 ( -13.646 -1.083 -1.660) 13.789 43.593 ( 2.983 -1.050 5.500) 6.344 44.600 ( -12.526 1.129 -0.137) 12.578 45.842 ( 11.386 5.970 1.008) 12.895 ======================= Grid point 253 (145/294) ======================= q-point: (-0.42 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( -25.553 11.720 19.989) 34.495 3.681 ( -10.230 -9.650 -22.722) 26.722 4.166 ( -0.548 -0.762 1.306) 1.608 4.695 ( 4.088 -9.644 10.420) 14.775 4.965 ( -3.145 6.819 7.255) 10.442 5.155 ( 15.772 -7.573 -2.264) 17.642 5.818 ( -11.310 10.141 2.206) 15.350 5.998 ( -1.081 -10.319 -2.320) 10.632 6.978 ( 3.940 6.100 -2.976) 7.848 7.568 ( 5.639 6.918 -3.684) 9.656 8.124 ( 7.723 -23.360 10.971) 26.939 8.408 ( -8.543 8.708 -6.550) 13.846 9.017 ( -7.791 -14.865 -7.791) 18.503 9.433 ( 3.532 -5.738 -2.000) 7.028 9.926 ( 1.789 14.474 -0.007) 14.584 10.648 ( -1.567 -1.407 0.075) 2.107 10.682 ( -0.489 0.220 1.652) 1.737 11.602 ( 12.088 7.884 -6.071) 15.657 20.485 ( -0.183 -1.006 -0.368) 1.087 20.668 ( -2.303 3.480 0.497) 4.202 20.882 ( 3.014 1.713 -1.387) 3.734 20.966 ( 0.893 -1.032 2.314) 2.687 24.819 ( -0.186 -0.400 -0.141) 0.463 24.867 ( 0.162 0.342 0.004) 0.378 32.438 ( -0.005 -0.575 -0.248) 0.626 32.539 ( -0.557 0.868 0.471) 1.134 42.865 ( -6.643 -1.479 0.887) 6.864 43.653 ( 2.290 -3.989 9.503) 10.558 44.394 ( -9.362 -1.474 -3.655) 10.157 46.080 ( 6.799 5.649 4.288) 9.825 ======================= Grid point 254 (146/294) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( -8.965 14.062 14.195) 21.900 3.256 ( -12.552 -9.353 -19.665) 25.134 4.284 ( 9.360 1.702 4.318) 10.448 4.686 ( 5.620 -17.893 -0.020) 18.755 4.922 ( -8.203 -2.007 9.350) 12.599 5.310 ( 14.920 -12.211 -2.918) 19.500 5.778 ( -10.589 11.040 12.768) 19.926 5.925 ( 3.448 -2.626 -1.157) 4.485 7.047 ( 1.149 1.447 -3.567) 4.017 7.642 ( -0.808 1.532 -2.779) 3.274 8.149 ( 14.630 -19.408 7.907) 25.559 8.403 ( -2.152 9.842 -7.036) 12.289 8.558 ( -12.681 -17.147 -10.156) 23.622 9.389 ( -0.978 -6.308 -3.490) 7.275 10.084 ( -1.047 13.360 -0.162) 13.402 10.634 ( 0.947 -1.077 0.642) 1.571 10.678 ( 0.229 -1.048 0.000) 1.073 11.824 ( 1.591 16.336 -5.805) 17.410 20.497 ( 2.452 0.169 -0.284) 2.474 20.669 ( -2.418 4.377 0.490) 5.025 20.927 ( 0.551 1.700 -1.503) 2.335 20.963 ( -1.130 -1.246 2.750) 3.224 24.813 ( 0.058 -0.309 -0.407) 0.514 24.874 ( 0.006 0.587 -0.024) 0.588 32.436 ( 0.462 -0.457 -0.206) 0.681 32.540 ( -0.507 0.643 0.656) 1.049 42.828 ( 3.345 -2.066 3.142) 5.033 43.695 ( 1.695 -5.497 11.693) 13.031 44.216 ( -4.437 -4.929 -5.999) 8.943 46.218 ( -0.284 4.460 7.243) 8.511 ======================= Grid point 255 (147/294) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 0.447 -19.488 -25.837) 32.366 3.175 ( -1.383 17.793 14.745) 23.150 4.385 ( -2.324 -15.956 -0.612) 16.136 4.534 ( 3.102 -9.161 1.717) 9.823 4.846 ( -0.025 -6.602 6.142) 9.018 5.419 ( 15.207 -12.442 -6.019) 20.550 5.808 ( -6.431 10.948 21.145) 24.664 6.064 ( 9.466 3.227 0.791) 10.032 7.024 ( 0.121 -3.165 -2.398) 3.973 7.557 ( -3.768 -6.021 -3.157) 7.772 7.983 ( -7.302 -25.045 -7.349) 27.104 8.389 ( 13.923 -2.240 3.344) 14.493 8.575 ( 2.543 12.254 -4.247) 13.217 9.261 ( -3.252 -5.062 -5.215) 7.962 10.137 ( -6.736 11.641 -0.293) 13.452 10.617 ( 0.072 -5.051 1.771) 5.353 10.726 ( 5.429 2.508 -2.771) 6.591 11.862 ( -14.429 17.703 -6.031) 23.621 20.572 ( 4.998 1.848 -0.133) 5.330 20.679 ( -2.007 4.851 0.484) 5.272 20.898 ( -2.932 -1.363 0.687) 3.305 20.950 ( -2.251 1.374 0.898) 2.786 24.811 ( 0.304 -0.245 -0.695) 0.797 24.879 ( -0.168 0.726 -0.079) 0.749 32.439 ( 0.311 -0.344 -0.046) 0.466 32.544 ( 0.015 0.347 0.732) 0.810 42.961 ( 11.481 -2.161 3.531) 12.204 43.728 ( 1.566 -6.222 12.655) 14.189 44.083 ( 1.120 -7.838 -8.112) 11.335 46.241 ( -6.451 3.327 10.332) 12.627 ======================= Grid point 256 (148/294) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 13.081 -18.999 -19.810) 30.406 3.321 ( 3.042 -10.053 2.995) 10.922 4.134 ( -5.172 -8.120 8.306) 12.714 4.534 ( -2.637 2.118 0.429) 3.409 4.822 ( 2.480 -8.443 4.412) 9.844 5.537 ( 15.596 -9.883 -8.020) 20.130 5.978 ( 2.999 4.353 13.326) 14.336 6.256 ( 8.980 0.566 2.371) 9.305 7.010 ( 2.746 -2.973 1.486) 4.311 7.341 ( -1.041 -20.713 -10.584) 23.284 7.725 ( -6.792 2.149 5.803) 9.188 8.603 ( 7.114 -6.866 -0.572) 9.903 8.661 ( 5.233 4.267 -7.778) 10.300 9.186 ( -0.299 2.881 -1.955) 3.494 10.107 ( -9.840 11.176 2.457) 15.092 10.580 ( 0.398 -4.019 0.916) 4.141 10.864 ( 7.626 4.035 -2.627) 9.019 11.617 ( -26.273 13.240 -6.030) 30.032 20.671 ( 1.487 2.045 -0.776) 2.645 20.702 ( -0.526 4.856 0.295) 4.893 20.852 ( -0.067 -0.496 2.250) 2.305 20.910 ( -4.232 1.510 0.404) 4.511 24.811 ( 0.472 -0.300 -0.908) 1.067 24.881 ( -0.330 0.737 -0.110) 0.815 32.437 ( -0.040 -0.419 0.025) 0.422 32.553 ( 0.211 0.126 0.876) 0.910 43.149 ( 9.499 -3.298 0.081) 10.055 43.760 ( 2.049 -7.071 13.147) 15.068 44.047 ( 10.233 -7.208 -9.967) 16.000 46.194 ( -9.272 3.252 13.555) 16.742 ======================= Grid point 257 (149/294) ======================= q-point: (-0.08 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 14.504 -17.313 -12.900) 26.010 3.246 ( 17.877 -25.539 7.382) 32.036 4.112 ( -1.070 -0.819 3.367) 3.626 4.549 ( -6.791 15.120 6.571) 17.830 4.816 ( 5.276 -9.755 3.700) 11.692 5.659 ( 13.131 -6.829 -10.192) 17.970 6.014 ( 0.726 -8.282 -6.442) 10.518 6.433 ( 8.499 -0.058 6.913) 10.956 6.966 ( 2.267 -18.159 -7.869) 19.920 7.177 ( -2.703 1.530 9.239) 9.747 7.801 ( 1.116 13.768 5.310) 14.799 8.464 ( 0.044 -15.138 -10.558) 18.456 8.771 ( 3.394 3.736 -9.253) 10.540 9.251 ( 1.565 1.335 4.949) 5.359 10.050 ( -11.527 9.793 6.141) 16.324 10.566 ( 0.137 -0.706 1.011) 1.241 10.946 ( -3.028 -2.254 -4.922) 6.203 11.329 ( -13.498 16.096 0.161) 21.007 20.624 ( -4.250 -0.665 -1.992) 4.741 20.749 ( -0.666 3.855 1.566) 4.214 20.846 ( -4.270 1.278 1.054) 4.580 20.939 ( 4.658 3.176 1.151) 5.754 24.811 ( 0.573 -0.450 -0.947) 1.195 24.881 ( -0.434 0.642 -0.099) 0.781 32.431 ( -0.106 -0.528 -0.030) 0.540 32.559 ( -0.297 -0.022 1.034) 1.076 43.174 ( 1.253 -5.963 -4.746) 7.724 43.791 ( 1.907 -6.576 10.755) 12.749 44.199 ( 19.002 -4.866 -10.867) 22.424 46.152 ( -9.019 4.961 16.169) 19.167 ======================= Grid point 260 (150/294) ======================= q-point: ( 0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 24.115 -5.110 2.480) 24.775 3.682 ( -10.449 -6.476 -13.298) 18.109 4.327 ( 13.535 1.636 3.190) 14.002 4.475 ( 2.868 -2.243 4.125) 5.502 4.907 ( 11.913 -6.349 3.516) 13.950 5.493 ( 17.794 -4.924 -11.469) 21.735 6.030 ( -2.186 10.820 2.538) 11.326 6.332 ( -7.545 -3.585 -8.274) 11.757 6.914 ( 9.565 0.332 6.365) 11.494 7.240 ( -0.249 -2.326 8.818) 9.123 7.924 ( 12.311 -7.251 -3.280) 14.660 8.491 ( -13.742 7.598 -0.511) 15.711 8.655 ( 11.571 3.014 -8.757) 14.820 9.098 ( -1.214 -3.060 4.342) 5.449 10.118 ( -10.056 3.240 0.557) 10.579 10.626 ( 3.230 -0.903 0.303) 3.368 10.661 ( -1.055 4.641 1.562) 5.009 11.590 ( -18.043 -3.493 9.751) 20.805 20.573 ( 0.382 4.850 -0.213) 4.870 20.686 ( -4.456 0.245 0.063) 4.463 20.879 ( -1.701 -0.430 1.187) 2.118 21.009 ( -2.057 -2.592 -1.794) 3.764 24.803 ( 1.040 -0.356 -0.253) 1.128 24.878 ( -0.571 0.161 -0.018) 0.593 32.439 ( 0.702 0.211 -0.024) 0.733 32.549 ( -0.983 0.552 0.459) 1.217 43.101 ( 6.845 5.695 -5.141) 10.282 43.767 ( 4.155 -6.242 10.444) 12.857 44.247 ( 11.287 -3.858 -17.949) 21.551 46.329 ( -12.903 2.702 6.749) 14.810 ======================= Grid point 261 (151/294) ======================= q-point: ( 0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 25.634 2.210 3.139) 25.920 3.441 ( -5.211 9.923 -12.733) 16.963 4.442 ( 2.393 -7.763 0.013) 8.123 4.541 ( 4.069 -3.764 4.887) 7.390 5.004 ( 2.620 -5.132 -0.700) 5.804 5.633 ( 6.746 -3.939 -3.423) 8.528 6.068 ( -0.599 4.881 -4.104) 6.405 6.315 ( 5.207 11.914 -2.797) 13.300 6.980 ( -3.033 1.230 0.505) 3.312 7.325 ( 4.523 -4.270 10.267) 12.004 8.045 ( 12.407 -9.643 -3.468) 16.092 8.389 ( -10.817 12.742 2.944) 16.972 8.880 ( 17.610 -4.328 -0.872) 18.155 9.078 ( -1.851 1.935 1.103) 2.896 9.872 ( -17.692 -1.721 -2.391) 17.935 10.656 ( 1.035 -0.747 1.453) 1.934 10.744 ( 2.197 6.002 1.675) 6.607 11.286 ( -11.938 -10.093 6.058) 16.766 20.624 ( -2.634 0.101 -0.260) 2.649 20.637 ( 1.144 4.354 0.301) 4.512 20.836 ( -3.235 -1.098 0.954) 3.547 20.931 ( -1.730 -3.081 -1.913) 4.019 24.817 ( 0.976 -0.131 -0.050) 0.986 24.868 ( -0.579 0.009 0.000) 0.579 32.456 ( 1.268 -0.136 -0.212) 1.292 32.540 ( -1.238 1.017 0.325) 1.635 43.253 ( 6.145 5.328 -3.444) 8.833 43.835 ( 0.598 -1.431 8.462) 8.603 44.324 ( 12.249 -0.930 -14.127) 18.721 46.119 ( -15.280 -0.096 2.346) 15.460 ======================= Grid point 262 (152/294) ======================= q-point: ( 0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 19.010 5.071 1.898) 19.766 3.654 ( 13.646 20.433 -2.696) 24.718 4.308 ( -4.704 -11.076 -2.916) 12.382 4.566 ( 1.580 -3.429 1.579) 4.092 4.908 ( -4.477 -5.772 -1.021) 7.376 5.612 ( -4.514 -4.312 2.342) 6.667 6.137 ( -0.154 12.966 -6.332) 14.430 6.524 ( 7.683 2.945 2.056) 8.481 6.895 ( -6.117 -1.481 -1.775) 6.539 7.406 ( 3.547 -4.840 4.221) 7.337 8.065 ( 4.282 -1.248 -6.505) 7.887 8.382 ( -8.873 9.624 5.332) 14.134 9.067 ( 7.847 -10.215 12.372) 17.860 9.108 ( 2.234 0.881 -8.316) 8.655 9.599 ( -4.045 0.522 -2.719) 4.901 10.682 ( 1.231 0.618 1.719) 2.203 10.829 ( 1.622 2.390 0.006) 2.888 11.070 ( -5.309 -8.609 3.170) 10.599 20.597 ( -0.504 0.140 -0.335) 0.621 20.687 ( 0.843 1.612 0.306) 1.845 20.756 ( -4.181 -1.535 0.333) 4.467 20.892 ( -0.021 -0.393 -0.951) 1.029 24.832 ( 0.803 0.026 0.020) 0.804 24.858 ( -0.593 -0.130 -0.004) 0.607 32.478 ( 1.603 -0.082 -0.264) 1.626 32.526 ( -1.576 0.663 0.209) 1.723 43.373 ( 4.914 2.100 -0.900) 5.419 43.785 ( -7.916 -0.643 -0.043) 7.942 44.549 ( 15.368 5.405 -3.048) 16.573 45.844 ( -15.081 -1.722 -0.516) 15.188 ======================= Grid point 263 (153/294) ======================= q-point: ( 0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.546 ( 17.431 6.579 4.812) 19.242 3.919 ( -6.305 0.756 -4.412) 7.733 4.261 ( 11.396 9.197 -0.629) 14.658 4.551 ( 5.182 -9.056 -5.832) 11.953 4.770 ( -5.972 -4.350 4.970) 8.904 5.428 ( -14.483 0.417 2.944) 14.785 6.186 ( -5.807 8.119 -2.507) 10.292 6.573 ( -7.451 -4.732 -0.884) 8.870 6.763 ( -0.858 -1.653 2.401) 3.039 7.330 ( -3.752 -3.238 -1.007) 5.057 8.266 ( -3.266 -8.536 3.390) 9.748 8.299 ( 12.456 14.003 -2.315) 18.884 8.948 ( -4.679 -8.917 -3.666) 10.716 9.234 ( 8.224 2.229 3.583) 9.243 9.706 ( 7.431 4.687 -0.799) 8.822 10.721 ( 0.426 1.368 0.914) 1.700 10.841 ( 0.210 -3.033 -0.919) 3.176 10.960 ( 0.621 -4.788 0.096) 4.829 20.590 ( -1.095 -0.129 0.021) 1.103 20.690 ( -0.637 -0.583 -0.106) 0.871 20.717 ( 0.827 0.581 0.083) 1.014 20.897 ( 0.249 1.043 0.002) 1.072 24.845 ( 0.091 -0.329 -0.006) 0.342 24.846 ( -0.080 0.244 0.006) 0.257 32.499 ( -1.316 -0.026 -0.129) 1.323 32.508 ( 1.080 0.146 0.129) 1.097 43.463 ( 4.431 -0.819 2.590) 5.197 43.577 ( -13.505 -0.717 -3.084) 13.872 44.834 ( 6.950 6.782 0.929) 9.755 45.617 ( -6.164 -0.792 -0.435) 6.230 ======================= Grid point 264 (154/294) ======================= q-point: (-0.50 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.686 ( -11.619 -1.487 -0.429) 11.721 3.846 ( 6.711 1.214 -4.986) 8.448 4.387 ( -3.834 -2.731 -3.549) 5.895 4.559 ( 7.304 -12.607 -0.999) 14.604 4.735 ( 1.685 2.152 5.993) 6.587 5.229 ( -13.872 8.812 5.991) 17.492 6.051 ( -8.014 -5.329 1.316) 9.714 6.323 ( -15.581 5.355 -2.424) 16.653 6.808 ( 5.574 -4.247 2.446) 7.422 7.341 ( 6.414 1.191 -1.950) 6.809 8.086 ( -6.829 -10.303 7.765) 14.598 8.586 ( 4.232 -2.762 -5.373) 7.376 8.891 ( 8.175 4.792 -3.475) 10.093 9.380 ( 3.470 2.207 -0.124) 4.115 9.841 ( 3.550 5.772 -2.146) 7.108 10.709 ( -2.378 -0.098 0.230) 2.392 10.774 ( -3.547 -2.029 1.311) 4.292 11.048 ( 13.959 -1.446 -4.577) 14.761 20.552 ( -2.753 0.050 0.189) 2.760 20.704 ( 0.674 2.073 -0.108) 2.183 20.754 ( 3.086 0.170 -0.069) 3.091 20.917 ( 0.861 0.692 0.719) 1.318 24.832 ( -0.525 -0.348 -0.132) 0.643 24.857 ( 0.422 0.359 0.039) 0.556 32.466 ( -1.546 -0.596 -0.095) 1.660 32.534 ( 1.045 0.416 0.325) 1.171 43.298 ( -15.526 -0.826 -2.191) 15.701 43.539 ( 4.154 -3.638 6.444) 8.487 44.815 ( -11.148 0.800 -3.190) 11.623 45.707 ( 10.973 4.325 4.879) 12.764 ======================= Grid point 265 (155/294) ======================= q-point: (-0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( -12.551 -3.881 -14.956) 19.907 3.821 ( -11.412 2.578 10.471) 15.701 4.201 ( -6.742 -4.918 -3.750) 9.149 4.492 ( 3.312 -14.222 -0.298) 14.605 4.835 ( 8.778 -8.451 2.919) 12.530 5.197 ( -8.032 8.613 9.679) 15.244 5.904 ( -1.517 -6.599 -1.722) 6.987 6.153 ( -12.505 9.411 3.726) 16.088 6.899 ( 7.612 -1.297 -1.708) 7.909 7.492 ( 9.496 1.098 -1.006) 9.612 7.908 ( -4.824 -15.911 10.418) 19.621 8.489 ( -2.372 -1.974 -10.459) 10.904 8.963 ( -2.294 -8.301 -7.163) 11.201 9.415 ( -1.839 3.612 2.430) 4.726 9.986 ( 5.155 12.548 -3.674) 14.054 10.656 ( -1.753 -2.670 -0.036) 3.194 10.726 ( -2.995 1.164 2.359) 3.986 11.350 ( 21.034 6.754 -6.673) 23.078 20.510 ( -2.572 0.944 0.106) 2.742 20.736 ( -0.655 3.836 0.223) 3.898 20.822 ( 4.300 0.599 -0.585) 4.381 20.948 ( 1.464 -0.177 1.557) 2.144 24.819 ( -0.402 -0.354 -0.336) 0.632 24.868 ( 0.304 0.558 0.012) 0.635 32.438 ( -0.808 -0.584 -0.137) 1.007 32.552 ( 0.252 0.407 0.638) 0.798 43.026 ( -13.148 -1.687 0.246) 13.258 43.601 ( 3.673 -6.159 9.764) 12.114 44.551 ( -13.447 -2.911 -5.583) 14.848 46.002 ( 11.543 5.088 8.024) 14.951 ======================= Grid point 266 (156/294) ======================= q-point: (-0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( -12.409 -9.537 -24.144) 28.773 3.646 ( -20.281 6.966 20.665) 29.781 4.134 ( 7.272 -10.230 -4.694) 13.400 4.427 ( 3.004 -7.189 0.652) 7.819 4.886 ( 11.044 -15.755 -1.851) 19.329 5.112 ( -10.107 -5.479 10.148) 15.334 5.867 ( 2.439 -0.556 -2.152) 3.299 6.127 ( -7.505 11.510 12.740) 18.738 6.976 ( 3.614 -2.766 -4.975) 6.742 7.633 ( -4.110 -1.855 -5.081) 6.793 7.729 ( 12.566 -20.619 8.502) 25.600 8.372 ( -2.066 -7.663 -8.944) 11.958 8.724 ( -10.226 3.509 -5.610) 12.180 9.384 ( -4.461 -1.216 0.085) 4.625 10.180 ( 3.043 12.408 -2.549) 13.027 10.612 ( -0.204 -2.646 0.612) 2.723 10.691 ( -2.603 -0.385 0.394) 2.661 11.795 ( 18.181 17.432 -7.185) 26.193 20.492 ( -0.877 1.880 0.092) 2.077 20.758 ( -1.931 4.884 0.186) 5.256 20.900 ( 3.644 1.366 -1.006) 4.019 20.970 ( 0.435 -1.173 2.506) 2.801 24.808 ( -0.183 -0.296 -0.662) 0.748 24.879 ( 0.171 0.737 -0.077) 0.761 32.427 ( 0.036 -0.185 -0.133) 0.231 32.557 ( -0.406 0.206 0.828) 0.945 42.838 ( -6.028 -3.120 2.945) 7.399 43.646 ( 3.196 -7.886 11.813) 14.559 44.265 ( -10.553 -5.830 -6.462) 13.679 46.253 ( 6.177 3.799 10.204) 12.519 ======================= Grid point 267 (157/294) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -11.481 -16.733 -28.361) 34.873 3.521 ( -12.195 -2.093 16.636) 20.733 4.134 ( 10.823 -11.808 -3.609) 16.419 4.446 ( -0.349 -1.059 5.136) 5.256 4.852 ( -2.513 -8.457 -2.092) 9.067 4.958 ( 9.413 -21.535 3.925) 23.828 5.957 ( 6.232 4.140 2.239) 7.810 6.205 ( -6.636 9.430 14.872) 18.818 6.896 ( 0.692 -13.447 -5.519) 14.552 7.328 ( -2.943 -24.918 -3.992) 25.407 7.935 ( 6.665 6.868 -7.039) 11.880 8.225 ( 2.002 -7.044 6.074) 9.514 8.699 ( -3.499 12.585 -3.064) 13.417 9.261 ( -4.862 -3.196 -2.836) 6.473 10.290 ( -0.915 8.642 -2.475) 9.036 10.585 ( -0.814 -4.419 2.089) 4.955 10.664 ( 1.675 1.215 -2.826) 3.503 12.154 ( 2.189 22.630 -7.952) 24.086 20.528 ( 2.362 2.934 0.141) 3.769 20.772 ( -2.354 5.343 0.138) 5.840 20.934 ( -1.247 0.396 -0.489) 1.396 20.977 ( 0.570 -0.522 2.527) 2.642 24.800 ( 0.080 -0.214 -1.074) 1.098 24.887 ( -0.002 0.825 -0.196) 0.848 32.432 ( 0.398 0.272 -0.080) 0.489 32.554 ( -0.462 -0.072 0.894) 1.008 42.805 ( 4.259 -4.224 4.627) 7.575 43.680 ( 2.882 -8.769 12.538) 15.569 44.010 ( -6.232 -8.399 -7.205) 12.700 46.392 ( -0.521 2.314 12.711) 12.930 ======================= Grid point 268 (158/294) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 1.421 -21.088 -24.687) 32.499 3.223 ( -8.852 -30.669 4.253) 32.203 4.248 ( -4.253 6.685 11.440) 13.916 4.469 ( 8.078 -2.609 2.521) 8.855 4.742 ( 1.118 -5.000 -1.695) 5.396 4.987 ( 20.333 -24.737 -6.435) 32.661 6.145 ( -6.599 -1.887 11.758) 13.615 6.178 ( 4.640 4.996 -0.062) 6.819 6.706 ( 7.266 -28.753 -9.635) 31.182 7.153 ( 0.462 -2.904 5.877) 6.572 7.951 ( -5.437 9.263 -1.280) 10.817 8.415 ( 12.269 1.265 2.071) 12.507 8.687 ( -7.003 3.488 -1.694) 8.005 9.191 ( 0.550 1.444 -2.302) 2.772 10.300 ( -3.929 4.336 -1.010) 5.938 10.544 ( 0.125 -2.297 0.873) 2.460 10.752 ( 7.112 2.853 -2.520) 8.067 12.181 ( -19.569 21.316 -8.269) 30.095 20.631 ( 4.908 3.967 -0.176) 6.313 20.786 ( -2.305 5.300 -0.202) 5.783 20.888 ( -3.062 -0.694 1.910) 3.675 20.980 ( -1.803 0.398 1.127) 2.163 24.795 ( 0.302 -0.234 -1.427) 1.477 24.892 ( -0.195 0.791 -0.265) 0.856 32.440 ( -0.052 0.507 -0.007) 0.510 32.553 ( 0.114 -0.284 0.936) 0.985 42.930 ( 11.183 -4.379 3.058) 12.393 43.697 ( 2.185 -10.611 12.792) 16.763 43.830 ( 1.033 -7.920 -8.616) 11.748 46.427 ( -5.637 1.685 15.668) 16.736 ======================= Grid point 269 (159/294) ======================= q-point: (-0.08 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 22.253 -16.657 -12.075) 30.306 2.787 ( 1.896 -39.150 6.088) 39.665 4.194 ( -6.574 0.222 5.889) 8.829 4.609 ( 5.543 -4.595 3.339) 7.936 4.810 ( 1.913 9.616 0.740) 9.832 5.115 ( 27.146 -24.827 -9.192) 37.918 5.912 ( -5.077 -12.187 -6.626) 14.771 6.344 ( 2.801 -1.711 4.999) 5.980 6.562 ( 12.609 -20.541 -5.365) 24.693 7.281 ( 2.677 8.239 12.215) 14.975 8.004 ( -1.922 15.627 -1.834) 15.851 8.367 ( -9.702 -10.466 -5.348) 15.240 8.722 ( 4.723 7.921 -3.544) 9.880 9.240 ( 2.132 0.474 2.310) 3.178 10.259 ( -4.103 1.014 3.585) 5.542 10.554 ( 1.265 0.627 0.070) 1.414 10.886 ( 4.837 0.293 -3.677) 6.083 11.905 ( -27.695 20.958 -2.388) 34.813 20.687 ( -3.405 0.904 -1.508) 3.832 20.809 ( 0.088 5.419 0.050) 5.420 20.900 ( 3.005 2.156 2.701) 4.580 20.936 ( -4.016 0.402 0.935) 4.143 24.791 ( 0.491 -0.436 -1.481) 1.620 24.893 ( -0.365 0.661 -0.243) 0.793 32.438 ( -0.665 0.481 0.029) 0.821 32.560 ( 0.379 -0.418 0.987) 1.137 43.040 ( 5.301 -5.739 -3.263) 8.467 43.704 ( 4.990 -11.809 12.185) 17.687 43.825 ( 10.802 -4.397 -9.411) 14.986 46.424 ( -7.086 3.244 17.913) 19.535 ======================= Grid point 272 (160/294) ======================= q-point: ( 0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 24.180 -4.352 8.249) 25.916 3.282 ( 28.051 -21.812 -3.117) 35.670 4.385 ( -7.526 -5.698 -3.453) 10.051 4.497 ( -3.859 15.665 -1.964) 16.252 4.674 ( 10.551 -4.906 7.369) 13.773 4.977 ( 33.541 -2.173 -6.310) 34.199 6.106 ( 5.483 -10.774 6.281) 13.624 6.274 ( 5.633 8.038 -2.970) 10.255 6.605 ( 18.115 -9.537 2.993) 20.690 7.308 ( -7.011 1.679 -12.163) 14.139 7.864 ( -5.648 4.701 8.023) 10.880 8.492 ( 5.808 3.539 -6.412) 9.348 8.690 ( -9.854 -5.825 -1.800) 11.588 9.162 ( -1.820 5.032 0.985) 5.441 10.282 ( -3.952 2.132 1.168) 4.640 10.564 ( 1.612 -1.544 -1.715) 2.815 10.725 ( 1.143 7.059 1.051) 7.228 12.016 ( -27.631 -3.491 12.117) 30.372 20.630 ( -1.072 5.503 -0.133) 5.608 20.777 ( -5.383 -0.066 0.808) 5.444 20.906 ( -1.827 -0.613 -0.356) 1.960 21.005 ( -1.154 -2.158 -1.865) 3.077 24.781 ( 1.050 -0.232 0.272) 1.109 24.890 ( -0.638 0.180 0.055) 0.665 32.439 ( -0.453 0.256 0.059) 0.524 32.562 ( 0.047 0.185 -0.081) 0.207 42.985 ( 8.752 3.743 -3.989) 10.321 43.674 ( 6.519 -4.459 10.260) 12.948 43.919 ( 12.041 -3.530 -14.368) 19.076 46.567 ( -10.150 0.755 -0.981) 10.225 ======================= Grid point 273 (161/294) ======================= q-point: ( 0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 26.332 6.393 7.370) 28.081 3.400 ( 11.755 -8.383 -6.917) 16.009 4.256 ( 2.664 -6.409 -6.744) 9.678 4.535 ( -4.410 3.371 1.119) 5.663 4.853 ( 9.876 -1.674 0.945) 10.061 5.448 ( 17.185 5.024 2.078) 18.024 6.064 ( 0.499 -6.253 1.868) 6.545 6.343 ( 2.130 10.168 -7.673) 12.915 6.966 ( 14.157 -2.867 8.745) 16.886 7.241 ( 2.824 -1.266 -0.128) 3.097 7.808 ( -1.082 -1.196 -4.806) 5.070 8.548 ( 2.837 -6.792 6.455) 9.790 8.610 ( 4.363 3.757 -1.125) 5.867 9.184 ( -2.671 7.242 -2.066) 7.991 10.152 ( -13.712 0.578 -3.140) 14.079 10.590 ( 3.139 -1.610 -0.384) 3.549 10.828 ( 0.378 8.512 1.995) 8.751 11.505 ( -23.984 -13.515 7.822) 28.620 20.659 ( -1.086 0.559 0.750) 1.433 20.703 ( -3.826 2.998 0.107) 4.862 20.874 ( -1.366 0.594 -0.397) 1.542 20.930 ( -2.796 -3.104 -1.979) 4.623 24.800 ( 1.009 0.029 0.402) 1.086 24.880 ( -0.681 0.064 0.042) 0.686 32.438 ( 0.400 -0.267 -0.034) 0.482 32.563 ( -0.368 0.544 -0.284) 0.715 43.154 ( 7.794 2.057 -0.666) 8.089 43.845 ( 4.853 3.104 9.563) 11.164 44.014 ( 13.394 -1.612 -12.943) 18.696 46.346 ( -12.390 -2.151 -4.984) 13.527 ======================= Grid point 274 (162/294) ======================= q-point: ( 0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 22.275 5.529 8.092) 24.336 3.617 ( 14.636 14.034 -2.689) 20.455 4.213 ( 2.801 -6.749 -8.207) 10.989 4.398 ( -4.859 -10.558 -4.966) 12.639 4.959 ( 2.268 0.349 0.325) 2.318 5.665 ( 1.862 3.769 7.784) 8.847 6.133 ( 6.749 2.540 0.524) 7.230 6.458 ( 3.394 4.890 -3.868) 7.099 7.025 ( -5.592 2.610 1.448) 6.339 7.269 ( 4.303 -8.668 4.301) 10.590 7.835 ( 8.541 -3.924 -8.849) 12.909 8.656 ( 0.216 9.170 7.505) 11.851 8.765 ( 15.809 -9.013 7.155) 19.554 9.174 ( -5.855 7.028 -6.640) 11.303 9.789 ( -19.953 -2.848 -3.896) 20.528 10.621 ( 2.948 -2.645 -0.221) 3.967 10.908 ( -1.531 6.453 1.861) 6.888 11.113 ( -10.191 -10.563 4.405) 15.324 20.617 ( -1.773 -1.426 0.966) 2.472 20.699 ( -0.794 1.510 -0.574) 1.800 20.814 ( -4.267 -2.576 -0.020) 4.984 20.895 ( -0.077 2.986 -1.552) 3.366 24.819 ( 0.867 0.163 0.338) 0.944 24.868 ( -0.698 -0.020 -0.013) 0.698 32.449 ( 1.299 -0.302 -0.031) 1.335 32.553 ( -1.003 0.168 -0.365) 1.080 43.280 ( 6.145 -1.313 2.051) 6.610 43.876 ( -2.814 0.084 -4.159) 5.022 44.317 ( 17.538 8.610 2.716) 19.725 46.056 ( -13.741 -3.660 -6.592) 15.674 ======================= Grid point 275 (163/294) ======================= q-point: ( 0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( 19.642 1.928 8.868) 21.637 4.031 ( -9.565 -6.896 -11.734) 16.635 4.085 ( 16.274 20.120 0.244) 25.879 4.254 ( 7.510 -12.138 -9.323) 17.048 4.948 ( -6.048 2.898 3.729) 7.673 5.699 ( -8.720 4.267 9.563) 13.627 6.236 ( 1.993 -0.516 0.004) 2.058 6.481 ( 3.763 -7.020 -1.071) 8.037 6.927 ( -9.484 3.456 1.440) 10.196 7.271 ( 1.710 -11.603 4.801) 12.672 7.952 ( 15.429 0.932 -7.619) 17.233 8.684 ( -15.457 12.667 2.881) 20.191 8.850 ( -2.481 -11.659 -7.304) 13.980 9.126 ( 8.817 -1.388 7.673) 11.770 9.640 ( 2.613 7.161 -4.300) 8.752 10.640 ( 3.702 -3.779 -0.929) 5.371 10.903 ( -2.577 -1.965 0.579) 3.292 10.956 ( -5.355 0.090 2.890) 6.086 20.597 ( 0.048 -0.556 0.670) 0.872 20.686 ( -0.764 -1.816 -0.094) 1.972 20.739 ( -1.929 0.667 -0.297) 2.063 20.918 ( -0.594 3.174 -0.785) 3.323 24.836 ( 0.633 0.115 0.201) 0.674 24.856 ( -0.644 0.032 -0.064) 0.648 32.476 ( 1.887 -0.062 0.149) 1.894 32.527 ( -1.596 -0.537 -0.340) 1.718 43.371 ( 5.432 -3.589 4.575) 7.957 43.750 ( -8.505 -0.203 -5.157) 9.949 44.727 ( 14.461 10.387 4.241) 18.303 45.755 ( -11.914 -3.614 -4.974) 13.406 ======================= Grid point 276 (164/294) ======================= q-point: (-0.50 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.589 ( 9.930 -12.028 -9.626) 18.329 3.766 ( -1.640 -4.576 -1.900) 5.219 4.239 ( 3.654 -1.649 -4.272) 5.858 4.472 ( 7.336 8.677 -2.001) 11.537 4.868 ( -8.215 2.144 5.418) 10.071 5.583 ( -13.382 7.537 6.767) 16.783 6.162 ( -7.575 -6.342 2.509) 10.193 6.465 ( 2.909 -7.704 -0.066) 8.236 6.779 ( -9.256 -3.180 6.410) 11.699 7.201 ( 3.317 -7.547 2.680) 8.668 8.203 ( 4.172 1.359 0.120) 4.390 8.482 ( -5.706 3.466 -5.934) 8.933 8.764 ( 3.746 -1.916 -4.724) 6.326 9.322 ( 8.421 0.992 2.959) 8.981 9.793 ( 6.169 8.455 -5.260) 11.714 10.674 ( 4.277 -2.811 -1.710) 5.396 10.845 ( 2.303 -4.176 -1.503) 5.000 10.898 ( -6.423 3.900 3.724) 8.387 20.596 ( -1.135 0.588 0.223) 1.298 20.670 ( 2.160 -1.726 0.413) 2.796 20.747 ( 0.242 2.497 0.217) 2.518 20.929 ( -0.634 2.232 -0.534) 2.381 24.837 ( -0.422 -0.366 -0.181) 0.587 24.855 ( 0.287 0.541 0.095) 0.620 32.487 ( -1.772 -0.894 -0.250) 2.000 32.512 ( 1.904 0.037 0.470) 1.961 43.446 ( 5.031 -5.676 6.598) 10.052 43.535 ( -13.180 -0.197 -2.905) 13.498 44.935 ( -2.613 3.275 -4.945) 6.481 45.637 ( 3.344 1.833 5.600) 6.775 ======================= Grid point 277 (165/294) ======================= q-point: (-0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.322 ( -2.449 -17.997 -24.875) 30.800 3.832 ( 4.386 -6.177 2.237) 7.899 4.264 ( -1.430 0.879 1.450) 2.218 4.458 ( -5.924 -2.548 -1.308) 6.580 4.766 ( -5.674 -7.943 8.199) 12.748 5.513 ( -11.288 10.876 5.987) 16.779 5.937 ( -9.462 -6.085 1.929) 11.414 6.420 ( -6.141 2.500 2.845) 7.215 6.700 ( 6.020 -9.130 4.519) 11.833 7.283 ( 9.752 -4.953 3.763) 11.567 8.087 ( -15.094 0.283 6.392) 16.394 8.404 ( -0.582 -4.641 -12.646) 13.484 8.838 ( 5.159 -2.875 -6.295) 8.632 9.457 ( 4.555 0.536 0.366) 4.601 9.985 ( 7.411 13.868 -3.900) 16.200 10.657 ( -1.588 -2.387 -1.349) 3.169 10.841 ( -5.310 1.340 3.549) 6.526 11.004 ( 17.783 4.824 -3.811) 18.816 20.578 ( -2.592 2.265 0.360) 3.461 20.719 ( 4.430 -0.980 0.085) 4.537 20.791 ( 1.146 3.252 0.676) 3.513 20.941 ( 0.134 1.494 -0.106) 1.504 24.822 ( -0.554 -0.378 -0.442) 0.803 24.868 ( 0.394 0.639 0.032) 0.752 32.450 ( -1.314 -0.747 -0.106) 1.515 32.544 ( 1.304 0.000 0.752) 1.506 43.265 ( -15.115 -0.922 -1.380) 15.206 43.510 ( 4.450 -7.612 9.981) 13.317 44.715 ( -13.375 -3.694 -9.862) 17.023 45.894 ( 12.145 5.282 11.892) 17.799 ======================= Grid point 278 (166/294) ======================= q-point: (-0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( -5.203 -16.956 -26.183) 31.624 3.704 ( -0.908 -22.281 -8.099) 23.725 4.136 ( -12.272 -1.588 8.859) 15.219 4.478 ( 2.111 8.669 4.681) 10.076 4.625 ( 0.381 -15.977 7.794) 17.781 5.359 ( -17.592 -0.327 7.352) 19.070 5.784 ( -0.250 -7.292 -3.471) 8.080 6.380 ( -5.756 5.194 8.654) 11.619 6.795 ( 9.633 -6.598 -2.676) 11.979 7.441 ( 10.185 -6.472 7.600) 14.261 7.779 ( -17.314 -4.665 1.710) 18.013 8.286 ( -1.317 -2.910 -10.494) 10.969 8.805 ( -0.791 1.556 -7.162) 7.371 9.467 ( -2.744 -1.277 -0.541) 3.075 10.230 ( 4.495 12.173 -0.852) 13.004 10.602 ( -1.314 -1.212 -1.189) 2.147 10.769 ( -5.669 -0.109 2.342) 6.135 11.493 ( 28.441 14.967 -6.015) 32.696 20.559 ( -2.989 3.572 0.501) 4.684 20.796 ( 4.074 0.855 -0.043) 4.163 20.851 ( 1.506 3.255 0.472) 3.617 20.960 ( 0.678 0.324 0.621) 0.974 24.806 ( -0.424 -0.351 -0.812) 0.981 24.881 ( 0.330 0.746 -0.106) 0.823 32.430 ( -0.486 -0.070 -0.011) 0.491 32.562 ( 0.407 -0.247 0.911) 1.028 42.998 ( -13.289 -2.224 1.713) 13.582 43.555 ( 4.133 -9.360 11.391) 15.311 44.374 ( -13.389 -6.685 -9.377) 17.660 46.206 ( 10.014 3.887 13.440) 17.205 ======================= Grid point 279 (167/294) ======================= q-point: (-0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -14.292 -15.758 -26.841) 34.249 3.359 ( 3.568 -36.053 -13.889) 38.801 4.035 ( -3.289 -2.353 15.870) 16.377 4.511 ( 4.871 -20.300 8.905) 22.696 4.637 ( -3.644 10.948 2.539) 11.814 5.013 ( -17.360 -9.702 2.811) 20.085 5.781 ( 11.746 -8.624 -1.990) 14.707 6.345 ( -5.046 -3.749 2.427) 6.739 6.779 ( -0.405 -10.982 -3.786) 11.624 7.314 ( -11.992 -10.123 12.374) 19.985 7.824 ( 11.947 14.314 -2.853) 18.861 8.182 ( -2.356 -4.186 -2.268) 5.312 8.826 ( 0.531 8.546 -4.657) 9.747 9.350 ( -7.763 -1.788 -1.066) 8.038 10.347 ( 0.535 4.629 -1.462) 4.884 10.584 ( -0.551 1.467 -0.299) 1.595 10.675 ( -4.296 -1.235 -0.346) 4.483 12.114 ( 22.696 21.978 -7.954) 32.579 20.560 ( -1.517 4.470 0.605) 4.759 20.854 ( -0.512 4.203 -0.014) 4.234 20.918 ( 3.353 1.342 -0.437) 3.638 20.971 ( 0.158 -1.011 1.978) 2.227 24.792 ( -0.180 -0.262 -1.338) 1.375 24.893 ( 0.190 0.797 -0.268) 0.862 32.431 ( 0.206 0.742 0.012) 0.770 32.563 ( -0.297 -0.536 0.907) 1.095 42.806 ( -6.474 -4.047 4.615) 8.922 43.587 ( 3.964 -10.295 11.675) 16.062 44.037 ( -10.907 -8.860 -8.253) 16.296 46.443 ( 5.086 1.972 15.176) 16.127 ======================= Grid point 280 (168/294) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -16.290 -20.561 -27.135) 37.742 2.952 ( -0.499 -41.905 -8.187) 42.700 4.102 ( 15.218 -26.868 12.928) 33.476 4.467 ( 7.006 -13.614 7.363) 16.990 4.586 ( -7.996 1.301 -2.206) 8.396 4.720 ( -8.644 1.306 -2.662) 9.138 5.929 ( 15.870 -17.875 -2.918) 24.081 6.180 ( -3.792 -3.370 -4.850) 7.019 6.550 ( -9.204 -11.541 2.325) 14.944 7.243 ( -2.573 4.093 15.492) 16.229 8.069 ( -3.018 8.479 -7.584) 11.769 8.234 ( 14.222 5.385 5.607) 16.208 8.880 ( -5.399 6.203 1.564) 8.371 9.205 ( -4.114 0.220 -2.039) 4.597 10.346 ( -1.105 -0.661 -2.622) 2.921 10.564 ( -3.362 0.735 1.627) 3.807 10.664 ( 4.190 2.377 -3.172) 5.768 12.526 ( 1.915 23.777 -10.355) 26.005 20.611 ( 1.868 4.916 0.446) 5.278 20.873 ( -2.012 4.494 -0.327) 4.935 20.944 ( -2.047 0.777 0.600) 2.271 20.985 ( 1.638 -1.104 2.027) 2.830 24.781 ( 0.071 -0.200 -1.903) 1.915 24.900 ( -0.006 0.753 -0.359) 0.834 32.447 ( 0.250 1.300 0.006) 1.324 32.555 ( -0.303 -0.732 0.818) 1.139 42.762 ( 3.811 -5.294 5.710) 8.669 43.610 ( 3.494 -10.687 11.260) 15.912 43.746 ( -6.470 -9.685 -7.878) 14.061 46.581 ( -0.533 0.845 17.600) 17.628 ======================= Grid point 281 (169/294) ======================= q-point: (-0.08 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 11.329 -21.414 -16.326) 29.214 2.424 ( -5.041 -47.469 4.517) 47.950 4.101 ( 28.350 -48.932 -4.817) 56.756 4.426 ( -6.944 -2.113 -4.114) 8.343 4.511 ( 2.413 -3.971 2.926) 5.492 4.799 ( 8.511 11.655 2.570) 14.659 5.794 ( -1.054 -16.721 -9.858) 19.439 6.157 ( 6.914 -18.152 0.309) 19.427 6.423 ( -2.241 6.615 5.546) 8.919 7.380 ( 1.868 7.164 10.759) 13.060 8.068 ( 1.476 3.606 -4.178) 5.713 8.492 ( -2.774 6.992 0.803) 7.565 8.779 ( -5.383 5.896 2.829) 8.470 9.222 ( 2.026 1.387 1.268) 2.763 10.297 ( -0.978 -2.401 -0.248) 2.605 10.549 ( -0.033 1.273 0.016) 1.274 10.779 ( 6.230 2.166 -2.574) 7.080 12.532 ( -19.671 22.065 -7.513) 30.500 20.716 ( 2.713 4.586 -0.600) 5.362 20.856 ( -2.527 1.970 -0.661) 3.272 20.932 ( -1.327 2.574 2.664) 3.935 20.990 ( -1.313 -0.480 1.094) 1.775 24.770 ( 0.290 -0.380 -2.043) 2.099 24.904 ( -0.214 0.629 -0.312) 0.734 32.459 ( -0.551 1.398 0.003) 1.503 32.552 ( 0.365 -0.778 0.733) 1.130 42.852 ( 8.056 -5.618 1.132) 9.886 43.547 ( 1.302 -9.224 -1.528) 9.440 43.637 ( 4.265 -9.515 4.474) 11.346 46.644 ( -4.117 1.945 18.831) 19.373 ======================= Grid point 321 (170/294) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -0.000 0.000 36.625) 36.625 1.178 ( -0.000 0.000 36.625) 36.625 1.934 ( -0.000 0.000 60.032) 60.032 4.428 ( 0.000 -0.000 -4.082) 4.082 4.428 ( 0.000 -0.000 -4.082) 4.082 5.279 ( 0.000 -0.000 -2.963) 2.963 5.279 ( 0.000 -0.000 -2.963) 2.963 5.777 ( -0.000 0.000 4.164) 4.164 6.652 ( 0.000 -0.000 -5.646) 5.646 7.568 ( 0.000 -0.000 -0.220) 0.220 7.568 ( 0.000 0.000 -0.220) 0.220 8.930 ( 0.000 -0.000 -32.689) 32.689 8.935 ( 0.000 -0.000 -3.143) 3.143 8.935 ( 0.000 -0.000 -3.143) 3.143 10.580 ( -0.000 0.000 2.512) 2.512 10.580 ( -0.000 0.000 2.512) 2.512 10.806 ( -0.000 0.000 22.020) 22.020 13.208 ( 0.000 -0.000 -5.131) 5.131 20.874 ( 0.000 -0.000 -0.113) 0.113 20.874 ( 0.000 0.000 -0.113) 0.113 20.968 ( -0.000 0.000 0.190) 0.190 20.968 ( -0.000 0.000 0.190) 0.190 24.952 ( -0.000 0.000 1.919) 1.919 25.355 ( 0.000 -0.000 -1.606) 1.606 32.518 ( 0.000 -0.000 -0.002) 0.002 32.530 ( -0.000 0.000 0.021) 0.021 42.624 ( -0.000 -0.000 0.335) 0.335 42.624 ( -0.000 0.000 0.335) 0.335 43.278 ( 0.000 -0.000 -0.333) 0.333 43.278 ( 0.000 0.000 -0.333) 0.333 ======================= Grid point 322 (171/294) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -2.024 18.335 27.495) 33.109 1.649 ( 3.403 8.048 39.323) 40.282 2.829 ( 48.627 13.842 42.857) 66.279 4.217 ( -2.497 -9.605 -9.442) 13.698 4.613 ( 3.999 10.007 2.109) 10.981 5.199 ( -4.940 2.532 -3.779) 6.715 5.233 ( 0.408 -5.084 -1.359) 5.278 5.835 ( 6.789 3.011 7.511) 10.563 6.573 ( -3.781 -1.034 -6.050) 7.209 7.582 ( -6.528 9.147 -9.806) 14.915 7.621 ( 10.611 -10.485 -0.787) 14.938 8.663 ( -0.704 -2.921 -15.600) 15.887 8.983 ( 1.589 5.316 -2.325) 6.016 9.020 ( 2.986 6.157 -10.441) 12.483 10.498 ( -5.800 0.127 8.648) 10.413 10.594 ( 2.466 -4.159 2.271) 5.342 11.037 ( 4.089 3.529 12.363) 13.491 12.954 ( -19.249 -12.566 -5.029) 23.532 20.832 ( -2.469 -1.609 0.139) 2.950 20.879 ( 1.249 -0.912 -0.270) 1.569 20.956 ( -1.251 1.358 -0.710) 1.978 20.986 ( -0.201 0.038 -0.526) 0.565 24.955 ( -0.689 -0.403 1.942) 2.100 25.134 ( -12.144 -7.031 5.791) 15.181 32.500 ( -0.881 -0.558 -0.332) 1.094 32.517 ( -0.972 -0.474 -0.008) 1.081 42.787 ( 13.953 -3.519 1.685) 14.488 43.161 ( -3.064 -2.742 -2.536) 4.831 43.321 ( 16.113 24.249 -11.541) 31.318 43.920 ( 61.801 33.024 -34.774) 78.225 ======================= Grid point 323 (172/294) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 7.552 30.235 16.968) 35.484 2.077 ( 14.144 13.699 28.338) 34.507 3.796 ( 23.568 -4.388 12.252) 26.923 4.176 ( 14.706 0.593 1.837) 14.832 4.840 ( 8.920 11.969 7.115) 16.536 5.049 ( -9.668 1.010 0.521) 9.734 5.387 ( 19.405 2.098 -5.438) 20.261 6.054 ( 9.011 3.942 3.308) 10.377 6.463 ( -4.813 0.289 -4.741) 6.762 7.372 ( -15.019 5.133 -14.697) 21.632 7.757 ( 16.938 -9.793 -0.723) 19.579 8.648 ( 6.146 -1.825 -8.008) 10.259 9.020 ( -4.850 12.011 -9.636) 16.145 9.112 ( 3.603 4.416 6.520) 8.660 10.435 ( -6.766 -2.523 7.331) 10.290 10.606 ( 1.215 -1.521 0.842) 2.121 11.129 ( -1.263 -0.671 11.923) 12.009 12.329 ( -28.008 -19.071 -6.531) 34.508 20.761 ( -3.675 -2.023 1.047) 4.324 20.878 ( 0.607 -4.205 -1.292) 4.441 20.949 ( -2.926 -0.019 -1.141) 3.141 20.960 ( -0.061 3.493 -1.040) 3.645 24.937 ( -2.205 -1.356 2.253) 3.432 24.964 ( -4.915 -2.837 4.300) 7.120 32.472 ( -1.393 -0.898 -0.418) 1.710 32.502 ( -0.095 0.089 -0.762) 0.773 43.023 ( 13.207 -1.494 -5.203) 14.274 43.104 ( 1.968 -1.430 4.264) 4.909 43.746 ( 15.138 19.588 -0.566) 24.762 44.847 ( 35.910 21.111 -46.188) 62.197 ======================= Grid point 324 (173/294) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 11.222 22.873 13.134) 28.664 2.678 ( 19.959 22.562 13.286) 32.923 3.960 ( 10.719 -1.842 -1.585) 10.991 4.431 ( 3.845 -1.336 4.831) 6.318 4.675 ( -8.858 -10.641 -9.714) 16.913 5.470 ( 21.810 15.823 10.749) 29.010 5.861 ( 27.794 8.431 3.880) 29.303 6.209 ( 6.628 -0.881 -6.143) 9.079 6.368 ( -4.898 0.174 0.418) 4.919 7.077 ( -12.932 1.959 -14.275) 19.361 8.006 ( 18.975 -4.169 0.739) 19.442 8.688 ( 0.296 -0.029 -0.626) 0.693 8.978 ( -5.371 9.235 -8.424) 13.605 9.251 ( 0.854 2.854 13.186) 13.518 10.253 ( -12.315 -5.801 1.653) 13.713 10.612 ( -1.269 1.849 0.417) 2.281 11.122 ( -4.281 -6.614 14.307) 16.333 11.663 ( -20.533 -14.277 -9.149) 26.629 20.683 ( -3.749 -1.828 1.276) 4.361 20.815 ( -1.476 -4.435 -1.152) 4.814 20.873 ( -3.947 -0.561 -1.369) 4.215 21.004 ( 1.159 2.984 -1.344) 3.472 24.882 ( -2.361 -1.494 2.803) 3.958 24.922 ( -1.453 -0.825 0.886) 1.891 32.440 ( -1.012 -0.477 -0.104) 1.124 32.501 ( 0.310 0.084 -1.311) 1.350 43.038 ( 1.783 -0.403 -8.444) 8.639 43.346 ( 14.715 -0.470 7.970) 16.742 44.226 ( 16.109 19.607 1.950) 25.450 45.199 ( 15.789 8.737 -35.043) 39.416 ======================= Grid point 325 (174/294) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 10.211 16.643 7.860) 21.048 3.303 ( 18.328 24.871 3.172) 31.057 4.012 ( -11.407 -10.536 2.114) 15.671 4.369 ( 12.238 3.748 -5.891) 14.090 4.684 ( 9.514 2.720 -0.313) 9.900 5.972 ( 16.824 8.931 2.033) 19.156 6.182 ( 1.168 -3.660 -15.680) 16.144 6.301 ( -3.455 -3.409 10.579) 11.639 6.323 ( 12.219 -2.214 -1.795) 12.548 6.918 ( 2.744 3.502 -4.742) 6.503 8.205 ( 0.483 -0.748 -7.509) 7.562 8.635 ( -6.499 5.046 10.975) 13.717 8.999 ( 5.157 0.948 -3.664) 6.397 9.312 ( -3.048 -2.112 16.299) 16.716 9.963 ( -12.347 -2.444 -4.486) 13.362 10.595 ( -3.929 2.455 1.019) 4.744 10.963 ( -7.973 -11.090 7.898) 15.778 11.351 ( -3.612 -3.814 -3.052) 6.075 20.609 ( -3.152 -2.033 0.852) 3.846 20.732 ( -3.134 -3.047 -0.597) 4.411 20.813 ( -1.476 0.133 -1.235) 1.929 21.036 ( 0.602 1.513 -1.153) 1.996 24.856 ( -0.936 -0.643 1.451) 1.843 24.894 ( -1.150 -0.678 0.185) 1.347 32.431 ( 0.054 0.358 0.301) 0.471 32.497 ( 0.143 -0.276 -1.318) 1.355 43.029 ( 2.493 -0.419 -7.681) 8.087 43.622 ( 11.718 0.460 8.216) 14.319 44.644 ( 9.773 15.943 -6.455) 19.783 45.317 ( 10.525 3.563 -16.504) 19.896 ======================= Grid point 326 (175/294) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 5.375 11.205 3.568) 12.930 3.497 ( -16.191 1.612 -7.674) 17.990 3.985 ( 16.715 13.571 4.672) 22.032 4.642 ( 12.226 -0.719 -2.811) 12.566 4.950 ( 12.163 10.701 -0.685) 16.215 5.983 ( -9.638 -15.342 4.427) 18.651 6.044 ( -2.588 -3.045 -12.501) 13.124 6.287 ( 2.245 -4.580 -15.820) 16.622 6.523 ( 16.021 3.980 7.868) 18.287 7.129 ( 9.825 3.062 7.234) 12.580 7.941 ( -16.795 2.049 -5.893) 17.916 8.688 ( -4.590 0.991 11.296) 12.233 9.052 ( -0.803 -1.395 0.086) 1.612 9.311 ( -0.165 -5.497 13.141) 14.245 9.824 ( -1.920 5.339 -5.837) 8.140 10.539 ( -4.356 0.674 2.127) 4.894 10.810 ( -3.454 -5.217 2.550) 6.756 11.300 ( 0.754 -2.423 1.567) 2.982 20.547 ( -1.901 -2.036 0.512) 2.832 20.655 ( -2.415 -1.104 -0.681) 2.741 20.810 ( 0.664 0.825 -0.262) 1.091 21.045 ( -0.070 0.708 -0.898) 1.146 24.846 ( -0.526 -0.357 0.495) 0.805 24.873 ( -0.619 -0.389 -0.075) 0.735 32.448 ( 0.596 0.603 0.504) 0.986 32.489 ( 0.187 -0.179 -0.823) 0.863 43.029 ( 2.691 -1.155 -6.956) 7.548 43.833 ( 6.290 1.004 8.711) 10.791 44.724 ( -2.522 4.954 -22.110) 22.798 45.569 ( 14.821 7.210 4.947) 17.208 ======================= Grid point 327 (176/294) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( -15.137 -6.861 6.353) 17.792 3.381 ( 2.438 19.901 -12.051) 23.393 4.389 ( 11.143 7.824 -0.699) 13.633 4.696 ( -1.897 -5.590 -0.674) 5.942 5.143 ( 0.436 0.262 -1.608) 1.686 5.728 ( 0.554 -15.334 6.941) 16.841 5.866 ( -5.960 -5.837 -13.575) 15.934 6.219 ( 1.238 5.866 -16.747) 17.788 6.804 ( 8.696 -1.017 5.193) 10.180 7.305 ( 2.747 0.778 11.093) 11.455 7.875 ( 7.194 7.887 2.314) 10.923 8.569 ( -15.602 0.490 9.215) 18.127 8.876 ( -11.058 -9.651 -5.343) 15.619 9.319 ( -2.016 -2.612 7.337) 8.044 9.892 ( 5.057 5.067 -2.638) 7.629 10.526 ( 0.812 0.974 3.127) 3.374 10.738 ( -2.754 -1.794 1.851) 3.773 11.357 ( 5.877 0.756 3.710) 6.991 20.509 ( -0.402 -1.915 0.103) 1.959 20.633 ( 0.092 1.436 -0.534) 1.535 20.840 ( 1.633 0.572 0.721) 1.875 21.042 ( -0.423 0.820 -0.987) 1.351 24.831 ( -0.774 -0.462 -0.170) 0.918 24.867 ( 0.092 0.026 -0.004) 0.096 32.448 ( -0.356 -0.772 -0.130) 0.860 32.509 ( 1.247 1.308 0.379) 1.846 43.019 ( 2.057 -2.481 -6.341) 7.113 43.945 ( -0.062 1.353 9.118) 9.218 44.519 ( -7.364 -2.123 -22.904) 24.153 45.942 ( 13.975 7.995 8.474) 18.194 ======================= Grid point 328 (177/294) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -21.296 -5.824 9.922) 24.205 3.668 ( 9.688 23.860 -15.132) 29.869 4.402 ( -15.224 -17.572 1.471) 23.296 4.496 ( -0.579 -4.608 3.520) 5.828 5.018 ( -7.301 -6.408 0.391) 9.722 5.558 ( -12.920 -8.386 -14.552) 21.190 5.799 ( 10.510 -3.505 4.561) 11.981 6.309 ( 7.446 12.429 -16.661) 22.079 6.889 ( 1.420 -3.906 5.702) 7.056 7.373 ( -2.047 0.134 13.138) 13.297 8.186 ( -25.175 -9.959 2.949) 27.233 8.250 ( 17.702 6.308 4.271) 19.271 8.566 ( -6.112 -5.571 -10.534) 13.392 9.268 ( -6.578 2.582 4.766) 8.524 10.052 ( 8.181 3.757 1.541) 9.133 10.588 ( 2.497 0.606 2.173) 3.365 10.685 ( -3.310 -0.412 0.806) 3.432 11.578 ( 13.187 4.974 7.925) 16.169 20.501 ( 1.536 -1.317 -0.471) 2.077 20.679 ( 2.313 3.545 -0.109) 4.234 20.879 ( 1.741 0.138 1.519) 2.314 21.037 ( -0.532 0.925 -1.653) 1.968 24.810 ( -0.898 -0.533 -0.241) 1.072 24.873 ( 0.424 0.236 -0.012) 0.485 32.433 ( -0.219 -0.746 -0.022) 0.778 32.545 ( 0.913 1.212 0.375) 1.563 42.977 ( 0.522 -4.049 -6.080) 7.324 43.955 ( -5.873 1.521 9.274) 11.082 44.221 ( -8.764 -6.070 -19.551) 22.269 46.275 ( 11.366 6.774 5.523) 14.338 ======================= Grid point 329 (178/294) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -23.429 -1.042 17.455) 29.235 3.667 ( -25.953 -10.870 -0.468) 28.142 4.152 ( 11.671 -1.881 -5.584) 13.074 4.487 ( 0.672 3.680 -0.790) 3.823 4.808 ( -9.163 -7.108 1.871) 11.746 5.091 ( -21.991 -11.890 -11.071) 27.341 5.963 ( 10.513 -4.849 0.798) 11.605 6.385 ( -5.877 1.155 -6.745) 9.020 6.804 ( -10.409 -5.566 5.974) 13.230 7.333 ( -10.096 4.218 -4.876) 11.979 7.811 ( 2.396 -5.451 7.536) 9.605 8.339 ( -0.841 -9.457 -8.042) 12.443 8.673 ( 11.800 9.060 0.167) 14.878 9.216 ( -5.807 4.787 3.194) 8.176 10.242 ( 6.737 4.006 3.545) 8.602 10.613 ( -4.202 0.750 -0.922) 4.367 10.632 ( 1.885 -1.993 0.709) 2.833 11.994 ( 20.109 9.054 11.820) 25.021 20.534 ( 3.607 -0.246 -0.670) 3.677 20.771 ( 3.362 4.504 0.192) 5.624 20.917 ( 1.234 0.597 1.463) 2.005 21.020 ( -0.738 -0.061 -2.499) 2.607 24.789 ( -0.815 -0.512 0.270) 1.000 24.885 ( 0.573 0.332 0.071) 0.666 32.430 ( 0.469 -0.194 0.076) 0.513 32.563 ( 0.019 0.550 -0.159) 0.573 42.889 ( -1.506 -5.353 -6.072) 8.234 43.877 ( -9.440 0.428 7.164) 11.859 43.906 ( -9.073 -7.285 -13.500) 17.823 46.514 ( 7.773 4.855 -1.877) 9.355 ======================= Grid point 334 (179/294) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 10.280 16.004 24.671) 31.152 2.089 ( 13.014 26.461 34.744) 45.571 2.878 ( -16.905 27.804 48.768) 58.627 4.146 ( -6.557 -8.187 -12.823) 16.567 4.622 ( 6.558 10.790 -2.424) 12.857 5.040 ( -0.386 -11.784 -0.554) 11.803 5.471 ( 2.250 14.039 -3.095) 14.551 5.773 ( -3.066 -1.325 9.139) 9.730 6.532 ( 1.061 -4.288 -7.106) 8.367 7.363 ( 0.792 -12.810 -4.062) 13.462 7.754 ( -3.071 9.170 -4.465) 10.651 8.543 ( -2.717 -2.585 -21.343) 21.670 8.878 ( 5.801 0.716 -2.341) 6.296 9.044 ( 1.364 7.948 -5.894) 9.989 10.482 ( 0.911 -8.358 6.749) 10.781 10.623 ( -2.594 0.536 3.046) 4.036 11.109 ( 0.997 2.348 14.406) 14.630 13.060 ( -1.073 -5.922 -8.260) 10.220 20.812 ( -0.486 -4.076 -0.132) 4.107 20.871 ( -0.249 -1.315 0.410) 1.400 20.967 ( 0.972 0.520 -0.888) 1.416 20.983 ( 0.093 -0.158 -0.072) 0.197 24.965 ( -0.004 -0.953 2.136) 2.339 25.159 ( -0.011 -12.715 3.984) 13.325 32.498 ( -0.035 -1.334 -0.210) 1.351 32.519 ( 0.070 -0.880 -0.004) 0.883 42.551 ( -5.759 -1.275 -0.861) 5.961 43.106 ( 0.980 5.666 -8.516) 10.276 43.446 ( 7.023 10.797 0.735) 12.901 43.849 ( -2.454 74.784 -27.256) 79.634 ======================= Grid point 335 (180/294) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 12.683 34.155 12.288) 38.450 2.500 ( -17.645 33.464 32.624) 49.955 3.439 ( 23.606 4.303 31.070) 39.257 3.964 ( 5.436 -2.338 -7.932) 9.896 4.820 ( 4.711 3.088 0.719) 5.679 5.027 ( 12.015 -2.344 -7.379) 14.294 5.405 ( -15.118 9.055 8.882) 19.735 5.956 ( 10.288 7.580 -2.953) 13.115 6.478 ( 0.197 -0.285 -6.218) 6.227 7.339 ( 11.553 -12.791 -1.693) 17.319 7.639 ( -12.503 5.958 -8.237) 16.115 8.442 ( 5.559 -3.107 -12.945) 14.427 9.045 ( 7.351 3.390 0.585) 8.116 9.134 ( 3.407 9.989 -6.266) 12.274 10.438 ( -0.076 -9.123 5.356) 10.579 10.624 ( -0.416 2.048 2.643) 3.369 11.181 ( -0.129 -4.954 13.739) 14.605 12.675 ( -27.135 -9.153 -7.666) 29.645 20.775 ( 0.993 -4.824 0.548) 4.956 20.839 ( -2.165 -1.024 -0.531) 2.453 20.971 ( 0.272 -0.165 -0.907) 0.962 20.974 ( -0.951 -0.382 -0.826) 1.316 24.956 ( -0.851 -1.588 1.845) 2.579 25.026 ( -4.205 -7.446 4.384) 9.610 32.475 ( -0.695 -1.357 -0.441) 1.587 32.507 ( -0.459 -0.198 -0.321) 0.594 42.668 ( 16.979 -3.378 -0.541) 17.320 43.094 ( -2.007 2.590 -5.798) 6.659 43.715 ( 11.736 15.101 1.135) 19.159 44.542 ( 15.963 54.057 -36.374) 67.083 ======================= Grid point 336 (181/294) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 0.170 47.211 4.911) 47.466 2.734 ( 0.666 22.587 27.713) 35.758 3.707 ( 11.908 -4.609 -1.703) 12.882 4.262 ( 15.478 -1.690 11.012) 19.070 4.729 ( -10.327 -8.978 -7.494) 15.601 5.289 ( 20.852 1.111 -8.083) 22.392 5.544 ( 11.375 13.416 18.937) 25.845 6.111 ( 5.407 4.163 -11.152) 13.074 6.481 ( -2.138 8.050 -2.100) 8.590 7.241 ( -11.368 -5.743 -10.389) 16.436 7.651 ( 14.433 1.532 2.774) 14.776 8.513 ( 10.408 -1.987 -5.109) 11.764 9.113 ( -1.476 4.028 -4.422) 6.160 9.311 ( 5.007 6.758 4.287) 9.440 10.332 ( -4.794 -8.539 1.500) 9.907 10.660 ( -0.050 3.117 1.013) 3.278 11.168 ( -0.985 -9.887 14.845) 17.864 11.981 ( -34.055 -9.653 -6.741) 36.033 20.744 ( -1.633 -2.119 1.616) 3.126 20.771 ( -1.754 -3.700 -1.547) 4.377 20.919 ( -3.080 -1.323 -1.372) 3.622 20.987 ( 1.628 0.286 -1.135) 2.005 24.917 ( -2.223 -2.990 2.543) 4.511 24.943 ( -1.812 -2.078 1.661) 3.219 32.448 ( -0.721 -0.940 -0.272) 1.215 32.499 ( -0.310 0.446 -0.909) 1.059 42.944 ( 12.889 0.598 -4.590) 13.695 43.087 ( 6.392 -0.859 0.205) 6.453 44.145 ( 17.140 16.457 3.134) 23.967 44.985 ( 8.383 29.949 -32.981) 45.332 ======================= Grid point 337 (182/294) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( -9.219 35.401 15.295) 39.651 3.286 ( 15.562 28.816 2.510) 32.846 3.947 ( 14.904 -0.668 2.648) 15.152 4.360 ( -12.938 -4.185 -6.580) 15.107 4.484 ( 11.077 -4.225 4.855) 12.811 5.626 ( 22.517 -3.019 -7.299) 23.862 5.883 ( 10.218 -7.122 -7.445) 14.511 6.257 ( 8.515 11.307 4.796) 14.945 6.505 ( -7.364 8.127 5.223) 12.147 6.920 ( -7.941 -4.361 -12.333) 15.303 7.991 ( 16.587 2.863 3.106) 17.117 8.685 ( 9.546 0.955 3.193) 10.111 9.041 ( -7.065 1.755 -4.362) 8.487 9.429 ( -0.879 1.600 8.857) 9.044 10.116 ( -10.734 -4.548 -3.458) 12.160 10.687 ( -0.985 3.454 -0.020) 3.592 11.076 ( -9.053 -11.596 13.940) 20.267 11.391 ( -15.347 -7.385 -4.241) 17.551 20.668 ( -4.736 -0.812 -0.252) 4.812 20.725 ( -0.001 -3.752 0.645) 3.807 20.841 ( -3.011 -1.018 -1.622) 3.569 21.011 ( 1.787 -0.629 -1.140) 2.211 24.874 ( -1.279 -1.610 1.747) 2.698 24.907 ( -1.261 -1.236 0.371) 1.804 32.436 ( -0.004 0.118 0.147) 0.188 32.493 ( -0.330 0.390 -1.170) 1.277 42.994 ( -0.654 5.037 -7.795) 9.304 43.359 ( 19.611 -3.871 4.976) 20.600 44.605 ( 13.420 15.954 -0.127) 20.848 45.148 ( 4.881 14.276 -21.340) 26.134 ======================= Grid point 338 (183/294) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -8.262 26.521 9.617) 29.396 3.737 ( -2.420 15.371 -10.732) 18.903 3.915 ( 1.476 4.584 6.623) 8.189 4.448 ( 11.609 3.970 4.137) 12.948 4.735 ( 18.515 3.411 -0.195) 18.828 5.785 ( 6.691 -15.408 -16.560) 23.589 5.899 ( 13.706 -3.999 -14.492) 20.343 6.274 ( -17.057 -6.380 9.740) 20.652 6.519 ( 2.147 10.680 3.495) 11.441 6.963 ( 13.977 2.147 -0.787) 14.162 8.165 ( -4.523 3.628 -0.071) 5.799 8.830 ( -1.069 3.768 8.677) 9.520 8.958 ( 4.676 -3.460 -1.683) 6.055 9.394 ( -6.984 -4.709 9.474) 12.677 9.917 ( -6.891 2.793 -4.662) 8.776 10.684 ( -5.499 4.246 1.676) 7.147 10.827 ( -7.188 -7.129 1.793) 10.282 11.238 ( 0.975 -9.011 5.071) 10.385 20.585 ( -3.674 -0.688 -0.256) 3.747 20.680 ( -1.969 -1.903 0.149) 2.742 20.800 ( 0.004 -0.522 -0.733) 0.900 21.024 ( 1.466 -1.291 -0.872) 2.139 24.854 ( -0.615 -0.714 0.802) 1.237 24.879 ( -0.831 -0.817 -0.085) 1.169 32.451 ( 0.576 1.084 0.542) 1.342 32.483 ( -0.233 0.097 -1.006) 1.037 42.992 ( -0.762 4.692 -6.764) 8.267 43.665 ( 15.912 -2.812 5.015) 16.919 44.773 ( -5.185 11.455 -17.201) 21.307 45.380 ( 16.414 7.031 1.981) 17.966 ======================= Grid point 339 (184/294) ======================= q-point: ( 0.67 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( -15.601 5.695 7.707) 18.309 3.620 ( -8.993 21.309 -6.749) 24.093 4.222 ( 11.334 6.624 -7.486) 15.112 4.652 ( 5.371 1.723 8.417) 10.132 5.050 ( 10.419 0.090 -1.098) 10.477 5.575 ( -1.586 -15.856 -13.377) 20.805 5.907 ( -4.254 0.590 -6.037) 7.409 6.077 ( 4.128 -5.000 -5.635) 8.590 6.719 ( 6.544 7.565 3.783) 10.694 7.220 ( 11.618 -0.772 5.261) 12.777 8.032 ( -11.102 7.984 3.813) 14.196 8.815 ( -7.694 1.602 3.506) 8.605 9.010 ( -5.565 -2.489 -0.274) 6.102 9.251 ( 1.521 -11.570 10.081) 15.420 9.870 ( -1.088 3.337 -3.567) 5.004 10.605 ( -5.791 2.632 3.443) 7.233 10.754 ( 0.041 -1.458 -0.634) 1.590 11.240 ( 5.739 -7.100 5.361) 10.587 20.525 ( -2.577 -0.387 -0.270) 2.620 20.646 ( -0.577 0.664 -0.196) 0.901 20.810 ( 1.729 -0.897 0.264) 1.965 21.029 ( 1.118 -1.295 -0.760) 1.872 24.840 ( -0.753 -0.431 -0.010) 0.867 24.865 ( -0.062 -0.321 -0.007) 0.327 32.455 ( -0.893 0.057 -0.291) 0.940 32.500 ( 1.490 1.302 0.357) 2.011 42.986 ( -1.267 3.953 -5.820) 7.148 43.890 ( 10.015 -2.398 3.824) 10.985 44.594 ( -12.175 5.175 -17.274) 21.757 45.771 ( 17.504 4.851 6.332) 19.236 ======================= Grid point 340 (185/294) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( -19.934 0.584 11.622) 23.082 3.770 ( 0.316 28.142 -11.395) 30.363 4.299 ( 4.416 -6.051 -10.408) 12.824 4.609 ( -13.434 -13.187 12.120) 22.389 5.042 ( -2.704 -5.499 -1.148) 6.234 5.462 ( 6.784 -5.856 -14.414) 16.973 5.788 ( -6.654 2.097 4.284) 8.187 6.176 ( 9.202 7.326 -15.145) 19.176 6.867 ( 2.622 1.060 4.356) 5.194 7.395 ( 5.980 -0.820 7.438) 9.579 8.102 ( 5.763 6.146 7.712) 11.422 8.552 ( -22.700 -13.624 -9.825) 28.239 8.710 ( -15.643 3.819 8.510) 18.213 9.346 ( 4.114 0.175 4.340) 5.983 9.918 ( 7.751 -0.497 0.355) 7.775 10.601 ( -0.686 2.693 2.583) 3.794 10.735 ( -1.785 0.424 -0.234) 1.850 11.367 ( 13.224 -5.728 6.255) 15.710 20.490 ( -0.984 0.426 -0.614) 1.236 20.676 ( 1.803 2.953 0.029) 3.459 20.840 ( 2.596 -1.466 1.131) 3.188 21.026 ( 0.608 -1.336 -1.220) 1.908 24.820 ( -0.907 -0.345 -0.204) 0.991 24.867 ( 0.397 0.027 0.001) 0.397 32.436 ( -0.796 -0.209 -0.140) 0.835 32.541 ( 1.230 1.300 0.337) 1.821 42.960 ( -2.631 3.141 -5.159) 6.588 43.985 ( 3.261 -4.065 -2.214) 5.663 44.329 ( -13.936 3.121 -8.103) 16.419 46.118 ( 14.936 2.553 3.514) 15.555 ======================= Grid point 341 (186/294) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -19.972 3.762 18.906) 27.757 3.947 ( -12.476 5.723 -11.187) 17.707 4.045 ( -6.577 -9.586 3.619) 12.176 4.434 ( 5.026 0.466 -1.437) 5.248 4.876 ( -8.374 -9.648 -0.572) 12.788 5.297 ( -12.923 0.514 -13.013) 18.347 5.819 ( 2.867 -1.597 3.369) 4.703 6.337 ( 7.150 7.643 -13.253) 16.887 6.892 ( -1.549 -3.277 5.507) 6.593 7.523 ( 3.240 3.882 8.207) 9.640 7.870 ( -26.509 -15.598 -8.257) 31.847 8.259 ( 1.719 -4.421 4.954) 6.859 8.648 ( -0.454 8.643 3.260) 9.248 9.378 ( -4.223 5.208 1.172) 6.807 10.134 ( 12.450 3.064 3.191) 13.212 10.615 ( -0.954 -0.671 0.432) 1.244 10.699 ( -3.426 2.825 -0.651) 4.488 11.663 ( 23.559 -6.608 8.992) 26.068 20.499 ( 1.159 1.956 -0.777) 2.402 20.758 ( 3.248 3.965 0.183) 5.129 20.879 ( 3.004 -1.767 1.449) 3.774 21.007 ( -0.132 -1.737 -1.992) 2.646 24.801 ( -0.862 -0.230 0.180) 0.910 24.878 ( 0.616 0.183 0.038) 0.644 32.426 ( -0.168 -0.061 0.025) 0.180 32.566 ( 0.335 0.671 -0.222) 0.782 42.900 ( -4.692 2.764 -4.884) 7.315 43.856 ( -5.235 -8.106 -13.760) 16.806 44.151 ( -11.515 5.057 7.116) 14.451 46.363 ( 11.137 0.088 -3.086) 11.557 ======================= Grid point 346 (187/294) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 3.001 26.463 19.066) 32.754 2.248 ( 6.846 14.984 37.924) 41.347 3.916 ( -21.520 28.719 23.844) 43.087 4.106 ( -7.977 0.228 -9.466) 12.381 4.652 ( -6.987 3.033 3.730) 8.481 4.969 ( -3.135 -9.432 2.973) 10.374 5.454 ( 6.343 15.444 -10.139) 19.533 6.030 ( -9.937 9.350 6.278) 15.019 6.420 ( 1.410 -4.509 -4.864) 6.781 7.181 ( 1.246 -14.350 -9.636) 17.330 7.857 ( -3.275 7.927 -5.502) 10.190 8.552 ( -7.436 1.839 -11.397) 13.733 8.813 ( -0.502 -1.204 -5.041) 5.207 9.092 ( -1.879 4.595 1.574) 5.208 10.439 ( 0.290 -7.092 6.138) 9.384 10.667 ( 0.302 0.282 2.272) 2.309 11.155 ( -0.051 -4.785 12.623) 13.499 12.721 ( 25.568 -7.265 -8.099) 27.787 20.796 ( 0.333 -1.696 -1.285) 2.154 20.850 ( -1.861 -3.984 1.249) 4.571 20.939 ( 1.993 -0.362 -1.323) 2.419 20.961 ( 1.718 -0.988 -0.147) 1.987 24.957 ( 0.809 -1.512 1.831) 2.509 25.026 ( 4.200 -7.443 4.358) 9.593 32.478 ( 0.628 -1.162 -0.497) 1.411 32.503 ( 0.541 -0.444 -0.269) 0.750 42.839 ( -23.618 -2.353 -0.311) 23.737 43.094 ( 2.057 4.115 -6.831) 8.236 43.555 ( -5.471 15.583 0.215) 16.516 44.539 ( -15.847 51.417 -34.731) 64.040 ======================= Grid point 347 (188/294) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 10.745 34.038 11.008) 37.352 2.909 ( 20.196 18.706 32.869) 42.873 3.832 ( -19.131 5.826 4.613) 20.523 3.911 ( -14.014 18.050 11.019) 25.370 4.692 ( 6.787 -0.942 -6.318) 9.320 4.875 ( -0.611 -5.941 4.323) 7.373 5.678 ( 6.440 9.976 -8.505) 14.606 5.949 ( -8.926 7.740 1.074) 11.863 6.412 ( 2.545 2.895 -2.724) 4.720 7.099 ( 4.863 -6.500 1.349) 8.229 7.814 ( -3.707 4.496 -7.258) 9.308 8.339 ( -6.817 -1.485 -13.046) 14.795 8.926 ( 9.127 3.746 1.211) 9.940 9.147 ( 1.357 6.589 -1.466) 6.885 10.399 ( -0.704 -6.111 4.405) 7.566 10.659 ( -1.053 -0.175 2.602) 2.812 11.163 ( 1.183 -10.672 13.187) 17.005 12.808 ( -1.824 -8.995 -11.330) 14.581 20.719 ( -1.287 -5.153 0.416) 5.328 20.849 ( 0.797 -0.841 -0.424) 1.234 20.940 ( 0.989 -2.469 -0.804) 2.779 20.976 ( 0.104 0.053 -0.395) 0.411 24.954 ( -0.042 -2.338 1.750) 2.921 25.004 ( -0.007 -7.072 3.531) 7.904 32.466 ( -0.174 -1.402 -0.414) 1.473 32.504 ( 0.241 -0.245 -0.421) 0.543 42.554 ( -5.250 2.255 -0.775) 5.766 43.152 ( -0.723 7.527 -5.139) 9.143 43.685 ( 4.822 12.170 0.604) 13.104 44.801 ( 0.758 50.870 -30.539) 59.338 ======================= Grid point 348 (189/294) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 15.366 30.470 3.134) 34.269 3.352 ( 0.284 14.438 7.225) 16.148 3.707 ( -16.197 18.915 18.973) 31.306 4.092 ( 10.322 6.671 14.143) 18.737 4.680 ( 0.427 -10.181 -10.605) 14.707 4.909 ( 11.773 -3.172 -0.982) 12.233 5.754 ( -6.003 9.221 7.176) 13.136 5.948 ( 8.403 1.069 -15.304) 17.492 6.544 ( 3.455 12.669 -3.158) 13.506 7.187 ( 3.482 -2.202 5.775) 7.094 7.726 ( -9.297 9.184 -1.684) 13.176 8.276 ( 9.804 -1.961 -8.513) 13.132 9.091 ( 4.922 0.351 0.441) 4.954 9.266 ( 5.782 5.948 -0.017) 8.295 10.330 ( -2.738 -5.266 1.715) 6.178 10.674 ( 0.854 0.601 1.466) 1.800 11.118 ( 0.874 -14.741 13.055) 19.710 12.401 ( -25.271 -9.537 -9.739) 28.713 20.673 ( 1.522 -5.626 0.882) 5.895 20.824 ( -2.827 0.106 -1.137) 3.049 20.924 ( 0.429 -2.989 -1.001) 3.182 20.963 ( -0.565 -0.157 -0.547) 0.802 24.924 ( -1.089 -3.505 2.065) 4.211 24.952 ( -1.109 -3.300 1.802) 3.920 32.445 ( -0.415 -1.059 -0.246) 1.164 32.503 ( -0.059 0.349 -0.842) 0.913 42.655 ( 12.507 1.754 0.149) 12.631 43.148 ( -5.086 7.618 -3.592) 9.839 43.999 ( 15.909 12.517 0.944) 20.265 45.112 ( 0.412 36.269 -26.940) 45.182 ======================= Grid point 349 (190/294) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( 18.898 17.948 -2.127) 26.149 3.554 ( -1.091 28.350 -0.099) 28.371 3.810 ( -6.980 20.304 22.047) 30.774 4.334 ( 7.334 -1.886 9.071) 11.816 4.447 ( -7.133 -8.633 -8.528) 14.076 5.161 ( 19.817 -5.915 -3.488) 20.973 5.710 ( -0.775 -2.452 -11.084) 11.378 6.175 ( 15.186 7.019 3.962) 17.192 6.683 ( -0.512 14.214 -6.589) 15.676 7.036 ( -16.584 -5.931 -0.287) 17.615 7.840 ( 9.492 8.319 6.345) 14.126 8.502 ( 14.550 5.328 -0.383) 15.500 9.108 ( -1.809 -1.822 0.037) 2.567 9.412 ( 5.548 0.275 1.298) 5.705 10.207 ( -6.496 -3.408 -2.181) 7.653 10.693 ( 0.606 0.101 -1.404) 1.533 11.064 ( 2.017 -14.851 14.152) 20.613 11.758 ( -31.404 -6.967 -5.736) 32.675 20.656 ( 1.814 -4.951 0.468) 5.293 20.755 ( -4.327 0.311 -0.374) 4.354 20.869 ( -2.500 -2.193 -1.487) 3.643 20.964 ( 1.406 -1.176 -0.759) 1.983 24.884 ( -1.059 -2.406 1.736) 3.150 24.915 ( -1.060 -1.825 0.474) 2.164 32.435 ( 0.095 -0.184 0.108) 0.234 32.500 ( -0.348 0.689 -1.145) 1.381 42.951 ( 17.106 1.843 0.285) 17.207 43.123 ( -2.489 6.452 -2.936) 7.513 44.445 ( 19.750 10.316 2.646) 22.439 45.241 ( -4.541 23.277 -21.409) 31.950 ======================= Grid point 350 (191/294) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.624 ( 0.303 6.402 7.340) 9.744 3.832 ( -0.449 32.395 -13.288) 35.017 4.042 ( -2.716 9.747 18.246) 20.864 4.354 ( 8.116 8.779 -1.849) 12.098 4.491 ( 10.143 0.238 5.625) 11.601 5.330 ( 15.325 -15.655 -12.465) 25.205 5.649 ( 4.160 0.333 -11.997) 12.702 6.531 ( 8.680 0.905 8.251) 12.010 6.628 ( -17.479 -2.653 5.706) 18.577 6.776 ( 3.193 10.332 -11.310) 15.648 8.142 ( 12.227 3.699 5.469) 13.896 8.776 ( 7.166 3.980 2.964) 8.716 9.009 ( -6.289 -1.621 1.773) 6.732 9.446 ( -0.241 -5.310 1.276) 5.466 10.040 ( -7.477 0.407 -4.214) 8.592 10.690 ( 1.608 -1.127 -3.313) 3.851 11.009 ( -5.452 -8.487 11.360) 15.193 11.232 ( -15.953 -6.801 0.650) 17.354 20.628 ( -1.140 -2.144 -0.577) 2.496 20.693 ( -2.495 -0.845 0.776) 2.746 20.801 ( -1.801 -1.506 -1.278) 2.673 20.972 ( 1.723 -1.850 -0.782) 2.647 24.859 ( -0.540 -1.199 0.982) 1.641 24.884 ( -0.881 -1.153 -0.064) 1.453 32.449 ( 0.980 0.739 0.529) 1.337 32.491 ( -0.731 0.685 -1.140) 1.518 43.078 ( -3.972 9.228 -3.755) 10.726 43.334 ( 19.691 -1.441 1.379) 19.791 44.829 ( 9.381 8.025 -3.277) 12.773 45.267 ( 0.971 12.554 -8.990) 15.471 ======================= Grid point 351 (192/294) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.548 ( -13.572 -0.084 7.275) 15.400 3.933 ( -5.998 19.796 -13.307) 24.596 4.197 ( -2.244 13.456 8.621) 16.137 4.627 ( 8.122 5.966 8.131) 12.949 4.810 ( 15.956 1.259 1.113) 16.044 5.303 ( 8.027 -12.715 -17.050) 22.733 5.723 ( 10.660 4.204 -13.407) 17.637 6.225 ( -17.380 -3.662 7.469) 19.268 6.758 ( 1.593 9.307 0.718) 9.470 6.989 ( 15.150 1.210 0.763) 15.217 8.301 ( -4.225 4.301 5.008) 7.838 8.828 ( 8.441 -7.887 0.983) 11.595 8.958 ( -5.682 2.586 0.783) 6.292 9.305 ( -7.489 -10.013 4.660) 13.344 9.940 ( -4.356 2.065 -3.186) 5.779 10.701 ( 2.639 -0.897 -3.303) 4.322 10.811 ( -12.483 2.149 3.596) 13.167 11.103 ( 3.039 -10.935 7.873) 13.813 20.576 ( -3.098 0.223 -0.716) 3.187 20.659 ( -0.756 -0.536 0.465) 1.037 20.774 ( 0.749 -1.555 -0.296) 1.751 20.979 ( 1.811 -2.123 -0.669) 2.870 24.847 ( -0.493 -0.487 0.222) 0.727 24.863 ( -0.327 -0.633 -0.056) 0.714 32.474 ( -1.013 0.690 -0.475) 1.314 32.487 ( 1.512 1.026 0.347) 1.860 43.078 ( -4.330 9.022 -3.296) 10.536 43.639 ( 16.037 -1.890 -0.044) 16.148 44.809 ( -11.396 7.296 -10.588) 17.182 45.525 ( 16.986 3.529 3.304) 17.660 ======================= Grid point 352 (193/294) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( -17.319 0.619 10.839) 20.441 3.984 ( -0.122 16.945 -14.544) 22.331 4.237 ( -6.611 5.109 3.112) 8.916 4.745 ( -7.080 -8.317 9.774) 14.657 4.947 ( 7.211 -8.421 -1.927) 11.253 5.207 ( 6.535 0.135 -14.856) 16.230 5.982 ( 6.064 2.895 -4.569) 8.125 6.026 ( -4.703 13.696 -2.185) 14.645 6.864 ( 1.923 3.680 0.516) 4.184 7.248 ( 12.395 -0.494 4.190) 13.094 8.223 ( -7.921 2.827 6.261) 10.485 8.720 ( -15.961 -6.851 -9.977) 20.031 8.958 ( 2.100 -5.890 2.911) 6.898 9.199 ( 6.037 -1.900 11.531) 13.154 9.865 ( -2.553 -1.256 -1.191) 3.084 10.684 ( -3.801 1.206 2.200) 4.554 10.748 ( -0.034 2.875 -2.094) 3.557 11.129 ( 7.706 -10.200 6.384) 14.290 20.528 ( -2.510 1.296 -0.777) 2.929 20.672 ( 1.457 1.568 0.292) 2.160 20.783 ( 2.137 -1.984 0.642) 2.986 20.981 ( 1.456 -2.413 -0.907) 2.960 24.832 ( -0.813 -0.192 -0.150) 0.848 24.860 ( 0.332 -0.197 0.043) 0.389 32.455 ( -1.312 0.454 -0.361) 1.435 32.530 ( 1.618 0.906 0.404) 1.898 43.070 ( -5.153 8.879 -2.692) 10.613 43.817 ( 8.277 -3.754 -4.977) 10.362 44.600 ( -14.168 6.104 -3.389) 15.795 45.857 ( 17.224 -0.715 1.537) 17.307 ======================= Grid point 353 (194/294) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( -16.413 2.227 18.081) 24.521 4.046 ( -2.333 -4.388 -9.235) 10.487 4.166 ( -6.334 11.417 -2.667) 13.326 4.446 ( -10.378 -7.957 5.575) 14.216 4.893 ( -3.558 -6.740 -4.090) 8.649 5.344 ( 4.846 7.455 -9.193) 12.790 5.875 ( -7.157 2.451 1.071) 7.641 6.255 ( 5.931 12.997 -8.804) 16.781 6.877 ( -0.330 -4.369 1.177) 4.537 7.438 ( 8.024 -2.997 5.063) 9.950 8.102 ( -13.225 -4.935 -11.952) 18.496 8.328 ( -11.132 -2.606 8.562) 14.284 8.841 ( -9.082 -0.859 7.720) 11.950 9.434 ( 5.468 4.840 0.441) 7.315 9.924 ( 12.969 -0.171 3.955) 13.560 10.649 ( -2.761 -0.010 1.050) 2.954 10.766 ( -0.942 4.318 -2.440) 5.048 11.241 ( 15.645 -13.496 6.494) 21.658 20.516 ( -0.575 2.869 -0.740) 3.018 20.736 ( 3.114 2.359 0.215) 3.913 20.810 ( 2.875 -2.462 0.847) 3.879 20.970 ( 0.805 -2.412 -1.189) 2.807 24.816 ( -0.842 -0.003 0.091) 0.846 24.868 ( 0.605 0.025 0.001) 0.605 32.438 ( -1.017 0.416 -0.068) 1.101 32.559 ( 0.915 0.212 -0.190) 0.958 43.045 ( -6.760 9.157 -2.215) 11.596 43.773 ( -1.649 -7.075 -11.390) 13.509 44.452 ( -11.662 7.469 6.345) 15.233 46.103 ( 14.171 -3.774 -4.180) 15.249 ======================= Grid point 358 (195/294) ======================= q-point: ( 0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -7.151 28.896 11.155) 31.789 2.584 ( -7.826 13.411 29.776) 33.582 3.970 ( -1.881 2.618 -9.743) 10.263 4.453 ( -4.113 1.440 7.831) 8.962 4.808 ( 10.215 -5.217 -3.040) 11.866 5.250 ( -24.348 17.535 12.131) 32.365 5.583 ( -18.629 6.739 -6.482) 20.844 6.219 ( -3.038 3.373 -8.498) 9.635 6.428 ( 0.197 11.572 1.231) 11.639 6.987 ( 3.113 -6.127 -3.296) 7.623 7.979 ( -8.699 1.153 -7.681) 11.662 8.612 ( -2.039 -4.877 3.166) 6.161 8.838 ( -4.818 7.489 -11.505) 14.549 9.218 ( -5.566 0.816 8.358) 10.075 10.349 ( 5.968 -8.539 4.679) 11.421 10.627 ( 3.534 -1.677 0.889) 4.011 11.187 ( -2.824 -5.593 11.166) 12.804 12.058 ( 34.668 -7.365 -6.490) 36.031 20.736 ( 3.605 -0.989 0.085) 3.739 20.865 ( -0.923 -4.399 -0.750) 4.556 20.877 ( 2.637 -1.828 -1.543) 3.560 20.925 ( -0.742 -0.497 0.010) 0.893 24.920 ( 2.252 -2.850 2.491) 4.404 24.942 ( 1.780 -2.089 1.657) 3.206 32.450 ( 1.018 -0.887 -0.219) 1.368 32.496 ( -0.058 0.364 -0.971) 1.038 43.055 ( 2.670 7.137 -8.702) 11.567 43.227 ( -20.705 -2.308 4.130) 21.239 43.908 ( -16.599 13.002 0.793) 21.100 44.984 ( -9.971 28.827 -30.560) 43.178 ======================= Grid point 359 (196/294) ======================= q-point: ( 0.33 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 2.670 38.704 9.069) 39.842 2.956 ( 12.397 15.975 35.385) 40.755 3.796 ( -4.290 -4.774 -19.427) 20.460 4.436 ( -2.642 -0.852 6.324) 6.906 4.877 ( -0.659 -1.755 3.287) 3.784 5.012 ( -31.337 17.644 17.980) 40.207 5.469 ( 9.819 0.629 -19.636) 21.963 6.086 ( -5.630 -3.218 -10.288) 12.161 6.551 ( -2.440 16.838 -0.558) 17.023 7.074 ( 1.169 9.042 12.559) 15.520 7.787 ( -0.230 -4.060 -10.930) 11.662 8.481 ( -12.725 0.275 -6.338) 14.218 8.860 ( 3.621 5.310 1.345) 6.567 9.214 ( -1.676 4.393 4.086) 6.229 10.356 ( 1.700 -5.841 2.620) 6.623 10.658 ( 1.745 -3.172 1.700) 4.000 11.109 ( -2.232 -11.371 11.069) 16.026 12.459 ( 22.381 -9.588 -10.287) 26.432 20.724 ( -3.960 -3.997 -1.005) 5.716 20.799 ( 2.338 -2.147 0.628) 3.236 20.883 ( 1.866 -3.184 -0.627) 3.744 20.959 ( 1.981 0.403 -0.419) 2.064 24.927 ( 0.949 -3.424 1.984) 4.069 24.951 ( 1.148 -3.324 1.825) 3.962 32.451 ( 0.312 -0.913 -0.289) 1.008 32.495 ( 0.206 0.192 -0.787) 0.836 42.808 ( -20.349 0.458 -1.545) 20.413 43.174 ( 4.692 9.641 -5.113) 11.879 43.855 ( -8.403 12.420 3.495) 15.397 45.089 ( -0.178 35.787 -26.469) 44.513 ======================= Grid point 360 (197/294) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 1.965 17.686 -5.626) 18.663 3.428 ( 5.311 9.670 18.797) 21.795 3.864 ( 16.052 15.415 4.287) 22.664 4.365 ( -4.381 -4.538 -1.124) 6.407 4.742 ( -9.491 0.093 5.816) 11.132 4.854 ( -16.189 14.157 6.935) 22.597 5.645 ( 16.935 -0.461 -10.106) 19.726 5.884 ( -5.820 -4.154 -10.835) 12.981 6.692 ( -2.070 18.260 0.547) 18.385 7.248 ( -0.609 9.922 10.220) 14.257 7.881 ( 9.147 11.946 -1.862) 15.160 8.171 ( -12.925 -5.076 -7.075) 15.584 8.994 ( 5.659 -0.413 3.142) 6.486 9.278 ( 0.896 5.652 2.424) 6.215 10.326 ( -0.647 -3.801 -0.004) 3.856 10.664 ( 1.243 -1.852 2.131) 3.085 11.005 ( -0.216 -15.615 9.479) 18.268 12.467 ( -1.531 -12.581 -12.162) 17.565 20.625 ( -1.638 -4.753 1.044) 5.135 20.826 ( 2.089 -0.995 -1.222) 2.617 20.866 ( 0.423 -3.362 -0.856) 3.495 20.976 ( -0.280 0.289 -0.143) 0.427 24.909 ( -0.086 -3.532 1.903) 4.013 24.937 ( 0.022 -2.806 1.055) 2.998 32.441 ( -0.274 -0.610 -0.137) 0.682 32.498 ( 0.342 0.247 -0.970) 1.057 42.615 ( -3.868 4.109 -0.257) 5.649 43.300 ( -1.487 9.235 0.479) 9.366 43.930 ( 4.052 12.038 -0.724) 12.723 45.319 ( 0.905 30.720 -22.222) 37.926 ======================= Grid point 361 (198/294) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( 17.297 -2.178 -15.263) 23.171 3.764 ( 4.003 24.162 11.550) 27.078 4.201 ( 3.808 -4.857 -6.440) 8.920 4.304 ( 1.581 6.710 14.420) 15.983 4.673 ( -16.738 15.574 13.413) 26.507 4.831 ( 6.435 0.846 -3.664) 7.453 5.687 ( -3.308 0.120 -12.434) 12.867 5.934 ( 16.511 0.152 0.147) 16.512 6.822 ( -1.938 15.724 -4.074) 16.359 7.298 ( -10.512 4.151 5.349) 12.503 7.857 ( -4.901 -2.354 -1.721) 5.703 8.339 ( 16.240 17.579 4.079) 24.278 9.057 ( 3.589 -5.593 2.421) 7.072 9.358 ( 1.539 2.467 1.336) 3.200 10.251 ( -3.406 -2.923 -2.726) 5.252 10.678 ( 0.267 -0.769 -0.293) 0.865 10.916 ( 3.323 -16.039 9.931) 19.155 12.087 ( -19.257 -11.404 -9.732) 24.405 20.583 ( 1.076 -4.368 1.443) 4.724 20.815 ( -2.548 0.320 -1.699) 3.079 20.837 ( 1.528 -4.126 -1.233) 4.570 20.960 ( -1.477 0.100 0.071) 1.482 24.880 ( -0.510 -2.602 1.546) 3.069 24.911 ( -0.516 -2.039 0.340) 2.131 32.434 ( -0.109 -0.016 0.192) 0.221 32.501 ( 0.218 0.501 -1.236) 1.352 42.723 ( 10.094 3.930 1.115) 10.889 43.310 ( -7.323 9.065 1.944) 11.815 44.223 ( 16.098 9.410 -0.788) 18.663 45.458 ( -4.080 22.876 -17.612) 29.157 ======================= Grid point 362 (199/294) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.234 ( 27.842 -8.188 -11.283) 31.137 4.076 ( 0.278 20.440 -0.317) 20.444 4.242 ( 9.489 4.522 -1.617) 10.635 4.448 ( 2.403 1.258 11.803) 12.111 4.618 ( -18.183 21.115 16.670) 32.471 4.899 ( 8.494 -10.540 -12.223) 18.239 5.643 ( -2.058 9.010 -5.282) 10.645 6.250 ( 19.186 -1.543 2.761) 19.445 6.892 ( -4.246 15.216 -8.988) 18.175 7.011 ( -21.913 -1.334 5.538) 22.641 7.922 ( 13.017 -4.200 0.370) 13.682 8.775 ( 7.689 15.002 7.066) 18.279 9.046 ( 0.681 -4.515 1.290) 4.745 9.371 ( 0.407 -3.921 -0.290) 3.953 10.121 ( -5.586 -2.732 -4.978) 7.965 10.648 ( -0.333 -1.360 -2.804) 3.134 10.912 ( 5.435 -12.519 10.542) 17.245 11.566 ( -23.586 -6.641 -4.839) 24.976 20.581 ( 2.006 -3.380 1.258) 4.127 20.756 ( -3.639 0.468 -1.096) 3.830 20.799 ( -0.787 -3.092 -1.426) 3.495 20.940 ( -0.370 -0.630 -0.185) 0.754 24.859 ( -0.354 -1.528 0.989) 1.855 24.885 ( -0.650 -1.284 -0.050) 1.440 32.443 ( 0.644 0.568 0.572) 1.032 32.501 ( -0.165 0.725 -1.291) 1.489 43.008 ( 16.965 2.684 1.648) 17.255 43.282 ( -7.320 9.779 1.125) 12.267 44.602 ( 18.579 3.811 -0.164) 18.966 45.459 ( -8.554 16.353 -11.743) 21.874 ======================= Grid point 363 (200/294) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.486 ( 15.741 -10.422 -3.316) 19.168 4.135 ( -7.943 10.999 -9.390) 16.499 4.523 ( 5.790 2.764 4.891) 8.067 4.573 ( 4.806 3.552 2.139) 6.347 4.685 ( -5.698 14.996 18.818) 24.728 4.896 ( 15.949 -3.764 -13.938) 21.513 5.674 ( -2.036 10.018 -6.207) 11.960 6.511 ( -0.364 1.175 4.594) 4.756 6.714 ( -2.995 1.093 4.600) 5.597 6.949 ( -2.298 13.451 -6.437) 15.088 8.144 ( 17.382 -7.138 2.173) 18.916 8.828 ( -8.373 -4.623 3.060) 10.042 9.072 ( -1.604 6.103 1.431) 6.470 9.288 ( -2.615 -9.145 -0.775) 9.543 9.986 ( -3.192 -2.699 -4.866) 6.414 10.645 ( 1.904 1.367 -2.696) 3.572 10.929 ( 2.923 -9.770 8.533) 13.297 11.150 ( -16.851 -1.907 -0.369) 16.962 20.589 ( 1.027 -1.695 0.694) 2.100 20.693 ( -3.489 0.706 -0.464) 3.590 20.752 ( -0.419 -2.115 -0.871) 2.326 20.932 ( 0.790 -1.414 -0.435) 1.678 24.848 ( -0.099 -0.693 0.442) 0.827 24.864 ( -0.554 -0.696 -0.126) 0.899 32.472 ( 1.414 0.729 0.766) 1.766 32.495 ( -0.714 0.867 -1.049) 1.537 43.268 ( -6.573 10.727 0.880) 12.611 43.340 ( 17.323 1.054 0.564) 17.365 44.866 ( 8.376 -0.130 -4.001) 9.283 45.433 ( -2.164 10.043 -2.817) 10.652 ======================= Grid point 364 (201/294) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.550 ( -1.426 -3.801 6.890) 7.997 4.020 ( -4.643 4.826 -10.893) 12.787 4.499 ( -7.911 -0.436 -2.377) 8.272 4.636 ( 10.843 -12.282 0.769) 16.402 4.814 ( -2.848 0.533 8.953) 9.410 5.108 ( 4.674 9.985 -5.866) 12.488 5.860 ( 12.107 17.438 -5.008) 21.812 6.371 ( -16.130 11.942 1.572) 20.131 6.844 ( 5.529 -2.230 1.528) 6.154 7.087 ( 7.444 9.210 0.577) 11.856 8.352 ( 6.456 -3.524 2.611) 7.805 8.613 ( -0.291 -15.249 0.339) 15.256 8.966 ( -13.631 1.801 -7.075) 15.463 9.203 ( 2.620 -5.007 8.761) 10.425 9.887 ( -2.347 -4.496 -3.115) 5.952 10.697 ( 1.916 3.210 -1.875) 4.182 10.858 ( -6.844 -2.021 2.678) 7.622 10.990 ( 0.290 -5.654 4.197) 7.048 20.578 ( -1.744 0.679 -0.503) 1.938 20.665 ( 0.023 0.630 0.436) 0.766 20.739 ( 1.122 -1.555 0.072) 1.919 20.930 ( 1.166 -1.932 -0.640) 2.345 24.842 ( -0.484 -0.047 -0.042) 0.488 24.853 ( 0.111 -0.429 0.059) 0.447 32.483 ( -1.223 0.896 -0.556) 1.615 32.509 ( 1.681 0.346 0.515) 1.791 43.270 ( -6.419 11.138 0.736) 12.876 43.596 ( 11.652 -1.240 -2.622) 12.008 44.842 ( -7.158 2.879 -2.917) 8.248 45.583 ( 11.513 0.940 0.380) 11.557 ======================= Grid point 365 (202/294) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.464 ( -11.539 0.551 16.129) 19.839 3.976 ( 0.764 -2.585 -9.517) 9.892 4.329 ( -7.533 -4.480 2.442) 9.098 4.557 ( -3.589 -9.828 0.122) 10.463 4.816 ( 2.423 1.442 -3.399) 4.416 5.302 ( 5.550 14.795 -3.789) 16.250 6.072 ( -7.174 7.596 -1.966) 10.631 6.328 ( -1.931 16.482 -2.994) 16.863 6.849 ( -1.070 -3.772 -2.472) 4.635 7.293 ( 6.963 -1.013 3.690) 7.946 8.209 ( -10.298 -1.666 -5.808) 11.939 8.516 ( -5.920 -7.093 1.957) 9.444 8.841 ( 4.867 -7.351 2.733) 9.230 9.337 ( 8.503 3.245 5.269) 10.516 9.809 ( 1.440 -4.003 1.943) 4.677 10.708 ( -2.871 0.160 0.727) 2.966 10.801 ( -0.134 4.074 -2.337) 4.699 10.977 ( 3.855 -9.847 4.023) 11.314 20.558 ( -1.423 2.333 -0.621) 2.803 20.701 ( 2.494 0.518 0.282) 2.563 20.751 ( 1.799 -1.641 0.325) 2.456 20.928 ( 1.078 -1.560 -0.549) 1.974 24.831 ( -0.747 0.154 0.038) 0.764 24.857 ( 0.560 -0.127 -0.012) 0.575 32.466 ( -1.475 0.904 -0.132) 1.735 32.537 ( 1.339 -0.461 -0.049) 1.417 43.272 ( -7.187 11.718 0.944) 13.778 43.656 ( 2.063 -5.338 -7.864) 9.726 44.746 ( -9.008 7.033 5.023) 12.484 45.783 ( 13.712 -4.612 -4.289) 15.089 ======================= Grid point 370 (203/294) ======================= q-point: ( 0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -7.472 24.554 1.341) 25.700 3.059 ( -15.276 12.365 21.597) 29.201 4.128 ( -13.090 6.373 0.518) 14.568 4.376 ( 18.384 -4.755 -5.156) 19.677 4.594 ( -4.149 -2.549 0.861) 4.945 5.752 ( -20.146 9.551 -4.923) 22.832 6.001 ( -14.778 -3.158 -2.850) 15.378 6.270 ( -7.893 3.883 1.267) 8.887 6.467 ( 5.751 9.005 -14.054) 17.655 6.997 ( 3.290 15.722 10.917) 19.421 8.006 ( -6.487 -17.991 -11.348) 22.238 8.641 ( -1.603 2.523 11.365) 11.752 8.977 ( -4.907 11.032 -8.155) 14.570 9.350 ( -4.429 -2.769 10.673) 11.882 10.080 ( 15.146 -10.153 1.277) 18.279 10.568 ( 0.886 -2.751 0.569) 2.945 11.221 ( 4.137 -3.717 11.482) 12.758 11.438 ( 20.487 -5.442 -5.695) 21.949 20.667 ( 3.685 -0.318 0.276) 3.709 20.783 ( 3.715 -3.392 -0.323) 5.041 20.810 ( 1.984 -1.333 -1.481) 2.811 20.966 ( -3.934 -1.991 -0.608) 4.451 24.877 ( 1.367 -1.502 1.696) 2.646 24.908 ( 1.227 -1.210 0.367) 1.762 32.432 ( 0.287 -0.088 0.220) 0.373 32.497 ( -0.018 0.615 -1.256) 1.398 43.045 ( 1.767 7.463 -7.718) 10.880 43.552 ( -15.148 -0.318 5.074) 15.978 44.320 ( -16.733 8.921 -3.980) 19.375 45.202 ( -6.786 15.767 -17.784) 24.716 ======================= Grid point 371 (204/294) ======================= q-point: ( 0.33 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 5.789 38.949 8.363) 40.255 3.192 ( -2.034 16.325 27.509) 32.053 3.811 ( -15.269 -5.224 -11.809) 19.997 4.492 ( -3.891 -1.027 2.766) 4.883 4.732 ( 19.449 -2.781 5.090) 20.295 5.373 ( -17.399 -3.143 -22.079) 28.286 5.705 ( -19.530 4.307 8.766) 21.836 6.123 ( -10.064 2.455 -7.318) 12.683 6.628 ( 6.819 13.569 -8.234) 17.275 7.353 ( 1.393 24.927 18.465) 31.052 7.644 ( -2.573 -17.453 -12.233) 21.468 8.657 ( -7.664 2.161 3.266) 8.606 8.937 ( -5.021 7.314 -3.220) 9.439 9.310 ( -2.443 0.084 7.715) 8.093 10.208 ( 9.283 -8.583 0.339) 12.647 10.574 ( 2.684 -3.610 1.235) 4.665 11.148 ( -6.457 -8.611 8.728) 13.857 11.845 ( 30.156 -7.612 -6.691) 31.813 20.709 ( 1.654 -1.348 -1.994) 2.920 20.774 ( -1.602 -4.226 1.041) 4.638 20.811 ( 2.155 -2.706 -0.790) 3.549 20.923 ( 1.553 -0.020 0.193) 1.565 24.887 ( 1.042 -2.394 1.652) 3.090 24.915 ( 1.026 -1.776 0.462) 2.103 32.438 ( 0.352 -0.111 0.106) 0.384 32.495 ( -0.178 0.618 -1.131) 1.301 43.146 ( -3.512 3.561 -1.259) 5.157 43.187 ( -14.432 4.885 -6.921) 16.734 44.199 ( -12.918 11.014 6.233) 18.084 45.244 ( 1.022 22.564 -19.799) 30.036 ======================= Grid point 372 (205/294) ======================= q-point: ( 0.42 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( -18.359 2.076 -3.398) 18.785 3.581 ( 5.995 15.070 27.306) 31.759 3.791 ( 15.131 26.185 -1.809) 30.296 4.385 ( -6.318 -4.060 -1.330) 7.627 4.767 ( -11.546 -8.047 -8.030) 16.203 5.247 ( 20.544 -2.461 -7.605) 22.045 5.500 ( -17.862 9.047 10.370) 22.548 5.921 ( -11.002 3.151 -7.934) 13.926 6.850 ( 3.488 15.178 -3.008) 15.862 7.357 ( -0.044 -5.410 -7.500) 9.248 7.865 ( 9.223 25.468 13.508) 30.268 8.410 ( -18.286 -2.771 -3.330) 18.792 8.951 ( 0.686 -0.915 4.515) 4.658 9.347 ( -0.307 4.124 4.860) 6.381 10.245 ( 4.549 -6.146 -2.608) 8.079 10.597 ( 3.378 -3.891 2.383) 5.677 10.972 ( -6.451 -10.756 6.183) 13.984 12.125 ( 17.187 -12.374 -10.713) 23.734 20.637 ( -3.689 -3.775 -0.089) 5.279 20.749 ( 2.254 -3.677 -0.051) 4.313 20.828 ( 1.659 -0.920 -0.860) 2.083 20.965 ( 1.955 0.359 0.134) 1.992 24.883 ( 0.406 -2.627 1.484) 3.045 24.911 ( 0.516 -2.005 0.329) 2.096 32.441 ( -0.025 0.033 0.126) 0.133 32.492 ( -0.041 0.463 -1.146) 1.237 42.818 ( -14.941 2.020 -1.641) 15.166 43.351 ( 5.796 10.331 -0.196) 11.847 44.117 ( -10.531 9.762 3.672) 14.821 45.437 ( 4.420 23.111 -17.486) 29.316 ======================= Grid point 373 (206/294) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -4.956 -10.455 -10.621) 15.706 3.958 ( 4.502 15.980 11.468) 20.178 4.167 ( -3.464 2.790 3.367) 5.579 4.386 ( 6.149 16.767 6.818) 19.116 4.512 ( 4.330 -10.074 -13.155) 17.126 5.330 ( -14.251 5.966 10.670) 18.776 5.610 ( 17.806 2.390 1.124) 18.001 5.766 ( -8.121 8.348 -4.782) 12.590 6.963 ( -0.796 8.819 -4.350) 9.866 7.405 ( 6.898 5.227 -5.466) 10.236 7.991 ( -20.382 -7.015 -2.693) 21.723 8.384 ( 10.719 27.398 12.192) 31.846 8.953 ( 1.772 -7.715 4.691) 9.201 9.404 ( -0.996 4.152 2.365) 4.881 10.214 ( 1.051 -6.244 -4.693) 7.881 10.643 ( 3.457 -1.986 2.755) 4.846 10.799 ( -3.163 -10.872 3.689) 11.909 12.069 ( -0.640 -13.889 -11.546) 18.073 20.559 ( -1.600 -3.008 1.336) 3.659 20.746 ( 2.459 -5.009 -0.684) 5.622 20.835 ( -0.117 0.915 -1.834) 2.053 20.984 ( -0.388 0.204 0.539) 0.694 24.868 ( -0.047 -2.239 1.226) 2.553 24.898 ( 0.002 -1.708 0.082) 1.710 32.441 ( -0.289 0.379 0.347) 0.590 32.492 ( 0.338 0.401 -1.303) 1.404 42.702 ( -1.867 4.243 0.611) 4.676 43.508 ( -1.376 6.937 7.357) 10.205 44.133 ( 2.349 9.676 -2.797) 10.343 45.621 ( 0.646 19.573 -13.651) 23.872 ======================= Grid point 374 (207/294) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 18.924 -10.009 -9.330) 23.352 4.068 ( 5.172 0.938 -3.275) 6.193 4.244 ( 1.885 2.480 -7.328) 7.963 4.478 ( 5.239 3.654 14.362) 15.718 4.668 ( 0.779 8.135 -4.187) 9.182 5.204 ( -14.695 6.814 13.017) 20.780 5.777 ( -1.061 10.324 -1.498) 10.486 5.944 ( 16.196 3.501 4.575) 17.190 7.014 ( 0.594 8.154 -6.578) 10.493 7.430 ( -19.236 6.241 1.424) 20.273 7.678 ( 4.568 -6.034 -6.239) 9.808 8.844 ( 6.075 9.555 8.576) 14.204 8.945 ( 5.646 0.631 3.249) 6.544 9.398 ( -3.933 1.428 0.586) 4.225 10.106 ( -1.729 -8.370 -6.155) 10.532 10.642 ( -1.808 -1.274 -2.127) 3.068 10.754 ( 5.295 -7.747 7.090) 11.761 11.764 ( -12.521 -10.176 -8.858) 18.407 20.535 ( 0.653 -2.105 1.722) 2.797 20.729 ( 1.884 -4.811 -1.000) 5.262 20.819 ( -2.143 1.720 -2.132) 3.478 20.965 ( -2.015 -0.185 0.743) 2.155 24.852 ( -0.128 -1.563 0.849) 1.783 24.881 ( -0.290 -1.110 -0.064) 1.149 32.446 ( 0.061 0.601 0.659) 0.894 32.497 ( 0.453 0.573 -1.379) 1.560 42.823 ( 9.207 4.153 2.152) 10.326 43.528 ( -7.505 6.920 8.108) 13.036 44.342 ( 13.527 4.384 -3.367) 14.613 45.693 ( -5.548 15.619 -9.261) 18.987 ======================= Grid point 375 (208/294) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 27.954 -8.319 -5.320) 29.647 4.077 ( 8.268 -13.877 -11.253) 19.687 4.446 ( 13.836 11.656 -2.962) 18.332 4.553 ( -8.182 0.496 0.602) 8.219 4.733 ( 1.888 9.054 4.304) 10.201 5.118 ( -11.181 8.110 17.679) 22.435 5.820 ( -3.724 6.858 -3.462) 8.537 6.301 ( 17.022 2.778 7.168) 18.678 7.003 ( -8.732 -3.539 1.206) 9.499 7.174 ( -13.578 22.023 -6.760) 26.741 7.789 ( 12.966 -5.164 -1.842) 14.078 8.839 ( 0.479 -10.846 2.178) 11.073 9.120 ( 0.671 -0.224 1.031) 1.251 9.343 ( -6.383 6.832 1.098) 9.414 9.937 ( -2.032 -10.425 -6.818) 12.621 10.626 ( 1.299 2.270 -2.031) 3.312 10.811 ( 4.475 -6.056 6.204) 9.756 11.403 ( -15.540 -4.114 -4.780) 16.771 20.549 ( 1.701 -1.287 1.661) 2.703 20.710 ( 1.327 -3.270 -0.883) 3.638 20.774 ( -3.844 1.969 -1.704) 4.643 20.929 ( -1.640 -0.820 0.437) 1.884 24.842 ( 0.054 -0.891 0.456) 1.002 24.866 ( -0.412 -0.534 -0.083) 0.679 32.462 ( 0.762 0.383 0.822) 1.184 32.503 ( 0.136 0.922 -1.173) 1.498 43.088 ( 14.669 3.149 2.217) 15.166 43.510 ( -7.440 8.442 6.328) 12.910 44.592 ( 15.242 -2.848 -3.124) 15.818 45.661 ( -9.436 12.465 -4.119) 16.167 ======================= Grid point 376 (209/294) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( 22.081 -4.433 -1.372) 22.564 4.043 ( 10.794 -13.120 -12.760) 21.248 4.311 ( -11.405 -5.590 0.702) 12.721 4.628 ( -3.084 -0.893 -0.313) 3.226 4.873 ( 2.265 2.428 0.228) 3.328 5.258 ( -0.055 16.841 15.666) 23.001 5.845 ( 4.793 11.706 -4.193) 13.326 6.604 ( 11.125 -1.445 4.712) 12.168 6.793 ( -11.793 2.373 2.087) 12.209 7.235 ( -5.099 21.197 -2.983) 22.005 7.989 ( 17.383 -6.920 1.173) 18.746 8.649 ( -9.302 -11.055 -4.097) 15.018 9.089 ( 1.708 -9.778 4.414) 10.863 9.240 ( -12.340 7.808 -2.177) 14.764 9.791 ( 1.567 -11.139 -5.608) 12.569 10.692 ( 2.503 4.424 -1.831) 5.403 10.840 ( 1.788 -5.557 4.510) 7.377 11.121 ( -12.212 0.014 -1.649) 12.323 20.576 ( 1.349 -0.551 1.022) 1.780 20.705 ( 0.647 -0.879 -0.069) 1.094 20.719 ( -3.229 1.707 -1.033) 3.795 20.902 ( -0.181 -1.443 -0.062) 1.456 24.841 ( 0.303 -0.377 0.165) 0.511 24.854 ( -0.499 -0.149 -0.056) 0.524 32.485 ( 1.224 -0.291 0.595) 1.392 32.507 ( -0.444 1.244 -0.647) 1.471 43.367 ( 12.599 1.251 0.246) 12.663 43.511 ( -6.091 9.450 4.931) 12.276 44.756 ( 11.168 -6.346 -3.575) 13.333 45.609 ( -6.913 8.948 0.439) 11.316 ======================= Grid point 377 (210/294) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.564 ( 11.505 -3.423 3.366) 12.466 3.928 ( -9.087 -2.288 -6.132) 11.199 4.262 ( 16.420 -11.323 -0.825) 19.963 4.430 ( -10.701 -13.567 7.177) 18.711 4.866 ( -2.583 5.041 -5.103) 7.624 5.446 ( -2.152 18.242 1.278) 18.413 6.148 ( 8.491 9.757 1.199) 12.990 6.577 ( -9.917 4.308 -1.158) 10.874 6.786 ( 3.557 -0.314 0.092) 3.572 7.317 ( -4.872 8.537 0.256) 9.833 8.220 ( 15.075 -16.792 3.556) 22.845 8.370 ( -7.264 5.024 -5.041) 10.169 8.903 ( -11.806 -4.107 1.159) 12.554 9.253 ( 5.274 1.179 1.314) 5.561 9.711 ( 3.872 -9.043 -1.241) 9.915 10.733 ( -0.500 -2.233 -0.174) 2.295 10.823 ( -0.187 1.407 0.768) 1.614 10.966 ( -5.939 -0.358 -0.409) 5.964 20.590 ( -0.083 0.721 -0.011) 0.726 20.689 ( -1.121 1.189 -0.033) 1.634 20.717 ( 1.037 -0.653 0.061) 1.226 20.898 ( 1.082 -0.611 -0.017) 1.243 24.845 ( -0.545 0.019 0.007) 0.545 24.846 ( 0.462 -0.035 -0.007) 0.463 32.497 ( -0.323 0.452 0.001) 0.555 32.509 ( 0.446 -0.240 -0.001) 0.506 43.498 ( 0.170 2.906 0.898) 3.047 43.537 ( -1.438 4.234 -0.938) 4.569 44.843 ( 6.002 -2.182 0.061) 6.387 45.613 ( -0.256 3.256 -0.022) 3.266 ======================= Grid point 383 (211/294) ======================= q-point: ( 0.25 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -5.624 16.785 -8.127) 19.478 3.475 ( -3.852 2.544 13.216) 13.999 3.987 ( 9.854 2.995 3.208) 10.787 4.564 ( -21.765 9.553 -0.021) 23.770 4.690 ( -7.415 -2.219 -0.706) 7.772 5.959 ( -2.462 -6.272 -10.490) 12.467 6.123 ( -11.056 1.139 -8.836) 14.198 6.306 ( 11.501 4.276 -8.720) 15.053 6.552 ( -9.446 13.842 6.300) 17.903 7.204 ( 1.293 16.520 10.250) 19.485 7.760 ( -0.751 -23.455 -9.761) 25.416 8.770 ( 1.610 2.983 8.607) 9.250 9.091 ( -0.253 5.078 -1.002) 5.182 9.431 ( -1.733 -2.686 11.047) 11.500 9.746 ( 8.206 -8.159 -1.397) 11.656 10.540 ( 0.587 -1.523 1.193) 2.022 10.982 ( 13.860 -1.241 1.211) 13.968 11.309 ( -0.884 -4.618 4.025) 6.190 20.606 ( 3.452 0.754 -0.083) 3.534 20.686 ( 3.696 -2.288 -0.159) 4.350 20.782 ( -0.947 -1.254 -0.448) 1.634 20.998 ( -2.571 -2.256 -0.841) 3.522 24.856 ( 0.710 -0.652 0.748) 1.220 24.880 ( 0.824 -0.783 -0.074) 1.139 32.442 ( -0.724 0.695 0.678) 1.211 32.493 ( 0.389 0.507 -1.157) 1.322 43.058 ( 1.421 8.152 -6.903) 10.776 43.790 ( -10.026 -1.733 6.032) 11.829 44.534 ( -4.743 5.330 -15.940) 17.464 45.437 ( -12.725 8.931 -0.253) 15.548 ======================= Grid point 384 (212/294) ======================= q-point: ( 0.33 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 12.385 29.915 -1.234) 32.401 3.577 ( -5.266 14.572 22.563) 27.371 4.079 ( -21.249 -6.695 -4.587) 22.746 4.357 ( 16.631 2.113 6.792) 18.088 4.625 ( -6.588 5.960 -0.008) 8.884 5.629 ( -23.141 -6.926 -16.715) 29.375 5.838 ( -6.646 -5.137 -8.769) 12.143 6.466 ( -15.280 9.150 7.317) 19.255 6.565 ( 10.017 15.286 -8.972) 20.359 7.410 ( -3.049 -25.531 -9.927) 27.562 7.583 ( 9.644 23.462 11.756) 27.958 8.832 ( -4.126 2.933 6.687) 8.387 9.085 ( -6.109 4.310 -3.611) 8.302 9.366 ( -1.862 -3.978 6.393) 7.757 9.892 ( 14.422 -9.729 2.021) 17.514 10.542 ( -0.052 0.077 0.800) 0.806 11.202 ( -2.234 -7.893 6.939) 10.744 11.295 ( 20.080 -4.342 -3.574) 20.853 20.658 ( 1.949 -0.543 -1.746) 2.672 20.726 ( 3.032 -2.096 1.647) 4.037 20.759 ( 0.646 -2.228 -1.436) 2.729 20.925 ( -2.072 -1.654 0.315) 2.670 24.863 ( 0.585 -1.185 0.878) 1.586 24.885 ( 0.849 -1.137 -0.066) 1.421 32.443 ( -0.394 0.681 0.555) 0.963 32.498 ( 0.074 0.740 -1.169) 1.386 43.164 ( 3.278 10.688 -5.005) 12.249 43.497 ( -18.792 -3.629 -3.367) 19.434 44.508 ( -5.929 9.522 2.020) 11.397 45.353 ( -4.453 11.848 -8.641) 15.326 ======================= Grid point 385 (213/294) ======================= q-point: ( 0.42 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.420 ( -27.501 -4.226 5.618) 28.385 3.663 ( 15.885 16.238 10.290) 24.938 3.924 ( 3.146 24.174 10.491) 26.540 4.517 ( -10.219 5.550 -2.293) 11.853 4.785 ( 19.273 0.114 8.634) 21.119 5.013 ( -22.215 -6.681 -20.989) 31.284 5.648 ( -5.147 -4.925 -7.353) 10.238 6.316 ( -17.653 12.405 6.500) 22.533 6.865 ( 9.547 15.567 -4.919) 18.912 7.103 ( 3.021 -20.400 -12.457) 24.092 8.067 ( 10.347 24.727 11.537) 29.182 8.686 ( -16.126 -1.643 1.230) 16.256 8.984 ( -3.586 -3.633 3.072) 5.958 9.401 ( 1.536 2.594 5.288) 6.086 10.011 ( 10.336 -9.625 -2.099) 14.279 10.553 ( 0.551 0.625 1.264) 1.514 11.032 ( -7.772 -9.612 4.236) 13.067 11.609 ( 22.371 -8.357 -7.206) 24.945 20.638 ( -0.612 -3.229 -1.337) 3.548 20.709 ( -1.542 -3.370 0.517) 3.741 20.779 ( 2.989 0.068 -0.575) 3.045 20.929 ( 2.252 0.134 0.838) 2.407 24.861 ( 0.319 -1.562 0.883) 1.822 24.885 ( 0.631 -1.274 -0.069) 1.424 32.446 ( -0.196 0.461 0.472) 0.688 32.497 ( -0.339 0.841 -1.171) 1.481 43.103 ( -17.587 -1.174 -2.709) 17.833 43.352 ( 5.041 11.488 -2.378) 12.769 44.448 ( -13.057 6.228 7.399) 16.248 45.459 ( 5.840 15.921 -11.938) 20.739 ======================= Grid point 386 (214/294) ======================= q-point: ( 0.50 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( -27.691 -8.453 4.506) 29.301 4.050 ( 4.986 3.556 7.930) 10.019 4.275 ( 5.337 2.572 -9.279) 11.009 4.370 ( -10.973 7.465 5.047) 14.199 4.595 ( -5.261 16.150 -0.432) 16.990 5.231 ( 21.096 -0.140 5.553) 21.815 5.495 ( -3.389 -2.307 -6.269) 7.491 6.177 ( -17.221 12.378 8.285) 22.769 6.922 ( 4.432 -6.855 -9.737) 12.706 7.218 ( 13.744 10.079 -7.667) 18.688 8.295 ( -18.569 -4.093 -3.378) 19.313 8.560 ( 6.818 21.605 12.261) 25.760 8.909 ( -1.730 -6.779 6.056) 9.253 9.480 ( -0.299 5.151 2.953) 5.945 10.031 ( 5.977 -11.165 -5.139) 13.667 10.594 ( 2.209 0.931 2.678) 3.594 10.820 ( -7.192 -7.946 0.737) 10.743 11.769 ( 12.205 -11.161 -10.118) 19.389 20.575 ( -2.124 -2.513 -0.015) 3.291 20.668 ( 0.458 -3.857 0.356) 3.900 20.821 ( 1.786 1.095 -1.385) 2.511 20.977 ( 1.827 0.173 0.975) 2.078 24.853 ( 0.080 -1.595 0.790) 1.782 24.881 ( 0.290 -1.110 -0.085) 1.150 32.450 ( -0.053 0.217 0.432) 0.486 32.492 ( -0.431 0.983 -1.135) 1.562 42.846 ( -10.300 1.924 -0.693) 10.501 43.559 ( 5.846 7.144 5.423) 10.706 44.306 ( -11.416 5.838 1.938) 12.968 45.679 ( 5.982 15.983 -9.369) 19.469 ======================= Grid point 387 (215/294) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -10.403 -3.525 5.887) 12.462 3.963 ( -1.868 -12.697 -13.521) 18.642 4.137 ( -0.083 2.220 -9.049) 9.318 4.563 ( 3.959 9.323 19.688) 22.141 4.816 ( -0.536 14.704 2.995) 15.015 5.424 ( -3.152 2.942 4.062) 5.923 5.584 ( 16.923 -3.264 1.467) 17.297 6.081 ( -8.626 8.367 6.717) 13.767 6.944 ( 6.482 -0.094 -8.646) 10.806 7.479 ( 9.223 7.784 -5.582) 13.297 7.890 ( -21.658 1.961 -3.744) 22.066 8.762 ( 2.253 -12.286 6.796) 14.219 9.003 ( 4.072 14.953 4.516) 16.143 9.516 ( -3.317 7.239 2.095) 8.233 9.940 ( 2.728 -14.895 -7.126) 16.736 10.659 ( -2.669 -1.356 -1.495) 3.347 10.672 ( 2.158 -1.984 4.263) 5.174 11.717 ( 0.314 -8.513 -10.039) 13.167 20.533 ( -0.852 -1.034 0.965) 1.651 20.644 ( 1.362 -4.031 -0.335) 4.268 20.846 ( 0.114 2.052 -1.798) 2.731 20.993 ( -0.637 -0.310 1.239) 1.427 24.842 ( -0.008 -1.333 0.594) 1.459 24.873 ( 0.007 -0.709 -0.066) 0.712 32.454 ( 0.102 0.027 0.443) 0.455 32.493 ( -0.079 1.167 -1.019) 1.551 42.790 ( 0.402 3.001 1.895) 3.572 43.710 ( -0.352 2.159 12.941) 13.125 44.243 ( -0.414 5.295 -5.179) 7.418 45.848 ( 0.343 14.184 -6.059) 15.428 ======================= Grid point 388 (216/294) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 12.266 2.415 6.578) 14.127 3.704 ( 3.112 -20.061 -18.664) 27.577 4.310 ( 12.012 10.741 0.762) 16.132 4.716 ( -4.323 4.443 5.574) 8.336 4.897 ( -3.304 7.592 6.794) 10.710 5.404 ( -7.589 3.104 12.467) 14.922 5.767 ( 8.663 -5.357 -0.510) 10.198 6.166 ( 8.005 3.158 4.209) 9.579 6.988 ( 1.767 -2.238 -3.280) 4.346 7.544 ( -7.426 2.906 -5.524) 9.700 7.712 ( -3.596 19.352 -3.423) 19.978 8.695 ( 2.376 -12.989 3.976) 13.790 9.074 ( -0.564 -7.443 -3.511) 8.249 9.576 ( -5.135 14.299 3.773) 15.654 9.774 ( 0.669 -16.148 -7.793) 17.942 10.617 ( 0.736 1.540 -2.030) 2.652 10.739 ( 2.828 -1.425 4.242) 5.294 11.542 ( -8.199 -2.156 -7.567) 11.364 20.535 ( 0.578 0.312 1.494) 1.632 20.634 ( 2.190 -3.301 -0.860) 4.054 20.843 ( -2.152 2.667 -1.734) 3.841 20.964 ( -2.500 -0.961 1.306) 2.980 24.834 ( 0.101 -0.941 0.350) 1.009 24.867 ( -0.181 -0.261 -0.028) 0.319 32.459 ( 0.355 -0.223 0.501) 0.653 32.503 ( 0.313 1.325 -0.817) 1.588 42.924 ( 9.419 2.901 3.287) 10.390 43.736 ( -5.784 2.652 12.487) 14.014 44.325 ( 9.217 -1.252 -5.625) 10.871 45.906 ( -6.012 12.226 -2.571) 13.865 ======================= Grid point 389 (217/294) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 20.395 4.972 4.104) 21.389 3.530 ( 13.100 -21.477 -15.762) 29.687 4.533 ( -7.139 -2.752 1.629) 7.822 4.648 ( -0.733 5.824 -2.973) 6.580 4.913 ( -3.591 2.198 6.369) 7.635 5.462 ( 0.813 8.163 18.478) 20.217 5.809 ( 4.913 -1.490 -4.076) 6.555 6.397 ( 13.476 -1.470 2.102) 13.718 6.925 ( -4.332 -2.106 1.168) 4.957 7.462 ( -3.362 3.514 -1.742) 5.166 7.892 ( -0.147 21.430 -1.413) 21.477 8.588 ( -1.154 -12.403 -5.366) 13.563 8.962 ( 3.781 -11.984 2.559) 12.824 9.527 ( -9.983 -4.230 -6.802) 12.799 9.613 ( -2.171 -1.064 -1.101) 2.657 10.673 ( 2.798 3.382 -1.915) 4.789 10.783 ( 2.621 -2.410 2.507) 4.355 11.329 ( -12.467 2.188 -4.575) 13.459 20.564 ( 0.701 1.020 1.455) 1.910 20.652 ( 3.133 -1.395 -0.731) 3.507 20.809 ( -3.908 2.945 -1.240) 5.048 20.912 ( -2.422 -1.620 1.031) 3.091 24.831 ( 0.323 -0.615 0.123) 0.705 24.862 ( -0.331 0.110 -0.006) 0.349 32.467 ( 0.704 -0.639 0.473) 1.062 32.518 ( 0.216 1.379 -0.495) 1.481 43.169 ( 12.703 1.884 2.803) 13.144 43.727 ( -5.697 4.820 8.884) 11.602 44.439 ( 12.129 -8.036 -4.221) 15.149 45.874 ( -9.793 10.574 0.953) 14.444 ======================= Grid point 390 (218/294) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( 15.851 -6.141 -6.304) 18.131 3.660 ( 25.596 -7.811 -3.890) 27.042 4.250 ( -16.065 -5.097 4.096) 17.345 4.527 ( -10.257 -11.242 4.997) 16.017 4.924 ( -1.135 4.695 -2.295) 5.347 5.636 ( -0.374 9.124 1.526) 9.258 6.029 ( 14.911 6.616 5.323) 17.160 6.552 ( 6.201 -5.730 -1.097) 8.514 6.861 ( -3.947 5.109 2.513) 6.928 7.441 ( -0.826 -3.289 0.101) 3.393 7.994 ( -2.765 -2.742 2.022) 4.388 8.483 ( 1.293 9.348 -6.953) 11.722 8.981 ( 1.530 -5.954 6.909) 9.248 9.252 ( -6.588 -7.543 -9.886) 14.072 9.568 ( -1.456 0.441 0.833) 1.734 10.703 ( 0.084 -2.850 -0.703) 2.937 10.832 ( 2.778 3.004 -0.413) 4.113 11.116 ( -11.633 1.382 -2.696) 12.021 20.590 ( 0.449 1.114 0.560) 1.325 20.691 ( 1.701 -0.107 -0.181) 1.714 20.762 ( -4.150 2.774 -0.357) 5.004 20.878 ( 0.259 -0.935 0.702) 1.198 24.833 ( 0.494 -0.492 -0.079) 0.701 24.857 ( -0.436 0.406 0.025) 0.596 32.474 ( 0.917 -1.168 0.266) 1.509 32.529 ( -0.422 1.276 -0.094) 1.347 43.368 ( 7.678 -1.735 -0.156) 7.873 43.732 ( -4.828 6.408 5.894) 9.956 44.556 ( 14.733 -9.636 -3.275) 17.906 45.809 ( -10.058 9.198 3.649) 14.109 ======================= Grid point 395 (219/294) ======================= q-point: ( 0.25 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( -8.574 10.687 -14.810) 20.175 3.237 ( 20.980 -8.342 6.378) 23.461 4.246 ( -14.028 11.032 7.706) 19.439 4.735 ( -0.877 -2.300 -1.295) 2.781 4.992 ( -15.868 3.411 -0.077) 16.231 5.855 ( 0.520 -1.608 -13.927) 14.029 6.038 ( 7.813 -6.145 -13.117) 16.458 6.165 ( 10.267 7.311 3.428) 13.062 6.864 ( -3.211 11.004 3.310) 11.931 7.325 ( -2.357 1.846 8.292) 8.816 7.705 ( -12.668 1.460 -2.701) 13.035 8.648 ( 11.063 -9.380 6.620) 15.944 9.039 ( 8.873 -0.214 -1.043) 8.937 9.430 ( 5.973 -5.287 11.979) 14.392 9.710 ( -9.763 -2.297 -4.082) 10.829 10.542 ( -0.283 1.871 2.421) 3.073 10.814 ( 6.251 -0.399 0.484) 6.283 11.320 ( -3.463 -3.284 4.449) 6.525 20.568 ( 2.596 2.035 0.068) 3.299 20.619 ( 1.502 -1.138 -0.458) 1.939 20.808 ( -2.827 -0.614 0.513) 2.938 21.002 ( -1.398 -2.664 -1.070) 3.193 24.840 ( 0.798 -0.411 -0.020) 0.898 24.866 ( 0.094 -0.289 -0.008) 0.304 32.465 ( 0.295 0.883 0.313) 0.982 32.490 ( -0.843 0.448 -0.255) 0.988 43.077 ( 2.359 8.527 -6.008) 10.695 43.924 ( -5.261 -4.399 6.558) 9.489 44.462 ( 5.018 2.573 -19.363) 20.168 45.784 ( -16.002 5.137 5.869) 17.802 ======================= Grid point 396 (220/294) ======================= q-point: ( 0.33 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 10.936 19.974 -10.855) 25.227 3.644 ( 19.883 1.732 13.639) 24.173 4.228 ( -7.622 11.775 9.039) 16.687 4.501 ( -15.896 -9.770 3.686) 19.019 4.851 ( -8.744 11.723 -2.079) 14.772 5.705 ( -6.991 -3.853 -15.728) 17.638 5.884 ( -6.202 -8.769 -9.069) 14.057 6.469 ( 10.475 10.940 -0.347) 15.150 6.890 ( -11.303 12.773 2.689) 17.267 7.219 ( -9.501 -15.550 -5.557) 19.051 7.662 ( 6.566 15.556 5.373) 17.719 8.790 ( 9.824 -7.800 3.348) 12.983 9.156 ( 3.502 1.957 0.125) 4.014 9.383 ( -7.616 -8.560 1.642) 11.575 9.658 ( 7.376 -3.880 7.524) 11.228 10.570 ( -0.601 2.989 1.367) 3.341 10.956 ( 11.384 -0.844 -1.839) 11.562 11.227 ( -3.514 -8.285 4.631) 10.121 20.610 ( 1.953 0.184 -2.039) 2.830 20.669 ( 3.306 0.239 1.639) 3.697 20.747 ( -2.384 -1.914 -0.052) 3.058 20.940 ( -1.751 -2.545 -0.327) 3.106 24.849 ( 0.562 -0.485 0.143) 0.756 24.865 ( 0.298 -0.634 -0.050) 0.702 32.470 ( -1.138 1.142 0.833) 1.814 32.492 ( 0.655 0.545 -0.970) 1.291 43.196 ( 2.989 11.147 -4.667) 12.448 43.714 ( -13.338 -5.154 -2.815) 14.573 44.573 ( 7.028 8.071 -4.719) 11.696 45.578 ( -13.891 3.917 1.350) 14.495 ======================= Grid point 397 (221/294) ======================= q-point: ( 0.42 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.511 ( 20.805 17.701 -3.508) 27.541 3.844 ( -17.087 -6.097 9.210) 20.346 4.160 ( -1.719 8.199 17.049) 18.996 4.499 ( 12.107 5.646 5.681) 14.516 4.816 ( -7.810 12.428 -2.363) 14.867 5.288 ( -23.135 -7.891 -15.361) 28.870 5.678 ( -7.495 0.740 -8.039) 11.016 6.687 ( -2.341 3.534 5.602) 7.025 6.798 ( -6.451 3.253 -10.645) 12.865 6.893 ( -0.991 -2.747 -3.587) 4.626 8.088 ( 15.347 17.112 5.823) 23.712 8.818 ( 1.396 -9.157 2.240) 9.530 9.044 ( -11.465 -7.118 1.567) 13.585 9.353 ( 8.194 -0.138 -1.195) 8.281 9.787 ( 6.200 -4.261 6.493) 9.937 10.590 ( -1.362 3.622 0.507) 3.903 11.066 ( -4.564 -10.075 2.548) 11.350 11.176 ( 15.620 -3.594 -4.309) 16.597 20.612 ( -0.267 -2.105 -0.682) 2.228 20.701 ( -0.608 -1.984 -0.832) 2.235 20.729 ( 2.755 0.544 0.346) 2.830 20.910 ( 0.380 -0.580 0.939) 1.167 24.850 ( 0.108 -0.727 0.333) 0.807 24.864 ( 0.525 -0.717 -0.144) 0.900 32.465 ( -0.954 0.659 0.703) 1.356 32.502 ( 0.216 0.926 -0.983) 1.368 43.322 ( -4.395 4.798 -1.134) 6.605 43.416 ( -7.968 3.517 -5.065) 10.075 44.701 ( -3.689 5.275 5.296) 8.336 45.476 ( -0.946 7.891 -4.913) 9.343 ======================= Grid point 398 (222/294) ======================= q-point: ( 0.50 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( -30.636 -4.004 14.314) 34.051 3.901 ( 10.865 1.964 -9.113) 14.316 4.309 ( -2.828 2.171 9.949) 10.569 4.706 ( -12.869 7.653 -4.419) 15.611 4.809 ( -3.871 3.343 2.889) 5.874 4.949 ( 12.849 6.418 4.709) 15.115 5.553 ( -6.637 7.889 -6.349) 12.108 6.504 ( -7.609 -14.555 -1.783) 16.521 6.698 ( 0.162 6.230 -3.839) 7.320 7.113 ( 9.885 13.960 -4.938) 17.804 8.420 ( 1.060 0.494 -0.168) 1.182 8.718 ( -6.594 2.989 5.401) 9.033 8.872 ( 4.003 -7.312 3.805) 9.163 9.492 ( 6.381 2.343 -2.952) 7.411 9.831 ( 1.925 -6.532 2.574) 7.280 10.612 ( -0.268 3.270 1.253) 3.512 10.867 ( -7.047 -8.396 -0.070) 10.962 11.383 ( 15.864 -5.752 -7.595) 18.505 20.567 ( -1.131 -3.002 -0.243) 3.217 20.664 ( -1.536 -1.117 0.138) 1.905 20.784 ( 2.840 1.101 -1.000) 3.206 20.945 ( 2.444 0.149 1.438) 2.840 24.843 ( -0.070 -0.952 0.378) 1.027 24.866 ( 0.405 -0.543 -0.120) 0.688 32.457 ( -0.614 -0.082 0.415) 0.746 32.508 ( -0.306 1.421 -0.754) 1.637 43.064 ( -14.172 -0.300 -1.907) 14.303 43.553 ( 5.571 7.589 3.223) 9.950 44.588 ( -13.577 1.218 4.531) 14.365 45.647 ( 9.085 12.386 -4.983) 16.149 ======================= Grid point 399 (223/294) ======================= q-point: (-0.42 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( -30.130 3.792 18.882) 35.759 3.789 ( -4.613 -12.368 -19.305) 23.386 4.183 ( -5.331 -0.085 -2.206) 5.770 4.738 ( -0.705 12.925 15.878) 20.485 4.919 ( 2.216 1.777 4.223) 5.089 5.250 ( 17.168 -3.435 -0.290) 17.511 5.568 ( -4.138 13.605 3.700) 14.694 6.235 ( -5.915 -12.492 -2.285) 14.009 6.808 ( 5.208 8.192 -4.551) 10.721 7.380 ( 9.340 9.995 -4.668) 14.454 8.206 ( -14.744 1.342 -6.120) 16.020 8.635 ( 0.206 -16.217 9.591) 18.842 9.065 ( 4.515 7.610 0.504) 8.863 9.570 ( 6.050 -2.418 -7.256) 9.753 9.761 ( -2.868 -4.008 2.078) 5.348 10.664 ( 1.276 1.814 3.080) 3.795 10.692 ( -4.707 -3.423 -1.626) 6.043 11.516 ( 9.717 -2.955 -9.123) 13.652 20.523 ( -0.233 -2.595 -0.242) 2.617 20.632 ( -1.761 0.070 0.640) 1.875 20.837 ( 2.171 1.804 -1.409) 3.155 20.990 ( 1.447 -0.220 1.611) 2.177 24.834 ( -0.087 -0.983 0.322) 1.038 24.866 ( 0.197 -0.260 -0.052) 0.330 32.449 ( -0.032 -0.536 0.060) 0.541 32.513 ( -0.633 1.686 -0.365) 1.838 42.876 ( -6.996 0.748 1.023) 7.110 43.734 ( 5.204 1.881 10.078) 11.497 44.380 ( -11.414 1.012 -1.099) 11.511 45.899 ( 6.491 12.665 -2.641) 14.474 ======================= Grid point 400 (224/294) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -14.637 12.432 20.050) 27.763 3.424 ( -5.871 -17.486 -21.298) 28.175 4.244 ( 7.330 5.622 4.368) 10.218 4.862 ( -4.114 5.277 -1.396) 6.835 4.974 ( 2.610 -2.733 13.156) 13.688 5.485 ( 13.967 -3.947 -0.396) 14.519 5.640 ( -4.963 5.891 11.886) 14.164 6.055 ( 0.653 -9.458 -2.464) 9.795 6.942 ( 3.510 5.750 -3.711) 7.691 7.555 ( 3.719 4.791 -4.876) 7.782 8.022 ( -9.800 16.066 -6.779) 20.003 8.549 ( 3.023 -15.263 8.858) 17.904 8.964 ( -5.557 -17.441 -8.606) 20.227 9.547 ( 3.277 -12.342 -6.193) 14.192 9.804 ( -1.484 14.409 2.893) 14.771 10.615 ( -0.728 0.581 -2.090) 2.288 10.717 ( 1.118 -0.502 2.898) 3.147 11.573 ( 1.269 4.509 -8.256) 9.492 20.513 ( 1.813 -1.555 -0.157) 2.394 20.613 ( -1.536 1.082 0.621) 1.979 20.875 ( 0.510 2.449 -1.523) 2.928 20.997 ( -1.132 -0.791 1.801) 2.270 24.825 ( 0.025 -0.877 0.194) 0.898 24.867 ( 0.014 0.058 -0.001) 0.059 32.447 ( 0.496 -0.651 -0.048) 0.820 32.518 ( -0.511 1.624 -0.130) 1.707 42.856 ( 2.492 0.811 3.378) 4.276 43.856 ( 1.144 -3.026 16.094) 16.416 44.231 ( -3.477 0.047 -7.023) 7.837 46.071 ( 0.032 11.627 -0.525) 11.639 ======================= Grid point 401 (225/294) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 2.205 17.653 17.692) 25.090 3.069 ( 2.111 -21.850 -20.407) 29.972 4.480 ( 8.382 1.735 2.858) 9.025 4.751 ( -6.344 -4.294 -3.503) 8.423 5.011 ( -1.722 -4.083 8.088) 9.222 5.610 ( 7.364 -9.863 1.322) 12.380 5.677 ( -4.245 10.244 16.037) 19.497 6.096 ( 13.854 -6.028 -1.919) 15.230 6.990 ( -1.169 3.454 -1.913) 4.118 7.536 ( -4.843 1.677 -3.989) 6.495 8.139 ( 0.142 22.924 -3.479) 23.186 8.458 ( -4.669 -14.741 -4.812) 16.194 8.682 ( 9.677 -22.823 1.355) 24.827 9.398 ( -2.382 -11.800 -6.755) 13.804 9.884 ( -7.517 13.228 0.749) 15.233 10.647 ( 2.807 2.914 -1.809) 4.432 10.724 ( 1.427 -3.397 0.764) 3.763 11.547 ( -8.693 9.694 -6.597) 14.596 20.556 ( 3.879 0.106 0.093) 3.881 20.608 ( -0.943 1.896 0.415) 2.158 20.881 ( -1.803 2.391 -1.447) 3.326 20.958 ( -3.208 -1.011 1.970) 3.898 24.820 ( 0.240 -0.741 0.019) 0.779 24.868 ( -0.149 0.329 0.010) 0.361 32.450 ( 0.605 -0.723 0.109) 0.949 32.527 ( -0.013 1.399 -0.086) 1.402 42.999 ( 10.095 0.464 4.162) 10.929 43.883 ( -3.402 -2.004 13.679) 14.238 44.185 ( 5.022 -6.175 -6.126) 10.044 46.129 ( -6.123 10.445 1.646) 12.219 ======================= Grid point 402 (226/294) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 9.541 -18.531 -13.603) 24.889 3.263 ( 14.928 9.685 8.974) 19.929 4.425 ( -9.409 -10.273 1.973) 14.070 4.586 ( -4.861 -7.251 -0.770) 8.764 4.970 ( -1.174 -2.618 3.297) 4.371 5.631 ( 4.446 -3.897 -1.878) 6.203 5.911 ( 8.843 8.782 13.814) 18.605 6.302 ( 14.325 -4.662 -0.506) 15.073 6.982 ( -2.361 4.419 0.038) 5.010 7.434 ( -4.994 -1.631 -2.485) 5.812 8.042 ( -7.860 -18.185 -3.148) 20.060 8.455 ( 7.833 13.403 -5.615) 16.508 8.795 ( 13.546 -10.138 6.797) 18.234 9.178 ( -5.287 -7.536 -8.490) 12.523 9.843 ( -12.170 14.068 1.317) 18.648 10.671 ( -0.108 -3.329 -0.209) 3.337 10.775 ( 5.904 2.651 -2.095) 6.803 11.380 ( -16.518 7.380 -5.707) 18.970 20.617 ( -0.749 3.005 0.647) 3.164 20.643 ( 4.156 1.016 -0.375) 4.295 20.852 ( -2.725 2.041 -1.138) 3.590 20.898 ( -3.542 -0.719 2.177) 4.219 24.818 ( 0.455 -0.670 -0.175) 0.828 24.868 ( -0.290 0.513 0.007) 0.589 32.453 ( 0.481 -0.965 0.197) 1.096 32.542 ( 0.165 1.177 0.044) 1.189 43.206 ( 10.131 -1.350 2.503) 10.522 43.869 ( -3.010 0.880 6.166) 6.917 44.207 ( 10.382 -11.370 -1.487) 15.468 46.103 ( -9.568 9.743 4.041) 14.240 ======================= Grid point 407 (227/294) ======================= q-point: ( 0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 23.226 -7.143 11.539) 26.900 3.171 ( -17.788 6.020 -19.598) 27.143 4.505 ( -0.727 3.961 0.527) 4.062 4.669 ( 4.511 -5.773 5.767) 9.324 5.095 ( 2.304 -3.673 -2.672) 5.093 5.678 ( 12.195 -3.031 -8.452) 15.144 5.924 ( -6.630 4.059 -10.309) 12.911 6.077 ( 6.946 8.260 -2.532) 11.086 6.954 ( -1.439 2.621 2.451) 3.866 7.429 ( -1.604 -1.066 9.570) 9.762 8.100 ( -18.566 14.525 1.816) 23.643 8.341 ( 14.327 -16.438 7.407) 23.029 8.774 ( 18.205 2.215 -8.176) 20.080 9.282 ( 5.995 -9.357 7.904) 13.637 9.895 ( -13.509 -0.563 -0.886) 13.550 10.611 ( -1.579 4.506 2.597) 5.435 10.722 ( 4.461 -1.384 0.989) 4.774 11.444 ( -11.271 -2.060 6.141) 13.000 20.554 ( 2.219 3.550 0.264) 4.195 20.618 ( -2.409 -0.055 -0.708) 2.512 20.860 ( -2.773 -0.322 1.212) 3.043 20.988 ( -1.337 -3.062 -1.688) 3.743 24.821 ( 0.918 -0.309 -0.160) 0.982 24.868 ( -0.364 0.033 -0.004) 0.365 32.453 ( 1.151 0.290 -0.174) 1.199 32.524 ( -1.560 0.740 0.377) 1.768 43.074 ( 4.541 8.217 -5.243) 10.753 43.958 ( -0.946 -6.065 6.444) 8.900 44.251 ( 9.442 0.429 -16.558) 19.066 46.117 ( -14.536 2.448 3.516) 15.154 ======================= Grid point 408 (228/294) ======================= q-point: ( 0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( 4.287 10.549 -9.393) 14.761 3.330 ( 24.000 7.719 8.464) 26.594 4.524 ( -2.760 2.068 5.114) 6.168 4.582 ( -8.605 -6.544 2.969) 11.211 5.007 ( -3.657 -2.820 -4.641) 6.547 5.723 ( -3.398 -5.175 -12.010) 13.512 5.805 ( 0.893 7.789 -6.558) 10.222 6.398 ( 11.142 10.015 1.971) 15.111 6.941 ( 0.153 -2.525 -0.984) 2.715 7.423 ( -4.467 2.400 3.144) 5.967 7.888 ( -18.476 13.041 -0.485) 22.620 8.489 ( 13.259 -11.316 6.325) 18.543 9.024 ( 10.554 1.644 -4.662) 11.655 9.372 ( 7.353 -11.783 11.466) 18.011 9.626 ( -9.523 -2.950 -1.785) 10.128 10.638 ( -1.670 4.195 2.495) 5.159 10.810 ( 5.593 0.107 -0.769) 5.647 11.256 ( -7.253 -7.735 4.352) 11.461 20.587 ( -0.229 0.476 -1.430) 1.525 20.639 ( 2.582 2.663 0.911) 3.819 20.793 ( -4.195 -1.614 0.837) 4.572 20.929 ( -0.670 -3.119 -1.069) 3.365 24.833 ( 0.801 -0.164 -0.125) 0.827 24.861 ( -0.305 -0.219 0.020) 0.376 32.474 ( 1.200 0.248 -0.489) 1.319 32.510 ( -1.448 1.092 0.538) 1.892 43.221 ( 4.190 10.230 -3.885) 11.717 43.833 ( -7.946 -4.550 -2.796) 9.574 44.428 ( 13.347 5.266 -4.360) 14.996 45.872 ( -15.834 -0.398 1.512) 15.911 ======================= Grid point 409 (229/294) ======================= q-point: ( 0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.319 ( 16.756 15.612 -3.476) 23.164 3.858 ( 17.382 5.969 10.066) 20.954 4.296 ( -8.228 -9.949 2.308) 13.115 4.564 ( -3.052 5.675 7.806) 10.122 4.917 ( -0.557 -3.487 -4.667) 5.852 5.466 ( -14.328 -4.323 -9.813) 17.896 5.842 ( -5.975 14.305 -4.768) 16.219 6.642 ( 6.652 4.549 0.142) 8.060 6.832 ( -6.282 -9.285 -2.595) 11.507 7.220 ( -20.762 10.055 -1.408) 23.112 7.996 ( 12.951 14.504 0.733) 19.458 8.576 ( 8.510 -15.717 4.372) 18.400 9.158 ( 5.180 -6.352 -4.072) 9.152 9.202 ( -8.011 -3.991 3.236) 9.517 9.693 ( 9.015 -1.199 6.239) 11.029 10.664 ( -1.740 4.244 1.623) 4.866 10.901 ( 7.534 -2.399 -3.075) 8.483 11.089 ( -4.735 -8.323 2.202) 9.826 20.592 ( 0.736 -0.073 -0.941) 1.197 20.700 ( 1.754 1.080 0.526) 2.126 20.710 ( -3.008 -1.644 0.063) 3.428 20.900 ( 0.329 -1.156 0.126) 1.208 24.843 ( 0.457 -0.043 -0.079) 0.466 24.854 ( -0.125 -0.485 0.035) 0.502 32.494 ( 0.301 0.436 -0.247) 0.585 32.498 ( -0.742 0.797 0.206) 1.109 43.376 ( 3.854 9.100 -1.068) 9.940 43.592 ( -12.671 -2.400 -4.716) 13.731 44.711 ( 10.424 6.693 1.765) 12.512 45.618 ( -11.392 0.131 -0.613) 11.409 ======================= Grid point 410 (230/294) ======================= q-point: (-0.50 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.691 ( 9.567 4.843 -10.105) 14.734 3.824 ( -13.218 -3.756 12.972) 18.897 4.399 ( 4.201 1.204 8.979) 9.986 4.657 ( 8.394 3.433 0.650) 9.092 4.862 ( 2.850 -8.512 -0.311) 8.982 5.103 ( -18.544 3.331 -3.279) 19.125 5.841 ( -10.669 19.604 -2.848) 22.500 6.418 ( -12.947 -12.791 -3.877) 18.609 6.834 ( 0.707 2.181 2.158) 3.149 7.131 ( -0.809 14.413 -4.638) 15.162 8.349 ( 6.169 0.205 3.626) 7.158 8.612 ( 15.987 -6.868 -0.065) 17.400 8.889 ( -10.885 -8.327 2.498) 13.931 9.322 ( 8.219 1.210 -6.085) 10.297 9.818 ( 2.453 -1.049 5.305) 5.938 10.673 ( -2.146 3.386 1.037) 4.141 10.885 ( -3.929 -8.148 -0.582) 9.065 11.064 ( 10.887 -2.516 -4.861) 12.186 20.572 ( -1.926 -1.627 0.320) 2.541 20.674 ( -0.317 0.315 -0.619) 0.763 20.743 ( 2.399 0.727 -0.373) 2.534 20.917 ( 1.663 0.016 1.078) 1.982 24.841 ( -0.320 -0.469 0.110) 0.578 24.854 ( 0.467 -0.138 -0.078) 0.493 32.475 ( -1.390 -0.250 0.388) 1.464 32.517 ( 0.607 1.218 -0.436) 1.429 43.299 ( -14.688 -0.650 -2.655) 14.940 43.548 ( 4.932 5.774 2.941) 8.143 44.803 ( -7.097 0.195 2.374) 7.486 45.592 ( 5.893 7.675 -0.898) 9.718 ======================= Grid point 411 (231/294) ======================= q-point: (-0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.469 ( -15.330 -6.086 -0.841) 16.516 3.778 ( -11.228 3.249 2.909) 12.045 4.284 ( -10.173 -4.632 -1.943) 11.345 4.822 ( 4.408 -11.505 1.902) 12.466 4.918 ( 15.426 -0.879 4.554) 16.108 5.006 ( -5.439 11.685 6.080) 14.251 5.878 ( -7.640 18.634 3.652) 20.468 6.101 ( -5.272 -13.258 -6.436) 15.652 6.862 ( -0.348 4.927 0.394) 4.955 7.317 ( 6.999 11.190 -4.508) 13.947 8.284 ( -1.223 -10.062 0.125) 10.137 8.587 ( -6.703 -13.988 5.081) 16.322 8.993 ( 10.695 6.120 -1.358) 12.397 9.368 ( 3.278 -2.914 -9.418) 10.389 9.834 ( -0.918 1.546 2.465) 3.051 10.685 ( -0.379 1.291 1.778) 2.229 10.736 ( -4.758 -3.014 -0.575) 5.662 11.245 ( 14.474 0.275 -7.573) 16.338 20.519 ( -2.015 -1.627 0.314) 2.609 20.674 ( -1.102 2.014 -0.015) 2.296 20.797 ( 3.155 1.183 -1.067) 3.534 20.962 ( 2.426 -0.119 1.581) 2.898 24.830 ( -0.302 -0.695 0.112) 0.766 24.861 ( 0.321 0.127 -0.032) 0.347 32.451 ( -0.906 -0.678 0.146) 1.140 32.534 ( -0.004 1.468 -0.154) 1.476 43.048 ( -12.114 -0.448 0.181) 12.124 43.706 ( 5.390 1.440 8.084) 9.823 44.587 ( -13.364 -3.158 -0.827) 13.756 45.860 ( 10.744 11.113 0.816) 15.479 ======================= Grid point 412 (232/294) ======================= q-point: (-0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( -12.762 -8.082 -8.647) 17.405 3.535 ( -24.473 8.193 10.976) 28.045 4.199 ( 3.853 0.144 3.345) 5.104 4.750 ( 5.370 -17.858 -3.724) 19.016 5.039 ( 1.203 0.121 -0.447) 1.289 5.221 ( 9.553 0.526 13.502) 16.548 5.863 ( -6.199 1.839 -1.349) 6.605 5.989 ( -1.871 2.980 5.885) 6.857 6.927 ( 2.538 4.561 -3.455) 6.259 7.495 ( 5.463 6.480 -5.437) 10.070 8.211 ( 0.472 1.418 -3.794) 4.077 8.388 ( -1.961 -16.606 7.783) 18.444 8.871 ( -10.576 -17.262 -10.341) 22.733 9.399 ( 2.462 -0.744 -2.554) 3.625 9.922 ( 3.206 10.764 -0.276) 11.235 10.635 ( -2.341 -0.377 -1.586) 2.852 10.716 ( -0.354 -0.584 2.092) 2.201 11.485 ( 12.204 8.799 -8.120) 17.097 20.484 ( -0.453 -0.915 0.152) 1.032 20.674 ( -2.033 3.294 0.270) 3.880 20.859 ( 2.788 1.836 -1.366) 3.607 21.001 ( 1.118 -0.584 1.958) 2.329 24.818 ( -0.177 -0.784 0.040) 0.805 24.867 ( 0.164 0.345 0.001) 0.382 32.436 ( -0.091 -0.673 -0.038) 0.680 32.543 ( -0.535 1.395 0.073) 1.496 42.895 ( -5.218 -0.970 3.028) 6.111 43.838 ( 4.602 -3.677 12.933) 14.212 44.324 ( -10.894 -3.680 -4.243) 12.256 46.131 ( 6.276 10.897 1.643) 12.681 ======================= Grid point 413 (233/294) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -5.707 -17.964 -19.307) 26.982 3.363 ( -18.645 19.515 21.042) 34.223 4.350 ( 8.795 -3.125 4.119) 10.202 4.628 ( 4.572 -16.917 -7.322) 18.992 5.013 ( -1.179 -6.388 1.695) 6.713 5.353 ( 7.335 -13.955 9.529) 18.422 5.873 ( 5.778 4.183 -3.872) 8.117 6.034 ( -7.799 11.781 17.125) 22.201 6.977 ( 2.462 0.440 -5.194) 5.765 7.549 ( 0.649 0.251 -8.818) 8.845 8.235 ( 3.840 -31.539 -0.314) 31.774 8.317 ( 4.979 13.165 -3.480) 14.499 8.455 ( -10.400 -6.022 0.126) 12.019 9.333 ( -3.407 -5.643 -3.633) 7.527 10.073 ( -0.102 11.363 -1.089) 11.416 10.621 ( 1.149 1.620 -1.849) 2.714 10.687 ( -0.913 -3.774 0.533) 3.920 11.709 ( 2.234 16.346 -8.297) 18.467 20.496 ( 2.315 0.322 0.114) 2.340 20.675 ( -2.231 4.129 0.330) 4.705 20.903 ( 0.676 1.802 -1.536) 2.463 21.004 ( -1.259 -0.589 2.374) 2.751 24.809 ( 0.044 -0.813 -0.095) 0.820 24.873 ( 0.007 0.516 -0.010) 0.516 32.434 ( 0.519 -0.482 -0.074) 0.712 32.546 ( -0.571 1.120 0.163) 1.267 42.890 ( 3.825 -1.748 4.803) 6.384 43.923 ( 2.659 -7.587 16.670) 18.508 44.103 ( -5.948 -4.782 -8.017) 11.069 46.298 ( -0.241 10.034 2.285) 10.294 ======================= Grid point 414 (234/294) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 3.499 -22.699 -17.113) 28.642 3.433 ( -8.276 13.226 17.013) 23.083 4.366 ( 2.739 -14.417 -1.801) 14.785 4.534 ( 1.360 -5.873 -2.165) 6.405 4.917 ( -0.035 -10.227 2.144) 10.449 5.379 ( 10.824 -15.805 2.251) 19.288 6.062 ( 9.565 5.429 -1.171) 11.060 6.122 ( -6.297 10.789 17.540) 21.534 6.980 ( 3.101 -3.189 -3.055) 5.396 7.421 ( -1.618 -12.561 -12.189) 17.578 7.916 ( -4.400 -15.503 -1.801) 16.215 8.462 ( 4.560 2.454 4.369) 6.775 8.550 ( 8.176 5.411 2.286) 10.067 9.178 ( -4.363 -3.442 -5.322) 7.695 10.128 ( -4.932 11.057 -0.697) 12.128 10.632 ( -0.246 -4.830 0.049) 4.837 10.687 ( 5.164 2.713 -1.983) 6.161 11.741 ( -13.420 16.827 -9.010) 23.333 20.571 ( 4.814 1.882 0.009) 5.169 20.684 ( -1.964 4.572 0.225) 4.981 20.895 ( -1.937 0.488 -0.770) 2.141 20.977 ( -3.109 0.485 2.141) 3.806 24.803 ( 0.306 -0.832 -0.263) 0.924 24.878 ( -0.147 0.611 -0.036) 0.629 32.439 ( 0.432 -0.395 0.012) 0.586 32.551 ( -0.037 0.837 0.175) 0.856 43.024 ( 10.033 -2.632 4.455) 11.289 43.911 ( -2.822 -4.909 -2.383) 6.144 43.989 ( 3.855 -10.859 8.990) 14.615 46.354 ( -5.717 9.415 3.306) 11.500 ======================= Grid point 480 (235/294) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -0.000 0.000 35.243) 35.243 1.746 ( -0.000 0.000 35.243) 35.243 2.863 ( -0.000 0.000 57.517) 57.517 4.311 ( 0.000 -0.000 -11.106) 11.106 4.311 ( 0.000 -0.000 -11.106) 11.106 5.253 ( 0.000 0.000 -0.037) 0.037 5.253 ( 0.000 0.000 -0.037) 0.037 5.854 ( -0.000 0.000 5.377) 5.377 6.533 ( 0.000 -0.000 -9.700) 9.700 7.560 ( 0.000 -0.000 -0.872) 0.872 7.560 ( 0.000 -0.000 -0.872) 0.872 8.407 ( 0.000 -0.000 -33.046) 33.046 8.883 ( 0.000 -0.000 -3.196) 3.196 8.883 ( 0.000 -0.000 -3.196) 3.196 10.622 ( -0.000 0.000 2.706) 2.706 10.622 ( -0.000 0.000 2.706) 2.706 11.131 ( -0.000 0.000 19.008) 19.008 13.113 ( 0.000 -0.000 -6.759) 6.759 20.872 ( 0.000 -0.000 -0.120) 0.120 20.872 ( 0.000 0.000 -0.120) 0.120 20.971 ( -0.000 0.000 0.209) 0.209 20.971 ( -0.000 0.000 0.209) 0.209 24.988 ( -0.000 0.000 2.636) 2.636 25.324 ( 0.000 -0.000 -2.275) 2.275 32.518 ( -0.000 0.000 0.000) 0.000 32.530 ( -0.000 0.000 0.023) 0.023 42.629 ( 0.000 0.000 0.352) 0.352 42.629 ( 0.000 0.000 0.352) 0.352 43.272 ( 0.000 0.000 -0.350) 0.350 43.272 ( 0.000 0.000 -0.350) 0.350 ======================= Grid point 481 (236/294) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -7.261 6.744 30.951) 32.498 2.254 ( 4.766 6.908 36.943) 37.884 3.518 ( 31.780 7.610 42.628) 53.712 4.027 ( -1.502 -6.885 -13.670) 15.380 4.577 ( 11.884 13.273 -7.504) 19.332 5.146 ( 0.266 -9.063 -1.188) 9.144 5.260 ( -8.621 6.909 3.725) 11.659 5.922 ( 6.560 -0.456 3.646) 7.520 6.449 ( -2.354 -0.399 -10.162) 10.439 7.445 ( -12.739 5.957 -7.131) 15.767 7.601 ( 9.259 -9.394 -1.897) 13.326 8.343 ( 9.191 2.744 -23.099) 25.011 8.880 ( -1.901 8.714 -4.941) 10.197 8.982 ( 8.794 1.974 -0.823) 9.051 10.597 ( -3.834 2.167 4.361) 6.198 10.636 ( 1.651 -5.087 2.821) 6.047 11.256 ( 0.661 1.562 14.480) 14.579 12.865 ( -18.478 -11.704 -6.187) 22.731 20.835 ( -2.268 -0.529 0.288) 2.347 20.876 ( 0.752 -1.827 -0.277) 1.996 20.949 ( -1.665 0.692 -0.166) 1.811 20.980 ( -0.635 -0.250 -0.385) 0.783 24.990 ( -1.072 -0.625 2.439) 2.737 25.187 ( -8.620 -4.980 1.371) 10.049 32.497 ( -1.328 -0.796 -0.074) 1.550 32.517 ( -1.026 -0.527 0.015) 1.153 42.782 ( 13.741 -5.220 -2.214) 14.864 43.061 ( 26.744 15.635 -14.487) 34.199 43.169 ( -5.159 13.020 1.146) 14.052 43.662 ( 29.635 13.871 -5.959) 33.259 ======================= Grid point 482 (237/294) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 2.653 21.815 19.644) 29.476 2.578 ( 5.883 7.379 33.236) 34.550 3.796 ( 5.980 -6.086 -10.389) 13.444 4.372 ( 18.654 -0.257 20.147) 27.458 4.836 ( 1.600 0.573 -3.915) 4.268 5.083 ( 6.016 5.908 -3.370) 9.080 5.399 ( 15.879 13.184 10.796) 23.292 6.035 ( 6.861 -2.364 -5.467) 9.086 6.366 ( -1.618 1.513 -9.106) 9.371 7.192 ( -15.352 3.812 -6.256) 17.010 7.741 ( 16.239 -6.130 -1.235) 17.401 8.464 ( 12.805 1.557 -15.372) 20.067 8.895 ( -5.189 10.854 -5.223) 13.116 9.201 ( 9.056 6.654 4.307) 12.034 10.530 ( -7.406 -4.596 4.423) 9.774 10.626 ( 0.292 -1.366 1.727) 2.221 11.326 ( -1.453 0.725 12.719) 12.822 12.242 ( -29.086 -19.542 -4.661) 35.349 20.776 ( -3.691 -1.264 0.818) 3.986 20.858 ( 0.251 -4.189 -1.175) 4.358 20.933 ( -2.832 0.077 -0.844) 2.956 20.948 ( -0.414 2.108 -0.495) 2.204 24.965 ( -1.920 -1.149 1.654) 2.783 25.022 ( -6.080 -3.519 2.778) 7.554 32.465 ( -1.267 -0.829 -0.368) 1.558 32.495 ( -0.737 -0.273 -0.232) 0.819 42.891 ( 4.816 -0.808 -8.699) 9.976 43.224 ( 13.095 -5.943 8.005) 16.458 43.658 ( 17.441 28.814 -11.126) 35.471 44.323 ( 31.130 15.925 -19.552) 40.062 ======================= Grid point 483 (238/294) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 5.318 23.535 7.680) 25.321 2.984 ( 12.752 11.130 23.318) 28.813 3.923 ( 15.840 2.916 -4.283) 16.667 4.500 ( -13.834 -9.883 0.391) 17.006 4.602 ( 1.131 -5.400 4.411) 7.064 5.473 ( 21.805 12.103 -7.436) 26.024 6.026 ( 5.171 10.157 -4.221) 12.154 6.048 ( 22.704 -3.344 6.610) 23.882 6.322 ( -1.168 5.675 -9.978) 11.538 6.963 ( -9.239 -2.986 1.433) 9.815 7.989 ( 14.497 0.193 -2.190) 14.662 8.650 ( 13.244 2.029 -6.931) 15.085 8.855 ( -7.795 9.690 -4.161) 13.113 9.417 ( 4.191 5.351 7.212) 9.910 10.280 ( -14.236 -9.983 1.806) 17.481 10.628 ( -1.711 2.090 1.568) 3.123 11.363 ( -3.279 -2.971 15.810) 16.417 11.541 ( -23.101 -16.732 -6.262) 29.204 20.697 ( -3.902 -1.872 0.328) 4.340 20.802 ( -1.255 -3.589 -0.370) 3.820 20.853 ( -3.992 -1.114 -1.197) 4.314 20.986 ( 1.142 2.609 -0.932) 2.996 24.918 ( -2.620 -1.621 1.629) 3.486 24.937 ( -2.499 -1.418 1.062) 3.063 32.439 ( -0.701 -0.347 -0.047) 0.783 32.485 ( -0.068 -0.078 -0.742) 0.749 42.896 ( 2.716 0.011 -8.777) 9.188 43.490 ( 15.557 -2.922 9.390) 18.405 44.138 ( 13.554 23.594 -14.375) 30.774 44.809 ( 21.854 9.906 -12.348) 26.986 ======================= Grid point 484 (239/294) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 3.997 21.296 -2.831) 21.852 3.446 ( 13.552 11.819 13.991) 22.784 4.058 ( -15.875 -12.111 2.336) 20.104 4.329 ( 20.098 9.255 0.897) 22.145 4.687 ( 6.106 1.984 0.964) 6.492 5.869 ( 13.576 -1.102 -15.405) 20.563 5.958 ( 7.637 -3.891 -9.992) 13.164 6.205 ( -2.786 5.723 -11.615) 13.245 6.508 ( 0.432 2.378 12.900) 13.125 6.953 ( 13.205 -2.739 8.357) 15.866 8.081 ( -7.400 4.874 -7.265) 11.458 8.799 ( -0.880 3.638 9.444) 10.159 8.913 ( 11.868 3.093 -7.360) 14.303 9.509 ( -0.960 0.633 6.832) 6.928 9.930 ( -14.376 -6.818 1.620) 15.993 10.619 ( -3.644 3.029 1.880) 5.098 11.026 ( -12.233 -12.805 -0.834) 17.729 11.395 ( -2.039 -2.561 9.248) 9.811 20.614 ( -3.071 -2.175 -0.224) 3.769 20.727 ( -3.604 -2.828 -0.021) 4.581 20.799 ( -0.773 0.223 -0.536) 0.967 21.018 ( 0.726 1.486 -1.040) 1.954 24.876 ( -1.533 -0.957 1.063) 2.097 24.896 ( -1.444 -0.850 -0.008) 1.676 32.438 ( 0.365 0.481 0.516) 0.794 32.479 ( 0.086 -0.243 -0.953) 0.987 42.905 ( 3.196 0.034 -7.554) 8.202 43.766 ( 12.670 -1.676 9.347) 15.834 44.380 ( 3.484 14.555 -23.170) 27.583 45.228 ( 19.507 9.208 2.200) 21.683 ======================= Grid point 485 (240/294) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 2.297 19.935 -11.410) 23.084 3.495 ( -17.801 -6.266 8.154) 20.557 4.045 ( 15.202 7.470 2.098) 17.068 4.669 ( 7.923 0.849 5.256) 9.546 4.925 ( 13.366 10.964 -2.247) 17.433 5.755 ( 0.499 -9.081 -17.996) 20.163 5.949 ( 1.863 -9.570 -14.192) 17.219 6.175 ( -7.554 0.177 1.338) 7.674 6.647 ( 13.011 0.396 8.253) 15.413 7.255 ( 12.669 0.659 8.394) 15.212 7.868 ( -14.230 8.808 -3.030) 17.007 8.824 ( -6.110 -0.206 5.434) 8.179 9.043 ( 1.638 -1.482 -0.846) 2.366 9.508 ( -0.586 -6.178 9.790) 11.591 9.749 ( -3.816 4.096 -2.179) 6.007 10.580 ( -4.259 1.595 2.829) 5.356 10.812 ( -2.369 -5.219 -2.249) 6.157 11.379 ( -0.931 -2.840 8.281) 8.804 20.552 ( -1.672 -2.029 -0.033) 2.629 20.646 ( -2.693 -1.157 -0.473) 2.969 20.811 ( 1.187 0.958 0.421) 1.583 21.029 ( -0.072 0.837 -1.055) 1.349 24.851 ( -1.042 -0.633 0.144) 1.228 24.872 ( -0.556 -0.358 -0.044) 0.663 32.456 ( 0.230 -0.024 0.510) 0.560 32.479 ( 0.847 0.626 -0.452) 1.146 42.922 ( 3.194 -0.780 -6.270) 7.080 43.976 ( 7.637 -1.585 8.775) 11.741 44.347 ( -3.829 6.797 -23.662) 24.914 45.666 ( 16.918 9.135 6.313) 20.237 ======================= Grid point 486 (241/294) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( -2.577 7.092 -4.999) 9.051 3.197 ( -12.438 9.940 -0.394) 15.927 4.327 ( 11.020 -1.221 -5.680) 12.457 4.774 ( -0.705 0.945 7.642) 7.733 5.109 ( 0.447 -0.420 -3.619) 3.671 5.592 ( 2.135 -11.597 -13.288) 17.765 5.820 ( -0.646 -2.473 -6.059) 6.576 6.026 ( -4.559 -1.616 -3.170) 5.783 6.879 ( 7.698 -0.102 4.292) 8.814 7.455 ( 5.490 -0.056 7.892) 9.614 7.930 ( 8.585 12.851 4.734) 16.164 8.655 ( -11.065 -2.044 -1.961) 11.421 8.841 ( -20.206 -10.227 4.316) 23.054 9.439 ( -5.121 -5.753 7.465) 10.726 9.849 ( 8.340 6.849 -2.832) 11.157 10.575 ( 0.534 1.101 2.931) 3.176 10.749 ( -1.624 -1.703 -0.788) 2.482 11.445 ( 6.084 1.123 7.286) 9.558 20.511 ( -0.481 -2.422 0.145) 2.474 20.623 ( 0.146 1.872 -0.662) 1.991 20.854 ( 2.141 0.749 1.127) 2.533 21.023 ( -0.794 0.843 -1.441) 1.849 24.828 ( -0.878 -0.533 -0.210) 1.048 24.867 ( 0.086 0.025 -0.001) 0.089 32.447 ( -0.362 -0.848 -0.046) 0.924 32.514 ( 1.359 1.446 0.292) 2.006 42.925 ( 2.238 -2.317 -5.281) 6.186 44.078 ( 2.967 -4.911 3.625) 6.787 44.179 ( -8.558 5.069 -15.830) 18.696 46.039 ( 13.105 7.533 3.871) 15.604 ======================= Grid point 493 (242/294) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 6.815 2.148 29.332) 30.190 2.619 ( 5.412 26.236 32.197) 41.884 3.647 ( -9.556 16.651 47.510) 51.242 3.900 ( -4.940 -10.273 -17.837) 21.168 4.504 ( 4.376 14.617 -12.301) 19.599 5.077 ( -2.724 -10.486 4.712) 11.814 5.425 ( 7.454 10.224 -2.293) 12.859 5.894 ( -5.591 -0.323 6.011) 8.216 6.385 ( 0.796 -2.038 -11.977) 12.175 7.316 ( 5.205 -13.710 -1.468) 14.738 7.679 ( -5.260 5.923 -5.112) 9.427 8.177 ( -2.491 7.151 -23.491) 24.681 8.850 ( 7.008 2.407 -1.227) 7.511 8.979 ( -2.151 8.545 -2.815) 9.251 10.571 ( 0.474 -6.582 4.646) 8.071 10.668 ( -1.675 0.475 2.412) 2.975 11.338 ( 0.877 0.137 14.048) 14.076 12.922 ( -0.751 -8.899 -8.951) 12.645 20.813 ( 0.109 -3.972 0.324) 3.987 20.878 ( -0.819 -1.105 0.294) 1.406 20.956 ( 0.858 -0.357 -0.524) 1.067 20.981 ( 0.067 -0.309 -0.198) 0.373 25.002 ( -0.006 -1.467 2.523) 2.918 25.191 ( 0.001 -8.822 0.515) 8.837 32.496 ( -0.023 -1.694 -0.020) 1.694 32.519 ( 0.053 -0.962 -0.002) 0.964 42.549 ( -4.879 -1.935 0.592) 5.282 42.968 ( 1.817 10.368 -8.364) 13.444 43.446 ( 8.247 12.071 -0.706) 14.636 43.599 ( -5.337 45.739 -7.931) 46.728 ======================= Grid point 494 (243/294) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 6.985 22.180 19.291) 30.214 2.972 ( -11.327 24.152 24.932) 36.513 3.641 ( -3.386 -3.681 -5.917) 7.748 4.121 ( 20.392 2.709 27.819) 34.599 4.707 ( 11.125 4.896 -12.963) 17.770 4.985 ( 1.121 -5.458 1.732) 5.835 5.562 ( -4.054 13.926 10.098) 17.673 5.875 ( 4.575 -2.155 -6.611) 8.324 6.345 ( 1.179 3.862 -11.293) 11.993 7.341 ( 6.192 -9.375 1.904) 11.395 7.544 ( -8.315 6.917 -3.146) 11.264 8.194 ( 9.976 3.487 -17.841) 20.736 8.999 ( 1.356 6.195 -4.879) 8.001 9.110 ( 9.673 9.767 1.481) 13.826 10.515 ( -1.037 -9.602 4.382) 10.605 10.664 ( -0.948 1.173 2.166) 2.639 11.394 ( -0.146 -4.242 12.887) 13.568 12.546 ( -23.622 -11.966 -8.501) 27.811 20.786 ( 1.423 -4.899 0.681) 5.147 20.834 ( -2.944 -1.162 -0.055) 3.165 20.958 ( 0.391 0.084 -0.584) 0.708 20.960 ( -1.636 -1.044 -0.947) 2.159 24.985 ( -1.156 -2.108 1.850) 3.034 25.074 ( -3.840 -6.699 1.875) 7.946 32.470 ( -0.806 -1.505 -0.199) 1.719 32.504 ( -0.633 -0.611 -0.141) 0.891 42.663 ( 15.373 -2.466 -0.029) 15.569 43.007 ( 0.160 3.342 -5.052) 6.060 43.707 ( 11.537 18.823 -2.071) 22.175 44.135 ( 11.793 43.225 -16.416) 47.717 ======================= Grid point 495 (244/294) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 0.630 35.753 7.849) 36.610 3.134 ( -1.131 15.596 17.533) 23.493 3.678 ( 8.254 4.664 2.100) 9.711 4.458 ( 9.191 -5.837 7.809) 13.399 4.622 ( -8.809 -11.502 -3.265) 14.851 5.186 ( 18.688 4.574 -3.346) 19.529 5.745 ( 5.399 -4.563 -0.557) 7.091 5.983 ( 12.888 12.912 2.824) 18.460 6.370 ( -0.306 11.236 -12.765) 17.009 7.159 ( -14.429 -4.312 0.550) 15.069 7.719 ( 14.710 4.396 5.717) 16.382 8.381 ( 15.372 4.928 -11.583) 19.868 9.023 ( -3.028 7.009 -5.240) 9.260 9.379 ( 9.157 5.496 3.038) 11.103 10.362 ( -7.160 -11.119 2.358) 13.433 10.674 ( -0.514 1.447 0.613) 1.653 11.406 ( 0.717 -8.227 14.600) 16.773 11.877 ( -32.332 -11.500 -6.158) 34.864 20.748 ( -2.363 -3.359 -1.391) 4.336 20.773 ( -0.968 -2.426 1.994) 3.286 20.895 ( -3.330 -1.530 -1.586) 3.993 20.972 ( 1.348 0.206 -0.814) 1.588 24.944 ( -1.835 -2.357 1.147) 3.199 24.971 ( -3.004 -3.498 1.595) 4.879 32.444 ( -0.571 -0.767 -0.153) 0.969 32.488 ( -0.570 -0.008 -0.463) 0.734 42.860 ( 3.147 5.290 -5.050) 7.961 43.108 ( 17.262 -5.505 1.261) 18.162 44.148 ( 14.164 22.419 -3.523) 26.752 44.597 ( 11.427 26.742 -15.070) 32.754 ======================= Grid point 496 (245/294) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -8.744 38.855 -2.025) 39.878 3.471 ( 8.991 14.665 16.501) 23.836 4.017 ( 19.764 6.253 5.312) 21.400 4.263 ( -12.541 -6.468 -4.515) 14.815 4.572 ( 5.809 -4.664 4.491) 8.699 5.518 ( 18.493 -1.753 -5.617) 19.407 5.660 ( 4.014 -12.300 -16.410) 20.897 6.327 ( -1.062 15.576 -4.748) 16.318 6.545 ( 14.832 10.759 4.327) 18.828 6.857 ( -11.227 -10.702 5.191) 16.356 8.054 ( 11.752 6.102 4.878) 14.112 8.665 ( 14.587 6.256 -6.996) 17.346 8.976 ( -6.428 5.108 -1.820) 8.410 9.529 ( 2.852 -0.214 2.777) 3.986 10.092 ( -11.914 -8.045 0.859) 14.402 10.680 ( 0.023 0.972 -0.853) 1.294 11.229 ( -24.765 -9.783 0.718) 26.637 11.415 ( -0.106 -8.333 11.310) 14.049 20.657 ( -3.852 -1.676 -0.883) 4.293 20.744 ( -1.213 -2.964 1.422) 3.504 20.816 ( -2.500 -0.967 -1.420) 3.033 20.994 ( 1.741 -0.524 -1.027) 2.088 24.897 ( -1.609 -1.833 1.117) 2.683 24.912 ( -1.732 -1.640 0.161) 2.391 32.439 ( 0.301 0.341 0.272) 0.530 32.478 ( -0.442 0.152 -0.705) 0.846 42.889 ( -1.574 6.848 -5.454) 8.895 43.419 ( 21.852 -6.509 2.207) 22.907 44.476 ( 0.418 22.757 -13.821) 26.629 44.993 ( 18.625 12.055 0.033) 22.186 ======================= Grid point 497 (246/294) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( -11.168 34.381 -9.343) 37.338 3.730 ( -5.373 0.046 10.156) 11.490 4.009 ( -2.238 6.798 5.167) 8.827 4.555 ( 15.922 8.179 6.999) 19.220 4.706 ( 15.462 3.293 -3.248) 16.138 5.505 ( 4.208 -14.525 -16.806) 22.608 5.671 ( 9.292 -5.693 -13.967) 17.715 6.395 ( -10.701 8.040 0.771) 13.407 6.560 ( -0.037 -2.581 6.705) 7.185 7.010 ( 19.048 -0.780 5.720) 19.903 8.185 ( -8.560 8.614 2.466) 12.392 8.873 ( 9.718 0.095 -5.920) 11.379 8.947 ( -1.861 2.303 3.232) 4.383 9.511 ( -2.204 -5.656 3.951) 7.242 9.880 ( -7.731 -0.234 0.943) 7.792 10.689 ( 0.230 1.397 -1.328) 1.941 10.831 ( -13.005 -4.047 -0.419) 13.627 11.380 ( -0.178 -10.338 11.916) 15.776 20.580 ( -3.180 -0.924 -0.320) 3.327 20.680 ( -2.877 -1.618 -0.153) 3.305 20.795 ( 0.809 -0.589 0.099) 1.005 21.009 ( 1.517 -1.071 -1.009) 2.113 24.864 ( -1.160 -1.016 0.347) 1.581 24.878 ( -0.792 -0.814 -0.086) 1.139 32.461 ( 0.264 0.847 0.688) 1.123 32.469 ( 0.372 0.394 -0.693) 0.879 42.903 ( -1.360 6.148 -4.457) 7.715 43.711 ( 17.433 -5.756 0.054) 18.359 44.504 ( -8.887 16.170 -14.346) 23.372 45.452 ( 20.137 6.712 5.787) 22.001 ======================= Grid point 498 (247/294) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( -10.957 23.905 -10.923) 28.475 3.552 ( -14.068 5.246 6.674) 16.431 4.165 ( 4.030 4.165 -0.425) 5.811 4.791 ( 6.714 4.792 6.291) 10.374 5.023 ( 7.891 0.568 -3.523) 8.661 5.325 ( 2.488 -15.267 -13.788) 20.721 5.719 ( 9.204 4.841 -13.343) 16.917 6.147 ( -13.037 -7.561 7.919) 17.024 6.760 ( 9.472 5.182 2.067) 10.993 7.303 ( 13.331 -2.297 5.119) 14.464 8.110 ( -8.635 11.642 5.819) 15.620 8.772 ( -11.438 -4.660 -7.072) 14.232 9.043 ( 1.657 -0.863 2.834) 3.395 9.422 ( -1.418 -11.335 10.789) 15.712 9.811 ( -1.256 4.320 -3.748) 5.856 10.655 ( -5.916 2.599 2.821) 7.051 10.720 ( 2.037 -1.108 -3.344) 4.070 11.363 ( 3.866 -8.306 9.525) 13.216 20.522 ( -2.461 -0.905 -0.054) 2.623 20.641 ( -0.738 1.205 -0.467) 1.489 20.818 ( 2.283 -0.898 0.863) 2.601 21.013 ( 0.902 -1.182 -1.239) 1.935 24.838 ( -0.957 -0.517 -0.210) 1.108 24.866 ( -0.059 -0.292 0.044) 0.301 32.451 ( -0.748 -0.188 -0.189) 0.794 32.507 ( 1.492 1.512 0.406) 2.163 42.911 ( -1.864 5.077 -3.538) 6.463 43.878 ( 9.349 -5.661 -6.115) 12.524 44.402 ( -10.818 10.965 -5.851) 16.477 45.851 ( 16.954 3.167 3.813) 17.663 ======================= Grid point 505 (248/294) ======================= q-point: ( 0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 3.546 13.719 24.881) 28.633 2.835 ( 8.864 14.186 36.165) 39.846 3.758 ( -2.004 -2.160 -21.585) 21.786 4.426 ( -16.449 12.655 24.959) 32.460 4.658 ( -15.441 13.485 -2.134) 20.611 5.076 ( -7.214 -7.065 11.019) 14.946 5.296 ( 8.941 6.722 -8.747) 14.200 6.048 ( -3.914 3.468 -3.737) 6.428 6.311 ( -0.019 3.398 -10.223) 10.773 7.120 ( 3.521 -8.148 3.140) 9.415 7.753 ( -4.465 3.480 -7.544) 9.432 8.309 ( -11.443 10.377 -17.886) 23.634 8.781 ( 2.594 0.365 0.462) 2.660 9.125 ( -6.297 6.870 2.042) 9.540 10.526 ( 0.355 -7.535 4.794) 8.937 10.693 ( 0.934 0.140 0.999) 1.375 11.360 ( 0.893 -5.294 12.982) 14.048 12.582 ( 22.125 -10.080 -9.159) 25.981 20.783 ( 0.032 -3.001 -0.341) 3.021 20.870 ( -1.076 -2.946 1.160) 3.344 20.918 ( 2.337 -0.730 -1.310) 2.777 20.959 ( 1.743 -0.836 -0.136) 1.938 24.986 ( 1.130 -2.062 1.847) 2.990 25.074 ( 3.836 -6.696 1.851) 7.936 32.472 ( 0.750 -1.340 -0.264) 1.558 32.501 ( 0.709 -0.827 -0.056) 1.090 42.809 ( -19.621 -0.529 -3.227) 19.892 42.999 ( -3.228 3.411 -5.263) 7.054 43.555 ( -2.964 20.692 0.246) 20.904 44.156 ( -13.228 39.679 -15.488) 44.602 ======================= Grid point 506 (249/294) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 7.735 20.666 16.169) 27.356 3.333 ( -0.491 10.472 10.901) 15.124 3.645 ( 11.987 7.836 -0.248) 14.323 4.351 ( -15.367 8.874 15.214) 23.374 4.581 ( -7.391 8.967 2.190) 11.826 4.942 ( -1.549 -9.395 3.816) 10.258 5.551 ( 14.172 5.507 -5.692) 16.235 5.914 ( -7.297 -3.017 -5.465) 9.603 6.347 ( -0.251 12.902 -6.264) 14.345 7.197 ( 4.493 0.324 10.342) 11.280 7.701 ( 0.431 4.660 -6.562) 8.060 8.111 ( -8.578 5.273 -14.926) 18.005 8.929 ( 7.581 5.348 -1.024) 9.334 9.152 ( -0.470 8.864 2.102) 9.122 10.469 ( -0.817 -8.279 4.373) 9.398 10.691 ( -0.639 -0.262 1.405) 1.566 11.365 ( 1.429 -11.581 12.048) 16.773 12.606 ( -1.463 -10.266 -13.856) 17.307 20.729 ( -0.570 -4.910 0.953) 5.034 20.848 ( -0.136 -1.822 0.220) 1.840 20.926 ( 1.286 -2.307 -0.914) 2.795 20.969 ( -0.188 0.008 -0.534) 0.566 24.980 ( -0.031 -2.839 1.504) 3.213 25.044 ( 0.006 -6.749 1.644) 6.946 32.461 ( -0.123 -1.505 -0.210) 1.525 32.499 ( 0.177 -0.723 -0.237) 0.781 42.558 ( -4.114 1.595 1.257) 4.588 43.095 ( 0.084 10.643 -1.916) 10.815 43.673 ( 3.181 12.581 -2.158) 13.155 44.433 ( 0.570 45.259 -16.913) 48.319 ======================= Grid point 507 (250/294) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 15.617 12.678 1.433) 20.166 3.329 ( -3.430 17.094 -5.348) 18.236 4.050 ( -6.728 24.817 22.718) 34.312 4.278 ( 0.909 -3.542 -4.975) 6.175 4.599 ( -1.365 -2.838 11.128) 11.565 4.914 ( 9.920 -5.936 1.218) 11.625 5.675 ( -2.185 -5.252 -13.094) 14.276 5.886 ( 11.996 6.570 4.792) 14.492 6.456 ( -1.594 16.931 -8.173) 18.868 7.299 ( -2.323 -0.726 7.747) 8.120 7.746 ( -4.340 11.484 3.278) 12.707 8.112 ( 13.761 5.816 -10.404) 18.205 9.051 ( 2.773 4.071 -4.772) 6.858 9.305 ( 5.919 5.779 3.853) 9.126 10.367 ( -3.671 -8.868 2.734) 9.980 10.687 ( -0.412 -0.196 0.207) 0.501 11.322 ( 2.935 -16.017 12.563) 20.567 12.218 ( -21.484 -9.358 -13.088) 26.840 20.690 ( 1.034 -5.281 1.147) 5.502 20.813 ( -2.317 -0.940 -0.312) 2.520 20.908 ( -0.197 -3.050 -1.027) 3.225 20.953 ( -0.690 0.260 -0.690) 1.010 24.947 ( -0.976 -2.988 1.008) 3.301 24.978 ( -1.547 -4.552 1.314) 4.984 32.442 ( -0.331 -0.897 -0.108) 0.963 32.492 ( -0.183 -0.180 -0.536) 0.595 42.672 ( 12.301 1.695 2.051) 12.585 43.120 ( -7.472 10.139 0.158) 12.595 43.991 ( 18.446 13.101 -1.836) 22.699 44.770 ( 0.250 35.836 -16.441) 39.428 ======================= Grid point 508 (251/294) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( 27.674 5.389 -4.180) 28.502 3.513 ( -4.003 31.071 -3.467) 31.519 4.203 ( -10.572 18.354 21.385) 30.099 4.226 ( 1.231 -0.584 -10.119) 10.210 4.546 ( -4.538 -2.548 10.386) 11.617 5.108 ( 16.346 -12.314 -5.138) 21.100 5.528 ( -1.984 -0.799 -6.971) 7.292 6.263 ( 20.811 3.141 4.778) 21.582 6.523 ( -3.980 17.400 -11.216) 21.081 7.111 ( -18.406 -4.404 8.103) 20.587 7.922 ( 12.329 4.937 2.231) 13.467 8.475 ( 15.144 14.421 -1.313) 20.953 9.071 ( -1.553 2.627 -3.898) 4.951 9.448 ( 5.316 -1.419 2.262) 5.949 10.188 ( -7.941 -7.427 -0.177) 10.874 10.666 ( -0.512 -1.413 -2.031) 2.527 11.293 ( 4.235 -17.407 14.496) 23.045 11.641 ( -27.064 -4.942 -8.854) 28.901 20.662 ( 0.346 -3.929 0.318) 3.957 20.757 ( -2.621 -1.173 0.601) 2.934 20.845 ( -2.750 -1.967 -1.518) 3.706 20.952 ( 1.042 -0.890 -0.790) 1.582 24.905 ( -1.170 -2.396 0.963) 2.835 24.921 ( -1.469 -2.470 0.264) 2.886 32.437 ( 0.274 0.111 0.201) 0.358 32.485 ( -0.365 0.287 -0.734) 0.869 42.963 ( 13.153 4.430 1.422) 13.952 43.100 ( -1.370 6.106 -0.219) 6.262 44.454 ( 18.671 11.473 -1.666) 21.978 44.982 ( -0.567 24.146 -10.760) 26.441 ======================= Grid point 509 (252/294) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.641 ( -3.306 23.950 -8.764) 25.717 3.702 ( 9.586 -0.517 1.442) 9.708 4.233 ( -1.273 14.652 0.255) 14.710 4.422 ( 5.803 17.934 14.254) 23.632 4.560 ( 2.904 1.632 2.300) 4.048 5.105 ( 11.080 -19.130 -14.524) 26.451 5.522 ( 0.337 2.378 -3.585) 4.315 6.577 ( 0.810 12.789 -9.668) 16.052 6.658 ( 12.085 -3.755 7.772) 14.851 6.772 ( -12.961 -1.585 8.059) 15.345 8.216 ( 14.345 1.565 2.915) 14.722 8.762 ( 1.818 9.738 -3.590) 10.537 9.027 ( -2.955 0.611 0.474) 3.055 9.471 ( 1.244 -6.934 1.136) 7.136 9.990 ( -6.798 -2.699 -1.859) 7.546 10.635 ( 1.076 -1.712 -3.450) 3.999 11.128 ( -19.356 -2.797 1.281) 19.599 11.294 ( 1.350 -13.841 9.191) 16.670 20.621 ( -2.039 -1.297 -0.200) 2.425 20.706 ( -2.133 -1.859 0.743) 2.926 20.783 ( -1.094 -1.366 -0.894) 1.965 20.958 ( 1.636 -1.568 -0.921) 2.446 24.872 ( -0.923 -1.480 0.561) 1.833 24.882 ( -0.927 -1.177 -0.186) 1.510 32.457 ( 1.121 0.936 0.391) 1.512 32.477 ( -0.588 0.486 -0.545) 0.937 43.046 ( -6.287 11.421 -0.380) 13.042 43.343 ( 19.251 -1.739 -0.112) 19.330 44.713 ( -0.950 12.889 -9.443) 16.006 45.227 ( 13.338 9.576 2.328) 16.583 ======================= Grid point 510 (253/294) ======================= q-point: ( 0.75 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.613 ( -15.256 18.507 -9.968) 25.973 3.752 ( -0.360 -0.902 3.617) 3.745 4.331 ( -8.714 13.451 5.965) 17.101 4.703 ( 8.948 5.268 -0.293) 10.387 4.839 ( 12.744 5.774 1.300) 14.052 5.058 ( 7.861 -11.575 -11.480) 18.099 5.550 ( 6.695 7.628 -6.761) 12.195 6.379 ( -16.608 -8.665 10.837) 21.641 6.722 ( 3.481 12.124 -3.881) 13.197 7.038 ( 17.301 -1.178 4.461) 17.905 8.379 ( -3.393 3.649 4.356) 6.618 8.804 ( 7.179 -0.329 -4.166) 8.307 8.925 ( -8.329 -5.003 -3.255) 10.247 9.409 ( -0.170 -9.040 6.940) 11.398 9.884 ( -4.036 0.935 -3.769) 5.601 10.647 ( 2.936 0.418 -3.103) 4.293 10.854 ( -12.412 1.937 1.725) 12.681 11.245 ( 3.021 -13.756 9.448) 16.959 20.567 ( -3.090 -0.094 -0.294) 3.105 20.664 ( -1.252 -0.037 0.174) 1.264 20.774 ( 1.585 -1.667 0.341) 2.325 20.965 ( 1.668 -1.953 -1.108) 2.797 24.847 ( -0.848 -0.573 -0.154) 1.035 24.864 ( -0.212 -0.598 0.101) 0.642 32.465 ( -0.821 0.498 -0.588) 1.126 32.497 ( 1.501 1.156 0.712) 2.024 43.050 ( -5.838 10.674 -0.312) 12.170 43.610 ( 13.664 -2.143 -3.319) 14.224 44.672 ( -9.926 11.226 -6.680) 16.407 45.581 ( 17.505 1.086 3.708) 17.926 ======================= Grid point 517 (254/294) ======================= q-point: ( 0.33 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -0.458 21.550 15.910) 26.791 3.061 ( -0.815 11.285 30.276) 32.321 3.762 ( -11.538 3.062 -15.781) 19.788 4.613 ( -0.913 -5.514 11.564) 12.844 4.809 ( 14.783 -1.826 2.479) 15.101 5.190 ( -13.493 10.512 -16.383) 23.684 5.671 ( -30.049 4.884 14.184) 33.585 6.054 ( -3.509 0.287 -12.942) 13.412 6.315 ( 3.658 11.809 -11.172) 16.662 7.099 ( 4.332 6.937 14.112) 16.311 7.840 ( -10.236 -5.042 -9.436) 14.807 8.534 ( -11.380 12.186 -14.188) 21.892 8.766 ( 0.985 1.128 3.950) 4.224 9.327 ( -7.839 2.791 5.076) 9.747 10.411 ( 6.896 -9.942 2.801) 12.420 10.641 ( 3.427 -1.731 0.967) 3.959 11.379 ( -2.622 -6.920 12.726) 14.721 11.952 ( 31.674 -8.974 -6.626) 33.581 20.732 ( 2.536 -1.997 -0.506) 3.267 20.851 ( 2.802 -1.498 -1.515) 3.520 20.864 ( 0.413 -3.850 0.415) 3.894 20.927 ( -0.564 -0.413 0.257) 0.745 24.946 ( 1.806 -2.217 1.064) 3.051 24.971 ( 3.020 -3.549 1.620) 4.933 32.446 ( 0.780 -0.680 -0.216) 1.057 32.485 ( 0.305 -0.125 -0.372) 0.497 42.917 ( 2.535 8.688 -8.209) 12.219 43.269 ( -25.458 -7.672 0.113) 26.589 43.898 ( -9.156 22.345 -1.201) 24.178 44.638 ( -13.793 25.988 -13.362) 32.314 ======================= Grid point 518 (255/294) ======================= q-point: ( 0.42 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -1.217 28.288 13.928) 31.555 3.461 ( -4.367 4.130 -0.246) 6.016 3.513 ( 13.775 10.303 12.597) 21.322 4.481 ( -10.276 -4.827 -2.599) 11.647 4.860 ( -3.544 -3.944 -6.539) 8.419 5.226 ( 8.469 2.324 -4.637) 9.932 5.356 ( -18.790 10.486 21.737) 30.586 5.886 ( -4.085 -4.774 -14.585) 15.881 6.476 ( 2.913 18.038 -7.295) 19.674 7.337 ( -4.029 11.220 16.972) 20.741 7.619 ( 3.823 -0.860 -8.721) 9.561 8.337 ( -14.895 7.264 -11.104) 19.948 8.886 ( 4.168 6.302 1.994) 7.814 9.290 ( -4.060 5.537 4.980) 8.482 10.396 ( 2.059 -9.238 2.165) 9.709 10.675 ( 2.201 -2.395 0.511) 3.293 11.292 ( -2.451 -14.299 11.734) 18.659 12.265 ( 18.929 -9.480 -13.881) 25.315 20.712 ( -1.507 -3.672 -0.292) 3.980 20.817 ( 0.534 -3.344 1.427) 3.675 20.866 ( 1.904 -2.577 -1.415) 3.502 20.955 ( 1.749 0.407 -0.077) 1.797 24.949 ( 0.898 -2.922 0.937) 3.197 24.978 ( 1.566 -4.580 1.329) 5.020 32.447 ( 0.242 -0.722 -0.231) 0.796 32.486 ( 0.307 -0.370 -0.369) 0.606 42.783 ( -18.133 0.659 -1.335) 18.194 43.120 ( 7.585 11.431 -1.881) 13.847 43.905 ( -12.486 13.755 3.032) 18.823 44.755 ( -0.822 35.038 -16.218) 38.618 ======================= Grid point 519 (256/294) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -5.078 2.084 -7.069) 8.950 3.531 ( 3.893 23.267 0.659) 23.599 4.094 ( 8.108 8.059 9.751) 15.026 4.268 ( 5.131 0.847 -1.295) 5.359 4.711 ( 1.660 -13.482 -4.862) 14.428 5.131 ( -25.372 20.285 21.210) 38.795 5.552 ( 9.209 0.060 -2.344) 9.503 5.730 ( 4.345 -4.478 -6.742) 9.186 6.653 ( -1.772 19.016 -5.404) 19.849 7.338 ( 1.636 0.323 -0.421) 1.720 7.937 ( 10.275 21.631 9.157) 25.638 8.059 ( -14.720 0.409 -5.803) 15.828 9.002 ( 3.429 2.990 -2.108) 5.014 9.342 ( -0.145 5.096 5.435) 7.452 10.330 ( -0.442 -8.314 0.352) 8.333 10.684 ( 0.647 -1.277 0.428) 1.494 11.156 ( 0.760 -19.114 9.373) 21.302 12.236 ( -1.116 -10.430 -16.737) 19.753 20.645 ( -0.980 -4.633 1.457) 4.954 20.815 ( 0.860 -1.610 -0.242) 1.841 20.850 ( 0.795 -3.682 -1.131) 3.933 20.974 ( -0.372 0.789 -0.175) 0.890 24.930 ( -0.048 -3.063 0.857) 3.181 24.952 ( 0.018 -3.987 0.786) 4.064 32.440 ( -0.214 -0.350 -0.079) 0.418 32.485 ( 0.262 -0.273 -0.625) 0.731 42.628 ( -2.444 3.513 2.017) 4.731 43.357 ( 0.096 12.145 6.961) 13.999 43.892 ( 1.277 12.269 -4.033) 12.978 45.028 ( 0.847 31.908 -14.738) 35.158 ======================= Grid point 520 (257/294) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 18.508 -4.134 -10.879) 21.863 3.856 ( 1.282 24.899 2.329) 25.041 4.032 ( 0.695 3.119 -13.445) 13.820 4.540 ( 0.156 -0.800 11.944) 11.972 4.684 ( 13.181 -11.340 -6.377) 18.520 5.034 ( -22.664 21.537 21.967) 38.211 5.548 ( -0.207 4.328 -3.390) 5.501 5.958 ( 17.669 -0.402 2.949) 17.918 6.726 ( -4.747 15.698 -7.892) 18.200 7.388 ( -5.841 1.789 5.279) 8.074 7.778 ( -2.539 -4.899 -7.331) 9.175 8.452 ( 12.676 23.776 9.949) 28.722 9.047 ( 2.343 -0.405 -3.647) 4.354 9.402 ( 0.492 -0.113 3.959) 3.991 10.212 ( -3.725 -7.337 -2.405) 8.573 10.660 ( -1.646 -1.547 -1.826) 2.904 11.075 ( 6.123 -18.523 9.908) 21.881 11.897 ( -15.511 -8.510 -13.976) 22.547 20.609 ( 0.837 -4.173 1.767) 4.609 20.793 ( -2.046 -0.166 -0.991) 2.279 20.819 ( 1.033 -4.540 -1.134) 4.792 20.960 ( -1.802 0.755 -0.075) 1.955 24.900 ( -0.564 -2.590 0.894) 2.797 24.915 ( -0.665 -2.574 0.056) 2.659 32.437 ( 0.030 0.330 0.209) 0.392 32.484 ( 0.178 0.081 -0.841) 0.864 42.756 ( 10.199 3.619 3.145) 11.270 43.386 ( -11.790 11.532 7.407) 18.079 44.191 ( 19.075 9.060 -2.938) 21.320 45.227 ( -3.172 25.402 -11.639) 28.121 ======================= Grid point 521 (258/294) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( 32.062 -8.551 -5.824) 33.690 4.035 ( -6.191 17.728 -2.842) 18.992 4.147 ( 12.228 12.064 -9.963) 19.858 4.593 ( -0.329 4.070 5.999) 7.257 4.650 ( 6.809 -13.715 -12.613) 19.838 4.996 ( -17.892 16.936 22.504) 33.367 5.614 ( -3.037 9.380 1.716) 10.007 6.307 ( 20.067 0.043 4.787) 20.630 6.753 ( -4.224 15.015 -8.614) 17.818 7.119 ( -21.405 -4.133 7.823) 23.161 7.883 ( 17.960 -4.321 -5.457) 19.261 8.874 ( 4.013 16.961 5.636) 18.318 9.038 ( 0.720 -2.324 -2.101) 3.215 9.388 ( -0.290 -5.855 2.011) 6.197 10.038 ( -5.498 -5.681 -5.413) 9.581 10.603 ( -0.757 -1.089 -2.756) 3.058 11.074 ( 6.586 -15.908 9.608) 19.717 11.463 ( -18.650 -4.311 -7.907) 20.711 20.603 ( 1.335 -2.931 1.574) 3.584 20.743 ( -2.982 -0.079 -0.461) 3.019 20.776 ( -0.450 -3.339 -1.448) 3.667 20.936 ( -0.997 -0.045 -0.286) 1.038 24.872 ( -0.564 -1.785 0.595) 1.964 24.883 ( -0.703 -1.278 -0.200) 1.472 32.452 ( 0.722 0.897 0.439) 1.232 32.484 ( -0.012 0.419 -0.759) 0.867 43.040 ( 16.049 2.597 2.554) 16.457 43.333 ( -10.958 12.107 5.047) 17.092 44.579 ( 17.812 3.303 -2.360) 18.268 45.321 ( -4.778 18.507 -5.670) 19.937 ======================= Grid point 522 (259/294) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.470 ( 22.892 -11.473 1.078) 25.629 3.988 ( -12.119 12.677 -9.183) 19.796 4.436 ( 5.622 2.909 -15.810) 17.030 4.551 ( 9.901 -5.909 -1.261) 11.599 4.789 ( 9.631 7.475 0.205) 12.193 5.019 ( -10.880 17.488 19.390) 28.288 5.613 ( -4.610 8.742 -0.435) 9.893 6.616 ( 0.393 -0.172 8.592) 8.602 6.772 ( -2.043 3.433 0.899) 4.095 6.865 ( -1.166 10.019 -2.522) 10.397 8.149 ( 20.318 -6.827 -1.767) 21.507 8.845 ( -8.928 -5.550 -0.656) 10.533 9.066 ( -6.900 7.121 -1.344) 10.006 9.314 ( 1.297 -10.072 3.073) 10.610 9.893 ( -1.810 -3.626 -6.607) 7.750 10.609 ( 1.927 2.427 -1.785) 3.576 11.054 ( -0.442 -11.010 6.152) 12.620 11.133 ( -9.759 -3.503 -0.926) 10.410 20.601 ( -0.451 -1.086 0.736) 1.387 20.691 ( -2.430 -0.085 0.269) 2.447 20.739 ( 0.380 -1.981 -0.779) 2.162 20.923 ( 0.334 -1.009 -0.711) 1.278 24.852 ( -0.423 -0.739 0.059) 0.854 24.863 ( -0.437 -0.698 0.013) 0.824 32.477 ( 0.207 1.192 -0.689) 1.393 32.488 ( 0.690 0.395 0.686) 1.050 43.298 ( -5.113 9.840 2.188) 11.303 43.356 ( 11.083 3.828 2.070) 11.907 44.787 ( 4.975 2.459 -5.485) 7.803 45.425 ( 3.259 8.644 1.484) 9.356 ======================= Grid point 530 (260/294) ======================= q-point: ( 0.33 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 1.384 20.075 3.800) 20.478 3.407 ( -8.969 12.417 21.795) 26.639 4.058 ( -21.203 5.542 -7.557) 23.181 4.395 ( 21.949 -3.002 6.149) 22.991 4.650 ( -1.685 -3.928 4.960) 6.548 5.584 ( -27.544 5.047 -14.126) 31.364 5.871 ( -0.486 -3.787 -13.337) 13.872 6.195 ( 0.605 9.117 -12.603) 15.566 6.416 ( -11.910 6.223 9.385) 16.391 7.212 ( 6.442 18.264 14.456) 24.167 7.828 ( -6.356 -18.774 -10.494) 22.427 8.790 ( -9.021 6.613 1.092) 11.238 8.842 ( -3.614 11.522 -2.334) 12.299 9.461 ( -4.009 -2.145 3.155) 5.534 10.118 ( 14.615 -10.618 3.232) 18.352 10.588 ( 0.740 -3.183 1.962) 3.811 11.337 ( 24.833 -3.955 -6.095) 25.875 11.427 ( -1.460 -7.971 13.507) 15.751 20.660 ( 3.391 -1.011 -1.067) 3.696 20.786 ( 4.183 -2.377 0.673) 4.858 20.791 ( 1.060 -1.827 -0.807) 2.261 20.960 ( -3.097 -1.513 -0.204) 3.453 24.899 ( 1.677 -1.769 1.057) 2.657 24.912 ( 1.689 -1.612 0.144) 2.339 32.436 ( -0.045 0.162 0.274) 0.321 32.481 ( 0.136 0.345 -0.691) 0.784 42.923 ( 1.842 8.948 -7.268) 11.674 43.601 ( -21.119 -7.461 -0.340) 22.401 44.207 ( -3.160 19.481 -7.567) 21.136 45.053 ( -16.659 14.500 -2.171) 22.192 ======================= Grid point 531 (261/294) ======================= q-point: ( 0.42 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 10.574 36.462 10.079) 39.279 3.571 ( -8.112 4.956 9.429) 13.389 3.664 ( -11.746 7.457 4.500) 14.623 4.565 ( -4.083 -6.863 5.965) 9.968 4.830 ( 24.026 -0.951 6.092) 24.805 5.008 ( -25.351 -3.367 -23.102) 34.463 5.728 ( -3.762 -5.812 -7.391) 10.127 6.092 ( -19.888 12.491 5.596) 24.143 6.515 ( 6.924 15.648 -6.122) 18.173 7.448 ( -4.726 -18.512 -12.099) 22.614 7.639 ( 6.223 23.342 16.854) 29.455 8.629 ( -15.333 8.181 -6.510) 18.558 8.931 ( 0.253 7.139 3.039) 7.763 9.414 ( -2.515 0.719 4.972) 5.619 10.208 ( 8.182 -11.375 -0.412) 14.018 10.598 ( 2.655 -3.140 1.875) 4.519 11.303 ( -6.680 -13.068 10.650) 18.134 11.709 ( 25.817 -6.739 -10.367) 28.625 20.682 ( 1.109 -2.085 -1.298) 2.695 20.786 ( 0.441 -3.597 -0.230) 3.631 20.803 ( 1.441 -2.549 0.472) 2.965 20.929 ( 1.147 0.121 0.551) 1.278 24.907 ( 1.152 -2.376 0.852) 2.775 24.921 ( 1.450 -2.455 0.261) 2.863 32.440 ( 0.094 0.214 0.089) 0.250 32.481 ( -0.063 0.176 -0.574) 0.604 43.070 ( 1.458 12.407 -5.456) 13.632 43.139 ( -16.371 -2.602 -1.861) 16.680 44.297 ( -10.831 14.031 6.241) 18.791 45.003 ( -4.161 22.402 -10.697) 25.172 ======================= Grid point 532 (262/294) ======================= q-point: ( 0.50 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -27.602 -1.585 -2.011) 27.721 3.709 ( 7.068 33.222 -0.808) 33.975 4.028 ( 17.321 8.065 19.249) 27.122 4.352 ( -15.557 -0.064 -6.246) 16.764 4.561 ( -4.657 -10.064 -10.120) 15.013 5.269 ( 22.296 0.347 7.005) 23.373 5.569 ( -3.724 -6.158 -3.442) 7.977 5.907 ( -21.543 16.334 8.911) 28.466 6.782 ( 4.790 17.430 -5.682) 18.948 7.192 ( 3.789 -11.933 -11.961) 17.315 8.094 ( 7.498 24.971 11.709) 28.581 8.363 ( -18.736 2.806 -0.209) 18.947 8.991 ( 0.141 1.820 0.673) 1.946 9.432 ( -1.379 2.691 5.767) 6.512 10.198 ( 4.504 -9.863 -3.467) 11.384 10.632 ( 3.248 -2.414 2.057) 4.540 11.073 ( -6.870 -16.027 6.473) 18.600 11.918 ( 14.373 -9.704 -15.138) 23.020 20.638 ( -1.826 -3.595 0.204) 4.037 20.755 ( 1.197 -4.313 0.662) 4.525 20.812 ( 1.165 -0.915 -1.079) 1.832 20.970 ( 1.751 0.771 0.452) 1.966 24.901 ( 0.508 -2.607 0.830) 2.783 24.914 ( 0.679 -2.558 0.037) 2.646 32.443 ( -0.137 0.434 0.105) 0.467 32.477 ( -0.044 -0.027 -0.699) 0.701 42.804 ( -12.634 1.919 0.062) 12.779 43.377 ( 11.283 12.835 2.933) 17.339 44.177 ( -16.764 9.268 4.425) 19.660 45.206 ( 3.599 25.551 -11.860) 28.398 ======================= Grid point 533 (263/294) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -10.709 -4.031 -3.086) 11.852 3.923 ( -1.992 10.087 -9.632) 14.089 4.181 ( -3.035 -1.420 -7.462) 8.180 4.373 ( 7.063 10.080 -1.644) 12.417 4.577 ( 6.497 4.799 13.628) 15.841 5.474 ( -1.736 -3.624 6.526) 7.664 5.663 ( 18.667 -1.498 6.848) 19.940 5.793 ( -17.209 21.965 8.472) 29.162 6.860 ( -1.363 5.992 -8.511) 10.497 7.290 ( 13.244 5.081 -9.093) 16.849 7.963 ( -20.908 -5.955 -0.325) 21.742 8.583 ( 8.151 24.958 12.575) 29.112 8.986 ( 0.499 -3.164 -0.945) 3.340 9.452 ( -2.290 1.474 4.068) 4.895 10.129 ( 1.316 -9.399 -6.294) 11.388 10.664 ( -0.168 -0.639 -0.084) 0.666 10.876 ( 0.627 -15.054 5.735) 16.122 11.853 ( -0.089 -10.297 -15.407) 18.531 20.581 ( -0.848 -3.190 1.465) 3.612 20.737 ( 1.759 -5.046 -0.493) 5.367 20.811 ( -0.408 0.490 -1.217) 1.374 20.993 ( -0.471 0.770 0.588) 1.077 24.884 ( -0.018 -2.444 0.768) 2.562 24.897 ( 0.015 -1.845 -0.189) 1.854 32.447 ( -0.259 0.821 0.289) 0.908 32.474 ( 0.294 -0.027 -0.888) 0.936 42.731 ( -0.465 3.853 3.069) 4.948 43.685 ( 1.816 8.227 14.668) 16.915 44.062 ( -2.067 9.610 -5.758) 11.392 45.437 ( 0.657 22.818 -9.776) 24.833 ======================= Grid point 534 (264/294) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 15.565 -3.416 0.220) 15.937 4.012 ( 3.776 -15.453 -15.620) 22.295 4.033 ( 7.884 11.895 -3.744) 14.754 4.613 ( -1.234 20.214 0.773) 20.267 4.677 ( -2.566 1.716 3.768) 4.871 5.452 ( -8.129 0.407 17.731) 19.510 5.799 ( -2.726 8.710 5.285) 10.546 6.042 ( 14.794 7.634 7.310) 18.182 6.880 ( 0.835 9.646 -10.003) 13.921 7.485 ( -10.793 3.265 3.961) 11.952 7.554 ( 0.894 -6.437 -7.867) 10.204 8.936 ( 1.629 -6.178 0.897) 6.452 8.991 ( 6.454 13.922 4.159) 15.899 9.423 ( -4.427 1.459 2.939) 5.510 9.988 ( -1.528 -10.069 -8.863) 13.500 10.605 ( -2.111 -1.160 -2.493) 3.467 10.866 ( 6.116 -10.057 6.713) 13.550 11.599 ( -9.361 -7.067 -11.422) 16.371 20.564 ( 0.850 -2.254 1.904) 3.070 20.711 ( 1.622 -4.714 -1.164) 5.120 20.792 ( -2.104 1.350 -1.219) 2.781 20.976 ( -2.360 0.365 0.651) 2.475 24.863 ( -0.207 -1.795 0.466) 1.866 24.879 ( -0.300 -1.040 -0.130) 1.090 32.456 ( 0.132 1.003 0.565) 1.159 32.478 ( 0.510 0.259 -0.974) 1.129 42.872 ( 9.177 3.940 4.149) 10.815 43.695 ( -12.862 8.305 11.914) 19.400 44.282 ( 16.629 3.254 -3.164) 17.237 45.569 ( -4.426 19.024 -6.630) 20.626 ======================= Grid point 536 (265/294) ======================= q-point: (-0.25 -0.42 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 26.177 -4.643 3.703) 26.843 3.869 ( 10.165 -18.980 -14.375) 25.889 4.356 ( 10.809 15.862 -7.305) 20.538 4.538 ( -12.490 4.604 -1.177) 13.364 4.813 ( 2.185 11.418 3.616) 12.174 5.423 ( -7.917 5.646 19.526) 21.813 5.798 ( -6.709 3.231 1.602) 7.617 6.411 ( 16.491 1.752 6.159) 17.691 6.965 ( 0.650 8.615 -5.512) 10.248 7.145 ( -19.746 8.794 2.945) 21.816 7.740 ( 15.765 -2.286 -4.229) 16.482 8.837 ( -2.091 -12.201 -2.071) 12.551 9.142 ( 3.109 -2.574 1.506) 4.308 9.370 ( -9.542 6.473 1.946) 11.693 9.806 ( -0.906 -10.107 -9.557) 13.940 10.596 ( 1.644 2.502 -1.829) 3.508 10.901 ( 4.771 -8.509 4.878) 10.907 11.314 ( -11.911 -2.639 -6.038) 13.612 20.578 ( 1.419 -1.432 1.972) 2.820 20.692 ( 1.685 -3.076 -1.322) 3.748 20.753 ( -3.439 1.763 -0.840) 3.955 20.935 ( -2.342 -0.310 0.357) 2.389 24.848 ( -0.067 -1.001 0.219) 1.027 24.865 ( -0.419 -0.480 -0.058) 0.640 32.476 ( 0.726 0.500 0.806) 1.194 32.486 ( 0.348 0.886 -0.934) 1.334 43.132 ( 13.127 3.158 3.386) 13.920 43.627 ( -10.762 9.569 7.540) 16.255 44.549 ( 14.974 -3.786 -1.409) 15.509 45.610 ( -6.993 14.962 -2.526) 16.707 ======================= Grid point 543 (266/294) ======================= q-point: ( 0.33 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 1.475 13.251 -7.402) 15.249 3.726 ( 6.583 1.797 17.803) 19.066 4.017 ( 2.517 6.737 0.783) 7.234 4.597 ( -22.310 8.373 2.567) 23.967 4.690 ( -3.795 -1.768 0.662) 4.239 5.733 ( -0.236 -5.177 -16.919) 17.695 5.945 ( -11.710 -2.784 -12.120) 17.081 6.164 ( 4.267 15.909 -8.154) 18.380 6.710 ( -8.227 7.294 11.188) 15.686 7.375 ( 3.484 14.651 10.977) 18.636 7.612 ( -3.369 -22.147 -8.486) 23.955 8.886 ( 3.443 -0.657 5.869) 6.836 9.058 ( -4.564 8.851 -3.335) 10.502 9.480 ( -4.527 -3.128 -2.962) 6.249 9.831 ( 10.724 -7.464 10.123) 16.528 10.567 ( 0.016 -2.042 2.162) 2.974 10.955 ( 13.212 -0.652 -4.161) 13.867 11.425 ( 0.185 -7.379 10.006) 12.434 20.592 ( 2.777 0.030 -1.549) 3.180 20.694 ( 4.447 -1.500 0.980) 4.794 20.781 ( -1.658 -1.219 0.310) 2.081 20.986 ( -2.102 -2.001 -0.686) 2.983 24.865 ( 1.211 -0.988 0.276) 1.587 24.878 ( 0.783 -0.773 -0.086) 1.104 32.454 ( -1.020 0.820 0.781) 1.524 32.477 ( 0.395 0.434 -0.785) 0.980 42.954 ( 1.284 9.236 -6.067) 11.125 43.833 ( -15.549 -8.432 -2.832) 17.913 44.308 ( 5.313 14.944 -8.922) 18.197 45.480 ( -18.225 7.767 4.609) 20.340 ======================= Grid point 544 (267/294) ======================= q-point: ( 0.42 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 20.763 27.039 1.424) 34.121 3.904 ( -6.463 12.372 17.762) 22.590 4.034 ( -17.096 3.303 -0.336) 17.415 4.477 ( 12.585 -0.053 8.794) 15.353 4.636 ( -4.385 2.290 0.129) 4.949 5.338 ( -24.850 -7.177 -20.131) 32.776 5.695 ( -6.492 -2.319 -8.063) 10.608 6.408 ( 5.915 18.747 -7.867) 21.174 6.617 ( -11.847 5.371 8.637) 15.614 7.255 ( -4.958 -22.919 -9.381) 25.256 7.758 ( 12.351 18.605 9.936) 24.442 8.916 ( -7.816 2.073 2.478) 8.457 9.024 ( -4.000 7.102 -2.610) 8.559 9.411 ( 2.657 -3.947 -0.082) 4.759 9.953 ( 7.903 -9.214 5.150) 13.186 10.565 ( 0.175 -0.749 2.063) 2.201 11.206 ( 20.122 -3.047 -6.847) 21.473 11.331 ( -4.989 -12.734 8.345) 16.021 20.630 ( 2.395 -0.581 -1.758) 3.027 20.742 ( -0.140 -2.365 -0.335) 2.393 20.753 ( 2.705 -2.017 1.410) 3.657 20.931 ( -1.262 -1.199 0.368) 1.779 24.873 ( 0.974 -1.488 0.426) 1.828 24.882 ( 0.865 -1.156 -0.192) 1.456 32.452 ( -0.612 0.917 0.462) 1.195 32.483 ( 0.028 0.490 -0.596) 0.772 43.091 ( 4.753 13.280 -3.967) 14.652 43.424 ( -19.189 -4.811 -5.756) 20.603 44.540 ( 2.535 14.295 2.315) 14.701 45.281 ( -13.421 9.425 -0.752) 16.417 ======================= Grid point 545 (268/294) ======================= q-point: ( 0.50 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.516 ( -32.433 -2.201 6.746) 33.200 3.715 ( 23.307 19.343 0.229) 30.289 4.141 ( -4.515 19.532 11.309) 23.017 4.527 ( -5.745 1.204 3.190) 6.681 4.701 ( -22.973 0.156 -18.233) 29.330 4.922 ( 20.683 0.305 8.907) 22.521 5.536 ( -3.522 -4.389 -5.124) 7.611 6.434 ( -15.747 12.506 8.295) 21.752 6.773 ( 12.327 14.983 -6.711) 20.530 6.920 ( -1.789 -20.055 -10.548) 22.730 8.204 ( 10.664 18.429 5.016) 21.875 8.708 ( -15.844 1.684 2.255) 16.092 9.019 ( -1.259 -1.239 1.407) 2.258 9.463 ( 3.427 0.006 2.299) 4.127 9.984 ( 5.183 -8.812 -0.994) 10.271 10.585 ( 1.533 -0.164 2.742) 3.146 11.097 ( -8.813 -14.273 3.653) 17.168 11.465 ( 18.746 -6.411 -10.735) 22.533 20.623 ( -0.435 -2.702 -0.540) 2.789 20.713 ( -0.188 -3.329 -0.100) 3.335 20.775 ( 1.799 -0.670 0.116) 1.923 20.943 ( 2.084 0.497 0.949) 2.344 24.872 ( 0.559 -1.819 0.489) 1.965 24.883 ( 0.682 -1.265 -0.243) 1.458 32.455 ( -0.356 0.735 0.536) 0.977 32.481 ( -0.399 0.571 -0.827) 1.082 43.061 ( -16.095 -0.677 -2.127) 16.249 43.338 ( 8.884 13.917 0.154) 16.511 44.570 ( -14.028 5.257 8.342) 17.147 45.306 ( 3.077 17.922 -7.402) 19.633 ======================= Grid point 546 (269/294) ======================= q-point: ( 0.58 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( -32.813 0.846 10.796) 34.553 3.958 ( 3.285 -11.272 -15.216) 19.219 4.096 ( -11.539 5.992 -7.107) 14.818 4.572 ( 0.222 13.812 8.342) 16.137 4.630 ( 3.044 20.547 4.839) 21.327 5.326 ( 17.815 -2.966 5.740) 18.950 5.483 ( 3.059 -0.411 7.644) 8.244 6.312 ( -16.980 9.805 8.186) 21.248 6.737 ( 6.413 -9.571 -12.802) 17.222 7.110 ( 12.375 14.140 -6.473) 19.874 8.236 ( -16.245 -3.759 -3.786) 17.099 8.739 ( 5.690 15.030 10.213) 19.042 8.968 ( -1.778 -3.575 1.162) 4.158 9.518 ( 0.344 1.868 1.801) 2.618 9.942 ( 2.589 -10.255 -5.742) 12.035 10.646 ( 2.718 0.931 3.529) 4.551 10.827 ( -7.136 -11.287 0.201) 13.355 11.583 ( 10.367 -8.162 -13.000) 18.523 20.576 ( -1.072 -2.837 0.159) 3.037 20.675 ( -0.142 -3.661 0.461) 3.693 20.803 ( 1.363 0.783 -0.887) 1.805 20.992 ( 1.704 0.627 1.025) 2.085 24.863 ( 0.203 -1.814 0.415) 1.872 24.878 ( 0.322 -1.039 -0.163) 1.100 32.458 ( -0.074 -0.019 0.571) 0.576 32.476 ( -0.548 1.296 -0.966) 1.707 42.854 ( -8.157 1.948 1.725) 8.562 43.659 ( 11.723 9.913 6.033) 16.495 44.353 ( -17.346 3.053 5.165) 18.354 45.551 ( 5.310 19.509 -6.991) 21.393 ======================= Grid point 548 (270/294) ======================= q-point: (-0.33 -0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -16.195 5.831 13.426) 21.830 3.704 ( -1.046 -19.633 -16.584) 25.721 4.067 ( 1.435 12.337 -1.755) 12.543 4.727 ( 0.798 6.534 0.967) 6.653 4.880 ( -1.688 18.002 3.886) 18.494 5.512 ( 7.025 -1.612 10.618) 12.833 5.717 ( 11.032 -2.932 13.277) 17.509 6.166 ( -7.705 2.135 3.313) 8.654 6.793 ( 7.933 4.546 -9.944) 13.509 7.380 ( 8.391 9.680 -7.157) 14.674 7.851 ( -19.439 -2.486 -0.882) 19.618 8.844 ( -0.119 -10.047 2.795) 10.429 9.036 ( 2.509 7.424 0.367) 7.845 9.555 ( -1.094 7.051 2.108) 7.440 9.811 ( 0.697 -12.887 -8.397) 15.397 10.624 ( -3.743 -2.551 -2.629) 5.238 10.751 ( 3.613 -2.798 5.006) 6.778 11.542 ( 1.039 -5.331 -11.513) 12.730 20.546 ( 0.219 -1.772 0.641) 1.897 20.642 ( 0.356 -3.491 0.037) 3.509 20.823 ( -0.102 1.853 -1.129) 2.172 21.012 ( -0.727 0.144 1.148) 1.366 24.850 ( 0.010 -1.492 0.309) 1.524 24.872 ( 0.022 -0.634 -0.064) 0.637 32.459 ( 0.431 -0.506 0.188) 0.691 32.479 ( -0.414 1.840 -0.557) 1.967 42.838 ( 1.539 2.803 4.253) 5.321 43.963 ( 6.107 2.144 17.244) 18.419 44.146 ( -7.898 4.655 -5.334) 10.607 45.759 ( 0.368 17.877 -5.556) 18.724 ======================= Grid point 549 (271/294) ======================= q-point: (-0.25 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 5.628 8.747 15.067) 18.309 3.427 ( 4.936 -22.914 -15.740) 28.234 4.315 ( 8.681 15.399 -1.151) 17.715 4.733 ( -4.818 1.646 -0.620) 5.129 4.983 ( -4.601 12.011 2.285) 13.064 5.626 ( -1.500 1.589 14.831) 14.991 5.837 ( 1.899 -8.120 9.719) 12.806 6.201 ( 10.827 -2.581 -0.066) 11.130 6.926 ( 4.948 3.235 -4.243) 7.277 7.444 ( -4.706 3.831 -6.960) 9.234 7.684 ( -3.606 16.126 -0.197) 16.526 8.719 ( -1.906 -13.054 -1.576) 13.286 9.033 ( 2.409 -10.072 -1.015) 10.406 9.603 ( -3.016 -0.908 -6.795) 7.489 9.658 ( -3.222 -0.660 -0.263) 3.299 10.581 ( 1.007 1.656 -2.449) 3.123 10.797 ( 2.789 -3.652 2.683) 5.321 11.418 ( -6.055 -0.042 -7.561) 9.687 20.557 ( 1.545 -0.284 1.228) 1.994 20.621 ( 1.285 -2.796 -0.639) 3.143 20.821 ( -2.073 2.551 -1.108) 3.469 20.984 ( -2.801 -0.483 1.182) 3.078 24.838 ( 0.061 -1.073 0.222) 1.098 24.866 ( -0.189 -0.210 -0.021) 0.283 32.466 ( 0.755 -0.602 0.283) 1.006 32.492 ( 0.018 1.858 -0.503) 1.925 42.989 ( 9.178 2.704 4.948) 10.772 43.932 ( -11.493 3.449 8.610) 14.769 44.268 ( 12.557 -3.138 1.945) 13.088 45.859 ( -5.060 15.651 -3.680) 16.855 ======================= Grid point 641 (272/294) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -0.000 0.000 33.121) 33.121 2.287 ( -0.000 0.000 33.121) 33.121 3.740 ( -0.000 0.000 53.307) 53.307 4.078 ( 0.000 -0.000 -18.160) 18.160 4.078 ( 0.000 -0.000 -18.160) 18.160 5.274 ( -0.000 0.000 2.322) 2.322 5.274 ( -0.000 0.000 2.322) 2.322 5.940 ( -0.000 0.000 5.225) 5.225 6.333 ( 0.000 -0.000 -16.094) 16.094 7.542 ( 0.000 -0.000 -1.317) 1.317 7.542 ( 0.000 -0.000 -1.317) 1.317 7.913 ( 0.000 -0.000 -28.527) 28.527 8.838 ( 0.000 -0.000 -2.402) 2.402 8.838 ( 0.000 -0.000 -2.402) 2.402 10.662 ( -0.000 0.000 2.202) 2.202 10.662 ( -0.000 0.000 2.202) 2.202 11.400 ( -0.000 0.000 14.821) 14.821 13.002 ( 0.000 -0.000 -6.985) 6.985 20.870 ( 0.000 -0.000 -0.097) 0.097 20.870 ( 0.000 0.000 -0.097) 0.097 20.974 ( -0.000 0.000 0.174) 0.174 20.974 ( -0.000 0.000 0.174) 0.174 25.033 ( -0.000 0.000 3.018) 3.018 25.284 ( 0.000 -0.000 -2.707) 2.707 32.518 ( -0.000 0.000 0.002) 0.002 32.530 ( -0.000 0.000 0.018) 0.018 42.634 ( 0.000 0.000 0.273) 0.273 42.634 ( 0.000 0.000 0.273) 0.273 43.267 ( 0.000 0.000 -0.272) 0.272 43.267 ( -0.000 0.000 -0.272) 0.272 ======================= Grid point 642 (273/294) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -10.419 1.301 31.089) 32.815 2.805 ( 8.354 5.196 32.155) 33.627 3.695 ( -6.729 -5.810 -18.157) 20.216 4.237 ( 22.713 2.370 33.081) 40.197 4.391 ( 17.507 14.912 -10.356) 25.221 5.164 ( -3.175 -9.994 2.932) 10.888 5.336 ( -4.445 11.305 5.481) 13.327 5.955 ( 2.105 -4.268 0.737) 4.815 6.232 ( -0.852 0.461 -17.862) 17.888 7.370 ( -14.406 4.680 -1.874) 15.262 7.567 ( 9.123 -7.299 -2.144) 11.878 7.984 ( 13.669 5.403 -21.352) 25.922 8.831 ( -1.808 6.317 -1.660) 6.777 8.968 ( 11.383 3.535 -0.939) 11.956 10.650 ( -1.894 1.200 2.731) 3.534 10.673 ( 0.198 -3.204 1.672) 3.620 11.471 ( -0.813 0.352 12.137) 12.170 12.766 ( -17.331 -10.672 -5.956) 21.207 20.842 ( -2.366 0.295 0.449) 2.426 20.869 ( 0.525 -2.339 -0.583) 2.467 20.951 ( -1.708 0.276 0.390) 1.774 20.973 ( -0.945 -0.657 -0.471) 1.244 25.029 ( -1.622 -0.944 2.516) 3.139 25.190 ( -5.985 -3.451 -0.656) 6.940 32.497 ( -1.511 -0.889 0.016) 1.753 32.518 ( -1.020 -0.545 0.025) 1.157 42.731 ( 8.531 -4.098 -3.842) 10.215 42.880 ( 19.022 15.614 -8.152) 25.924 43.222 ( -0.100 5.967 4.559) 7.510 43.604 ( 22.833 11.423 -2.535) 25.657 ======================= Grid point 643 (274/294) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -3.909 12.127 22.102) 25.511 3.078 ( 4.684 1.367 27.334) 27.766 3.583 ( 6.108 3.028 -12.554) 14.286 4.627 ( 13.501 -7.067 -1.213) 15.287 4.786 ( 5.833 4.610 7.041) 10.240 5.009 ( -1.845 -0.769 -1.919) 2.771 5.645 ( 17.436 21.305 16.885) 32.296 5.919 ( 3.279 -7.900 -7.642) 11.470 6.139 ( -0.680 2.499 -19.158) 19.332 7.194 ( -10.240 0.767 5.541) 11.669 7.725 ( 13.525 -0.376 -0.431) 13.538 8.182 ( 15.884 5.385 -19.435) 25.671 8.855 ( -2.745 6.723 -0.422) 7.274 9.244 ( 11.895 7.381 1.059) 14.039 10.573 ( -7.430 -5.782 1.106) 9.479 10.658 ( -0.450 -0.278 2.166) 2.230 11.513 ( -1.486 0.689 10.070) 10.203 12.187 ( -27.691 -17.969 -1.699) 33.054 20.782 ( -3.961 -1.107 -0.212) 4.118 20.845 ( -0.194 -3.113 -0.310) 3.134 20.921 ( -2.906 -1.536 -0.665) 3.354 20.945 ( -0.266 1.884 0.102) 1.905 24.989 ( -2.560 -1.508 1.302) 3.244 25.052 ( -5.538 -3.191 1.082) 6.483 32.461 ( -1.365 -0.831 -0.174) 1.608 32.493 ( -0.965 -0.476 -0.001) 1.076 42.764 ( 2.454 -0.067 -7.312) 7.713 43.306 ( 27.365 -12.369 -1.542) 30.070 43.479 ( 5.365 34.555 -5.108) 35.340 44.168 ( 27.357 13.737 -3.229) 30.782 ======================= Grid point 644 (275/294) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -1.847 15.390 8.882) 17.865 3.357 ( 9.085 5.259 21.879) 24.267 3.831 ( 18.513 11.099 -5.089) 22.177 4.505 ( -12.758 -15.705 1.512) 20.290 4.703 ( 0.069 -5.884 3.292) 6.742 5.341 ( 19.196 15.963 -6.198) 25.724 5.819 ( 1.806 -6.302 -13.158) 14.701 6.041 ( -1.981 2.772 -19.400) 19.697 6.318 ( 21.250 15.937 14.497) 30.261 7.079 ( -3.397 -8.021 10.806) 13.880 7.958 ( 7.240 6.631 -1.125) 9.882 8.449 ( 18.378 7.193 -16.426) 25.677 8.870 ( -2.269 4.580 4.035) 6.512 9.471 ( 5.419 5.315 -0.155) 7.592 10.309 ( -13.352 -9.898 1.770) 16.715 10.656 ( -1.559 1.225 1.758) 2.650 11.416 ( -16.265 -10.918 -6.727) 20.713 11.656 ( -10.662 -7.114 18.093) 22.173 20.691 ( -4.034 -2.073 -1.019) 4.648 20.805 ( -1.292 -1.932 0.704) 2.428 20.837 ( -3.727 -2.227 -0.800) 4.415 20.975 ( 0.991 1.958 -0.405) 2.231 24.934 ( -2.339 -1.400 0.544) 2.780 24.953 ( -3.553 -2.046 0.781) 4.174 32.439 ( -0.397 -0.159 0.003) 0.427 32.478 ( -0.400 -0.295 -0.186) 0.530 42.771 ( 2.552 0.971 -6.951) 7.467 43.619 ( 21.770 -10.704 5.078) 24.785 43.856 ( 5.241 28.396 -16.177) 33.098 44.756 ( 25.236 12.746 2.664) 28.397 ======================= Grid point 645 (276/294) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -2.938 15.922 -2.828) 16.436 3.701 ( 10.114 7.395 16.892) 21.032 4.089 ( -14.278 -8.466 2.880) 16.847 4.360 ( 23.016 9.716 1.608) 25.035 4.698 ( 2.900 -1.302 -1.488) 3.510 5.616 ( 4.556 -5.455 -13.615) 15.359 5.808 ( 11.639 -10.531 -9.807) 18.508 5.987 ( 0.964 20.445 -14.549) 25.112 6.701 ( 2.181 2.975 11.404) 11.986 7.123 ( 13.693 -7.837 11.605) 19.586 7.991 ( -12.457 11.040 -3.853) 17.085 8.769 ( 19.244 4.738 -10.672) 22.509 8.926 ( 0.029 1.399 6.292) 6.446 9.521 ( -1.415 2.283 -3.558) 4.459 10.016 ( -11.242 -7.925 7.595) 15.712 10.648 ( -2.467 2.286 1.648) 3.746 10.967 ( -12.484 -11.193 -5.428) 17.624 11.603 ( -5.484 -3.841 15.526) 16.908 20.603 ( -3.050 -1.665 -1.147) 3.659 20.730 ( -3.866 -3.312 0.337) 5.102 20.798 ( -0.110 0.439 0.407) 0.609 21.003 ( 0.680 1.195 -0.787) 1.584 24.889 ( -2.094 -1.237 0.402) 2.466 24.894 ( -1.453 -0.856 -0.140) 1.692 32.446 ( 0.776 0.728 0.405) 1.138 32.469 ( -0.158 -0.398 -0.272) 0.507 42.800 ( 3.298 1.038 -5.608) 6.589 43.882 ( 18.353 -11.228 0.627) 21.524 44.040 ( -2.682 22.016 -13.787) 26.115 45.307 ( 21.059 11.133 6.813) 24.775 ======================= Grid point 654 (277/294) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 5.111 -5.197 29.989) 30.862 3.082 ( -1.568 22.200 23.776) 32.567 3.596 ( 1.910 -7.746 -17.065) 18.838 4.208 ( -3.516 13.027 -12.588) 18.453 4.404 ( -3.200 11.164 34.211) 36.129 5.166 ( -4.141 -9.076 5.960) 11.621 5.402 ( 9.579 6.641 -0.401) 11.662 5.959 ( -4.609 -2.322 2.215) 5.616 6.139 ( 0.843 1.847 -19.384) 19.490 7.328 ( 6.494 -8.804 3.167) 11.389 7.597 ( -4.419 3.148 -4.951) 7.345 7.840 ( -3.419 11.520 -18.272) 21.869 8.836 ( 5.973 2.970 -0.706) 6.708 8.949 ( -3.044 10.431 -1.048) 10.917 10.632 ( 0.104 -4.676 3.187) 5.660 10.696 ( -0.791 0.370 1.120) 1.420 11.535 ( 0.583 -0.930 10.279) 10.337 12.788 ( -0.464 -12.415 -7.679) 14.605 20.821 ( 0.356 -3.602 0.683) 3.684 20.878 ( -0.939 -0.442 -0.259) 1.070 20.952 ( 0.839 -1.319 0.057) 1.564 20.977 ( -0.140 -0.573 -0.401) 0.713 25.042 ( -0.007 -2.162 2.381) 3.216 25.186 ( 0.005 -6.135 -0.963) 6.210 32.497 ( -0.015 -1.811 0.031) 1.811 32.519 ( 0.035 -1.021 -0.011) 1.022 42.570 ( -3.348 -1.874 2.065) 4.357 42.856 ( 1.735 11.717 -5.566) 13.087 43.423 ( 4.601 10.716 -2.317) 11.890 43.533 ( -3.077 32.689 -1.304) 32.859 ======================= Grid point 655 (278/294) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 3.560 11.258 23.788) 26.557 3.099 ( -4.114 1.267 -11.683) 12.451 3.706 ( -4.113 19.079 19.185) 27.368 4.278 ( 10.580 0.069 -17.441) 20.399 4.720 ( 10.816 0.812 20.811) 23.468 5.042 ( -2.745 -5.985 5.140) 8.353 5.661 ( 11.415 9.441 -0.287) 14.817 5.818 ( -5.287 -4.569 3.104) 7.646 6.108 ( -0.344 9.710 -18.436) 20.839 7.394 ( -1.461 -4.135 4.612) 6.364 7.550 ( 0.857 8.178 3.206) 8.826 7.908 ( 11.256 7.310 -16.741) 21.456 8.927 ( 1.021 5.021 -4.225) 6.641 9.136 ( 9.324 11.419 1.488) 14.817 10.575 ( -2.106 -8.397 3.102) 9.196 10.688 ( -0.979 0.362 0.847) 1.345 11.570 ( 0.231 -2.760 8.653) 9.085 12.422 ( -19.080 -16.580 -6.450) 26.087 20.793 ( 0.228 -4.408 0.119) 4.415 20.839 ( -2.174 -1.132 0.740) 2.560 20.943 ( -2.114 -1.183 -1.156) 2.684 20.953 ( 0.469 -0.621 -0.135) 0.790 25.012 ( -1.574 -2.810 1.350) 3.492 25.090 ( -3.198 -5.522 0.369) 6.392 32.469 ( -0.900 -1.632 -0.038) 1.864 32.502 ( -0.657 -0.845 -0.082) 1.073 42.671 ( 10.836 -0.020 1.099) 10.892 42.939 ( 1.503 6.064 -3.342) 7.085 43.659 ( 10.648 20.534 -3.435) 23.384 43.979 ( 12.001 31.613 -4.816) 34.155 ======================= Grid point 656 (279/294) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -9.015 27.392 11.307) 30.975 3.176 ( 21.409 1.474 -7.613) 22.770 3.903 ( -6.882 19.282 23.449) 31.129 4.325 ( 10.430 -10.699 -18.187) 23.538 4.707 ( -7.763 -9.270 6.208) 13.592 5.217 ( 13.497 4.115 5.720) 15.225 5.613 ( -0.721 -11.119 -7.540) 13.454 6.095 ( -2.410 14.824 -21.068) 25.873 6.156 ( 19.257 12.405 12.871) 26.275 7.236 ( -13.060 -3.075 8.022) 15.632 7.806 ( 14.500 6.068 2.881) 15.980 8.181 ( 15.559 12.256 -10.882) 22.599 8.960 ( -0.769 5.179 -2.980) 6.024 9.396 ( 8.373 6.537 -0.798) 10.653 10.399 ( -8.356 -10.983 2.024) 13.948 10.679 ( -0.492 -0.430 0.070) 0.658 11.563 ( -5.409 -2.372 1.364) 6.062 11.844 ( -20.117 -18.831 5.725) 28.144 20.728 ( -2.799 -2.872 -1.089) 4.155 20.806 ( -0.804 -2.370 2.113) 3.275 20.869 ( -3.442 -1.814 -1.676) 4.237 20.962 ( 1.154 -0.227 -0.478) 1.270 24.956 ( -2.003 -2.416 0.465) 3.172 24.989 ( -3.230 -3.740 0.623) 4.981 32.443 ( -0.490 -0.637 -0.001) 0.804 32.484 ( -0.631 -0.368 -0.156) 0.747 42.797 ( -1.677 8.833 -2.773) 9.409 43.115 ( 19.849 -5.491 -0.221) 20.596 44.049 ( 6.065 27.121 -7.078) 28.678 44.497 ( 20.398 19.401 0.403) 28.154 ======================= Grid point 657 (280/294) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( -13.286 30.648 -0.667) 33.410 3.668 ( 23.307 10.089 6.459) 26.205 4.147 ( 5.631 15.252 12.828) 20.710 4.207 ( -3.493 -10.739 -4.460) 12.141 4.574 ( 0.790 -3.837 -4.558) 6.010 5.415 ( 11.631 -16.864 -10.919) 23.214 5.500 ( 0.400 -0.146 1.234) 1.306 6.126 ( -1.004 22.061 -15.947) 27.240 6.669 ( 19.254 6.435 8.447) 21.988 7.003 ( -10.229 -10.792 11.439) 18.760 8.133 ( 10.540 7.513 4.141) 13.589 8.488 ( 11.018 12.777 -13.161) 21.398 8.982 ( -0.706 3.310 1.318) 3.632 9.514 ( 2.121 1.376 -3.925) 4.669 10.137 ( -9.625 -9.813 3.993) 14.314 10.661 ( 0.261 -1.772 -1.557) 2.373 11.171 ( -22.038 -4.632 -5.616) 23.210 11.660 ( -0.464 -13.662 16.984) 21.802 20.645 ( -3.594 -1.320 -0.674) 3.888 20.761 ( -3.039 -3.168 0.378) 4.406 20.802 ( -0.838 -0.865 -0.111) 1.209 20.979 ( 1.660 -0.736 -0.768) 1.972 24.908 ( -1.461 -1.507 0.139) 2.103 24.913 ( -2.338 -2.223 0.083) 3.227 32.443 ( 0.516 0.519 0.153) 0.748 32.471 ( -0.453 -0.093 -0.036) 0.464 42.825 ( -3.087 9.309 -2.646) 10.159 43.421 ( 21.292 -6.605 -1.861) 22.371 44.281 ( -3.057 23.574 -9.465) 25.587 45.058 ( 23.322 10.788 7.017) 26.637 ======================= Grid point 667 (281/294) ======================= q-point: ( 0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 4.943 5.669 26.343) 27.396 3.332 ( -0.247 9.447 1.909) 9.641 3.438 ( 4.072 1.945 6.336) 7.779 4.421 ( -19.119 8.352 -17.197) 27.037 4.843 ( -0.842 6.412 15.650) 16.934 5.193 ( 3.310 -2.512 -3.715) 5.574 5.335 ( -11.492 3.313 20.934) 24.110 5.923 ( 1.027 -5.302 -12.090) 13.241 6.114 ( 0.803 11.689 -12.509) 17.139 7.262 ( 2.556 2.002 13.258) 13.650 7.627 ( -5.972 -1.384 -8.143) 10.193 8.026 ( -9.797 14.316 -17.068) 24.337 8.810 ( 1.063 2.138 2.883) 3.743 9.149 ( -7.869 9.800 0.877) 12.599 10.587 ( 1.258 -7.080 2.732) 7.693 10.699 ( 1.305 -0.131 -0.106) 1.316 11.546 ( 0.393 -4.159 9.725) 10.585 12.445 ( 18.101 -15.026 -7.557) 24.709 20.784 ( 0.689 -3.465 0.292) 3.545 20.876 ( 0.105 -0.710 -0.738) 1.029 20.908 ( 1.343 -2.906 0.496) 3.240 20.956 ( 1.603 -0.523 -0.190) 1.697 25.012 ( 1.559 -2.781 1.335) 3.456 25.090 ( 3.200 -5.529 0.368) 6.399 32.470 ( 0.891 -1.538 -0.099) 1.780 32.500 ( 0.676 -0.972 0.017) 1.184 42.751 ( -9.637 2.591 -3.703) 10.644 42.932 ( -7.516 4.749 -3.052) 9.400 43.572 ( -3.871 21.185 1.825) 21.613 43.998 ( -14.064 29.851 -5.770) 33.499 ======================= Grid point 668 (282/294) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 1.883 3.772 12.302) 13.004 3.183 ( -2.533 7.725 -13.560) 15.811 3.930 ( 10.171 16.094 17.618) 25.939 4.179 ( -0.991 5.477 -15.322) 16.302 4.901 ( -11.702 8.198 17.413) 22.524 4.993 ( -3.968 -11.578 3.986) 12.871 5.541 ( 7.563 3.574 5.946) 10.263 5.811 ( 1.599 -6.860 -5.853) 9.158 6.203 ( -1.403 19.438 -12.018) 22.896 7.359 ( -0.546 -0.457 5.901) 5.944 7.644 ( 8.445 10.363 2.287) 13.563 7.902 ( -10.036 9.962 -10.297) 17.493 8.901 ( 3.011 4.382 -2.216) 5.760 9.198 ( -0.116 11.830 3.105) 12.232 10.531 ( -0.443 -9.090 3.297) 9.679 10.701 ( -0.243 -0.411 -0.139) 0.497 11.531 ( 1.124 -10.211 8.384) 13.260 12.387 ( -0.930 -15.470 -13.171) 20.339 20.748 ( -0.147 -4.666 1.336) 4.856 20.851 ( -0.729 -1.893 0.026) 2.029 20.914 ( 1.727 -2.702 -0.483) 3.243 20.960 ( -0.694 0.082 -0.606) 0.925 24.999 ( -0.017 -3.498 0.823) 3.594 25.059 ( 0.009 -5.914 0.409) 5.928 32.459 ( -0.071 -1.632 -0.057) 1.635 32.496 ( 0.098 -0.986 -0.165) 1.004 42.594 ( -2.397 1.204 3.344) 4.287 43.100 ( 1.549 15.770 2.783) 16.089 43.617 ( 0.026 12.436 -4.803) 13.331 44.243 ( 0.701 38.418 -7.879) 39.224 ======================= Grid point 669 (283/294) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 16.608 -2.848 -9.648) 19.417 3.319 ( -4.591 26.881 6.239) 27.975 3.958 ( 6.177 -3.796 -24.343) 25.400 4.468 ( -6.296 23.092 24.671) 34.374 4.808 ( -10.911 -0.546 6.433) 12.678 4.936 ( 10.993 -13.084 0.207) 17.090 5.573 ( -1.522 -4.321 3.765) 5.930 5.946 ( 13.787 3.905 2.210) 14.499 6.298 ( -4.247 21.291 -10.695) 24.201 7.406 ( 1.926 -0.987 4.306) 4.819 7.730 ( -5.910 5.879 -6.749) 10.726 8.072 ( 13.202 18.386 8.043) 24.022 8.961 ( 2.222 4.052 -6.288) 7.804 9.359 ( 3.778 7.455 2.510) 8.726 10.409 ( -4.113 -11.138 2.341) 12.102 10.680 ( -1.072 -1.168 -1.025) 1.888 11.499 ( 4.650 -14.227 9.048) 17.490 12.006 ( -16.441 -13.484 -12.807) 24.822 20.707 ( 0.063 -4.581 1.049) 4.701 20.814 ( -1.414 -1.918 0.530) 2.441 20.892 ( -0.975 -3.028 -1.031) 3.344 20.942 ( -0.621 0.429 -0.666) 1.007 24.958 ( -1.046 -3.050 0.326) 3.241 24.991 ( -1.619 -4.685 0.322) 4.967 32.442 ( -0.255 -0.825 0.027) 0.864 32.486 ( -0.213 -0.529 -0.299) 0.643 42.721 ( 11.339 1.813 4.093) 12.191 43.153 ( -12.116 14.243 3.854) 19.092 43.947 ( 21.209 13.791 -3.406) 25.527 44.585 ( 1.918 32.339 -7.340) 33.217 ======================= Grid point 670 (284/294) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( 35.700 1.909 -7.728) 36.576 3.502 ( -11.526 29.571 3.272) 31.906 3.960 ( 10.567 -1.547 -19.007) 21.801 4.599 ( -9.495 8.809 20.111) 23.921 4.640 ( -14.133 11.500 4.488) 18.766 4.973 ( 11.507 -17.702 -9.666) 23.221 5.564 ( -2.348 0.076 9.621) 9.904 6.234 ( 8.206 13.384 -9.227) 18.210 6.440 ( 8.941 9.506 2.285) 13.249 7.264 ( -17.983 -4.645 10.948) 21.560 7.861 ( 18.956 2.769 -10.040) 21.628 8.513 ( 7.669 20.382 6.237) 22.652 9.000 ( 1.626 3.149 -4.854) 6.011 9.461 ( 2.462 0.688 -0.938) 2.723 10.196 ( -7.643 -11.130 0.903) 13.532 10.631 ( -1.080 -2.751 -2.234) 3.705 11.463 ( -10.429 -4.340 -5.486) 12.558 11.534 ( -4.582 -19.786 7.840) 21.770 20.668 ( -0.910 -2.742 0.566) 2.944 20.772 ( -1.530 -2.563 1.124) 3.190 20.822 ( -2.832 -1.743 -1.433) 3.621 20.939 ( 0.788 -0.802 -0.745) 1.349 24.913 ( -1.142 -2.000 0.092) 2.305 24.923 ( -1.754 -3.002 -0.032) 3.477 32.440 ( 0.360 0.264 0.106) 0.459 32.478 ( -0.237 0.002 -0.137) 0.274 43.000 ( 10.842 5.972 3.388) 12.833 43.111 ( -4.297 8.228 1.449) 9.395 44.393 ( 12.345 14.525 -5.579) 19.862 44.908 ( 9.143 19.816 1.056) 21.849 ======================= Grid point 680 (285/294) ======================= q-point: ( 0.42 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 6.836 15.448 16.536) 23.639 3.491 ( -10.665 11.237 -3.850) 15.963 3.545 ( -5.227 2.508 17.258) 18.206 4.782 ( 2.762 -7.780 6.910) 10.766 4.823 ( -14.816 8.884 -10.354) 20.140 4.913 ( 8.160 -4.163 -6.871) 11.451 5.770 ( 1.528 -4.064 -14.781) 15.406 5.911 ( -18.032 8.263 6.503) 20.874 6.199 ( -5.017 13.680 -1.102) 14.613 7.335 ( 6.927 11.900 13.199) 19.074 7.707 ( -12.156 -9.462 -5.870) 16.485 8.282 ( -12.202 17.742 -16.112) 26.893 8.858 ( -0.936 2.628 6.569) 7.137 9.374 ( -7.134 5.142 0.865) 8.837 10.432 ( 7.924 -9.913 -0.221) 12.693 10.660 ( 1.735 -1.847 1.374) 2.882 11.546 ( 2.417 -3.711 5.488) 7.052 11.882 ( 21.616 -16.022 0.307) 26.908 20.722 ( 2.794 -2.518 -0.773) 3.840 20.829 ( 2.247 -1.657 -1.230) 3.051 20.876 ( 1.419 -3.102 0.930) 3.536 20.933 ( -0.596 -0.294 0.493) 0.828 24.957 ( 2.004 -2.373 0.395) 3.131 24.989 ( 3.219 -3.745 0.640) 4.980 32.443 ( 0.632 -0.596 -0.136) 0.880 32.483 ( 0.454 -0.421 0.034) 0.620 42.802 ( 3.279 9.698 -6.234) 11.986 43.227 ( -24.805 -6.867 -4.707) 26.165 43.900 ( -2.179 27.020 1.901) 27.175 44.534 ( -20.875 20.191 -1.009) 29.060 ======================= Grid point 681 (286/294) ======================= q-point: ( 0.50 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -11.671 13.295 11.848) 21.292 3.193 ( 0.250 12.331 -14.305) 18.888 3.964 ( 16.089 10.699 26.757) 33.004 4.282 ( -21.813 0.126 -21.458) 30.598 4.769 ( 3.385 -12.859 -3.235) 13.685 5.238 ( 11.934 6.590 3.376) 14.045 5.657 ( 0.147 -5.590 -12.328) 13.537 5.732 ( -18.878 7.652 24.146) 31.591 6.339 ( 2.857 20.857 -10.095) 23.347 7.381 ( -5.837 -11.170 -8.983) 15.477 7.698 ( 6.462 20.257 14.672) 25.833 8.168 ( -12.077 13.830 -8.326) 20.160 8.920 ( -0.141 4.251 2.300) 4.836 9.359 ( -3.437 8.175 3.599) 9.571 10.416 ( 3.507 -11.652 0.120) 12.169 10.679 ( 1.670 -1.471 0.047) 2.227 11.468 ( -3.904 -14.836 10.036) 18.332 12.034 ( 15.037 -13.070 -14.885) 24.870 20.715 ( 0.028 -3.821 0.544) 3.859 20.836 ( 0.359 -1.892 -0.904) 2.127 20.845 ( 1.437 -3.970 0.613) 4.267 20.957 ( 1.260 0.556 0.203) 1.392 24.958 ( 1.029 -3.036 0.256) 3.215 24.991 ( 1.621 -4.692 0.341) 4.976 32.444 ( 0.253 -0.682 -0.124) 0.738 32.483 ( 0.221 -0.690 -0.087) 0.730 42.773 ( -13.597 1.552 0.310) 13.689 43.109 ( 11.416 13.649 0.224) 17.795 43.959 ( -17.864 15.352 4.278) 23.939 44.566 ( -2.392 31.670 -8.010) 32.755 ======================= Grid point 682 (287/294) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( -10.214 -1.449 -9.184) 13.812 3.545 ( 7.849 22.704 -0.712) 24.033 3.908 ( -10.774 7.879 -16.218) 21.004 4.480 ( 18.054 -0.934 10.027) 20.673 4.669 ( 2.489 -11.384 1.999) 11.823 5.325 ( -15.124 21.153 -0.319) 26.005 5.612 ( -3.630 -3.909 12.726) 13.799 5.761 ( 9.944 -0.605 11.669) 15.343 6.524 ( -2.207 21.891 -10.875) 24.543 7.249 ( 6.920 -4.699 -9.493) 12.653 7.967 ( -10.110 6.840 -2.466) 12.453 8.178 ( 4.277 21.674 16.737) 27.716 8.944 ( -0.127 3.227 -4.676) 5.682 9.428 ( -0.859 5.937 4.750) 7.652 10.329 ( 0.594 -12.719 -0.632) 12.749 10.679 ( -0.440 -0.987 -1.010) 1.479 11.296 ( 1.392 -20.963 8.339) 22.604 11.952 ( -0.530 -10.108 -18.825) 21.373 20.669 ( -0.422 -4.581 1.563) 4.858 20.815 ( -0.433 -1.474 -0.115) 1.541 20.834 ( 1.550 -4.490 -0.674) 4.798 20.972 ( -0.717 1.307 0.009) 1.491 24.938 ( -0.004 -2.834 0.139) 2.838 24.959 ( 0.008 -4.347 0.024) 4.347 32.439 ( -0.130 -0.258 -0.036) 0.291 32.478 ( 0.149 -0.575 -0.260) 0.649 42.680 ( -0.904 3.024 4.523) 5.516 43.517 ( 6.810 15.994 12.647) 21.497 43.811 ( -6.873 12.328 -5.483) 15.142 44.847 ( 0.957 30.750 -8.496) 31.916 ======================= Grid point 684 (288/294) ======================= q-point: (-0.33 -0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 18.905 -0.175 -7.090) 20.191 3.731 ( 7.020 8.342 -18.390) 21.379 3.953 ( -6.166 24.227 4.586) 25.417 4.517 ( 9.344 -17.541 -8.403) 21.578 4.695 ( -2.729 -2.404 1.138) 3.811 5.344 ( -18.422 27.703 16.496) 37.134 5.631 ( 1.671 -0.941 13.653) 13.787 6.036 ( 15.414 0.962 7.216) 17.047 6.580 ( -4.886 16.026 -10.298) 19.666 7.399 ( 13.309 1.944 -6.665) 15.011 7.711 ( -16.086 -4.562 2.219) 16.867 8.631 ( 9.221 22.163 12.063) 26.865 8.955 ( 2.065 2.569 -7.626) 8.308 9.460 ( -1.440 0.035 2.594) 2.967 10.170 ( -3.157 -12.847 -3.039) 13.574 10.625 ( -2.430 -2.087 -2.464) 4.041 11.221 ( 7.966 -20.457 8.417) 23.512 11.661 ( -11.428 -6.169 -15.414) 20.156 20.637 ( 0.640 -3.839 1.714) 4.253 20.785 ( -1.534 -1.001 -0.054) 1.833 20.801 ( 0.555 -4.685 -1.099) 4.844 20.958 ( -2.229 1.369 -0.038) 2.616 24.908 ( -0.537 -2.027 0.042) 2.098 24.913 ( -0.766 -3.113 -0.180) 3.210 32.439 ( 0.133 0.468 -0.032) 0.487 32.476 ( 0.209 -0.173 -0.121) 0.297 42.823 ( 9.640 3.277 5.337) 11.496 43.522 ( -18.003 14.333 8.555) 24.550 44.153 ( 22.200 9.044 -0.720) 23.982 45.089 ( -0.863 25.204 -5.802) 25.878 ======================= Grid point 805 (289/294) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( -0.000 0.000 29.087) 29.087 2.783 ( -0.000 0.000 29.087) 29.087 3.754 ( 0.000 -0.000 -22.023) 22.023 3.754 ( 0.000 -0.000 -22.023) 22.023 4.523 ( -0.000 0.000 44.472) 44.472 5.312 ( -0.000 0.000 2.033) 2.033 5.312 ( -0.000 0.000 2.033) 2.033 5.966 ( 0.000 -0.000 -13.324) 13.324 6.057 ( 0.000 -0.000 -7.407) 7.407 7.522 ( 0.000 -0.000 -1.011) 1.011 7.522 ( 0.000 -0.000 -1.011) 1.011 7.547 ( 0.000 -0.000 -16.623) 16.623 8.809 ( 0.000 -0.000 -1.236) 1.236 8.809 ( 0.000 -0.000 -1.236) 1.236 10.689 ( -0.000 0.000 1.220) 1.220 10.689 ( -0.000 0.000 1.220) 1.220 11.588 ( -0.000 0.000 8.633) 8.633 12.905 ( 0.000 -0.000 -4.835) 4.835 20.869 ( 0.000 -0.000 -0.053) 0.053 20.869 ( 0.000 0.000 -0.053) 0.053 20.976 ( -0.000 0.000 0.097) 0.097 20.976 ( -0.000 0.000 0.097) 0.097 25.080 ( -0.000 0.000 2.658) 2.658 25.242 ( 0.000 -0.000 -2.479) 2.479 32.518 ( -0.000 0.000 0.002) 0.002 32.531 ( -0.000 0.000 0.010) 0.010 42.638 ( 0.000 0.000 0.144) 0.144 42.638 ( 0.000 0.000 0.144) 0.144 43.264 ( -0.000 -0.000 -0.143) 0.143 43.264 ( 0.000 0.000 -0.143) 0.143 ======================= Grid point 806 (290/294) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -12.652 -0.725 28.798) 31.463 3.133 ( 5.213 -6.873 -4.024) 9.519 3.507 ( -0.460 7.618 8.962) 11.772 4.048 ( 21.193 9.344 -22.563) 32.334 4.819 ( 7.861 1.290 26.233) 27.416 5.217 ( -5.278 -8.271 3.046) 10.273 5.430 ( 4.858 12.420 7.031) 15.076 5.889 ( 2.053 1.091 -21.673) 21.797 5.965 ( -4.834 -5.268 -0.751) 7.189 7.389 ( -8.041 3.662 3.705) 9.581 7.541 ( 7.884 -2.461 -1.027) 8.323 7.695 ( 11.014 4.158 -14.126) 18.389 8.820 ( -0.047 3.592 -0.034) 3.593 8.953 ( 12.050 5.150 -0.867) 13.133 10.683 ( -2.108 0.277 0.737) 2.250 10.689 ( 0.150 -1.809 0.864) 2.011 11.619 ( -0.806 -0.120 5.968) 6.023 12.693 ( -16.070 -9.560 -2.678) 18.890 20.845 ( -2.685 -0.231 -0.319) 2.714 20.863 ( 0.366 -1.479 0.134) 1.529 20.959 ( -1.430 0.111 0.579) 1.547 20.965 ( -1.120 -1.147 -0.515) 1.684 25.064 ( -2.279 -1.322 1.630) 3.098 25.175 ( -4.326 -2.493 -0.969) 5.086 32.497 ( -1.567 -0.910 0.015) 1.812 32.518 ( -0.982 -0.551 0.026) 1.127 42.670 ( 2.167 -1.279 -3.811) 4.567 42.797 ( 14.542 9.295 -2.501) 17.439 43.299 ( 4.367 5.093 4.939) 8.330 43.568 ( 22.055 11.742 -2.172) 25.080 ======================= Grid point 807 (291/294) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -10.022 4.797 16.824) 20.162 3.174 ( 17.141 -2.063 -10.271) 20.088 3.705 ( -2.537 10.506 25.167) 27.390 4.380 ( 22.873 -1.732 -21.506) 31.443 4.945 ( -6.534 -7.088 4.604) 10.684 5.044 ( -3.943 7.586 3.771) 9.344 5.769 ( -1.648 5.014 -19.562) 20.262 5.778 ( 5.596 -2.495 -1.291) 6.262 5.988 ( 15.425 7.998 12.521) 21.417 7.316 ( -5.574 -1.877 7.990) 9.922 7.731 ( 12.214 4.054 -0.213) 12.871 7.893 ( 13.706 8.138 -14.067) 21.260 8.868 ( 1.185 3.100 1.720) 3.738 9.238 ( 12.065 6.947 -1.662) 14.021 10.569 ( -7.839 -5.069 -1.428) 9.443 10.688 ( -0.527 -0.163 1.481) 1.581 11.603 ( -4.250 -2.438 0.303) 4.909 12.221 ( -21.697 -12.818 6.773) 26.095 20.769 ( -3.935 -1.937 -1.251) 4.561 20.847 ( -1.215 -1.043 0.412) 1.653 20.913 ( -2.280 -2.690 -0.326) 3.541 20.951 ( -0.322 1.289 0.509) 1.422 25.003 ( -3.117 -1.808 0.366) 3.622 25.061 ( -4.952 -2.856 0.183) 5.719 32.459 ( -1.453 -0.819 -0.041) 1.669 32.494 ( -0.952 -0.563 0.103) 1.111 42.663 ( 0.876 1.106 -5.407) 5.588 43.187 ( 22.014 5.476 -8.154) 24.105 43.528 ( 7.259 12.007 6.116) 15.306 44.165 ( 29.200 15.614 2.314) 33.193 ======================= Grid point 819 (292/294) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 4.181 -9.827 25.391) 27.546 3.072 ( -5.527 -5.103 -20.453) 21.793 3.662 ( 5.150 19.211 21.092) 28.990 3.866 ( -2.629 15.316 -23.338) 28.038 4.905 ( -2.758 0.870 18.060) 18.290 5.237 ( -1.759 -8.842 1.664) 9.168 5.444 ( 4.422 9.307 7.326) 12.643 5.808 ( 0.235 6.307 -18.270) 19.329 5.971 ( -1.229 -6.099 -0.318) 6.229 7.407 ( 1.956 -0.937 4.960) 5.414 7.532 ( 2.175 1.769 -2.549) 3.789 7.630 ( -4.548 10.308 -6.840) 13.181 8.825 ( 1.594 2.377 -0.599) 2.924 8.944 ( -0.848 12.494 0.280) 12.526 10.671 ( 0.034 -3.174 1.690) 3.596 10.702 ( -0.207 0.089 -0.321) 0.392 11.644 ( 0.177 -0.867 2.982) 3.110 12.697 ( -0.134 -16.022 -3.283) 16.355 20.834 ( 0.219 -3.062 0.844) 3.183 20.871 ( -0.403 -0.204 -0.626) 0.772 20.956 ( 0.572 -1.693 0.459) 1.844 20.969 ( -0.359 -0.897 -0.564) 1.119 25.071 ( -0.003 -2.844 0.928) 2.991 25.171 ( 0.003 -4.633 -0.601) 4.671 32.497 ( -0.006 -1.826 0.016) 1.826 32.518 ( 0.011 -1.078 -0.021) 1.078 42.613 ( -1.418 -0.972 3.283) 3.706 42.795 ( 1.195 13.239 -2.035) 13.448 43.372 ( 0.227 8.885 -4.095) 9.786 43.538 ( -0.025 27.115 1.421) 27.153 ======================= Grid point 820 (293/294) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 7.033 -7.207 -22.048) 24.239 2.980 ( -5.838 10.246 23.436) 26.236 3.884 ( 14.115 -1.009 -28.146) 31.503 4.083 ( -3.650 24.016 23.756) 33.977 4.947 ( 0.247 -5.620 3.561) 6.658 5.139 ( -0.228 -4.563 5.083) 6.834 5.643 ( 4.262 7.168 -5.714) 10.109 5.785 ( -2.363 1.695 -8.590) 9.069 5.954 ( 5.185 7.190 7.504) 11.614 7.458 ( 8.260 -2.850 -3.032) 9.249 7.534 ( -8.489 8.436 -2.579) 12.242 7.809 ( 10.634 12.360 7.842) 18.093 8.864 ( 1.968 2.749 -3.755) 5.052 9.152 ( 7.039 12.414 0.452) 14.278 10.606 ( -3.794 -6.425 0.485) 7.477 10.695 ( -0.224 -0.555 0.260) 0.652 11.637 ( -1.045 -1.292 -0.924) 1.902 12.372 ( -12.187 -21.371 0.863) 24.616 20.790 ( -1.773 -3.283 -0.407) 3.754 20.857 ( -0.481 -1.198 1.351) 1.868 20.924 ( -2.463 -1.685 -1.224) 3.226 20.953 ( 0.476 -1.183 0.134) 1.282 25.023 ( -1.842 -3.192 0.016) 3.685 25.092 ( -2.846 -4.928 -0.010) 5.691 32.469 ( -0.926 -1.647 0.030) 1.889 32.501 ( -0.603 -0.995 -0.052) 1.165 42.700 ( 4.688 3.789 2.594) 6.562 42.909 ( 1.171 8.797 -0.298) 8.880 43.609 ( 12.780 17.232 -2.828) 21.639 43.950 ( 14.233 27.115 0.642) 30.630 ======================= Grid point 976 (294/294) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 2.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( -0.000 0.000 0.000) 0.000 3.102 ( -0.000 0.000 0.000) 0.000 3.490 ( 0.000 -0.000 -0.000) 0.000 3.490 ( 0.000 -0.000 -0.000) 0.000 4.978 ( 0.000 -0.000 -0.000) 0.000 5.329 ( -0.000 0.000 0.000) 0.000 5.329 ( -0.000 0.000 0.000) 0.000 5.699 ( -0.000 0.000 0.000) 0.000 6.058 ( -0.000 0.000 0.000) 0.000 7.413 ( -0.000 0.000 0.000) 0.000 7.514 ( -0.000 0.000 0.000) 0.000 7.514 ( -0.000 0.000 0.000) 0.000 8.800 ( -0.000 0.000 0.000) 0.000 8.800 ( -0.000 0.000 0.000) 0.000 10.699 ( -0.000 0.000 0.000) 0.000 10.699 ( -0.000 0.000 0.000) 0.000 11.659 ( -0.000 0.000 0.000) 0.000 12.864 ( -0.000 0.000 0.000) 0.000 20.868 ( -0.000 0.000 0.000) 0.000 20.868 ( -0.000 0.000 0.000) 0.000 20.977 ( -0.000 0.000 0.000) 0.000 20.977 ( -0.000 0.000 0.000) 0.000 25.105 ( -0.000 0.000 0.000) 0.000 25.218 ( -0.000 0.000 0.000) 0.000 32.518 ( -0.000 0.000 0.000) 0.000 32.531 ( -0.000 0.000 0.000) 0.000 42.639 ( -0.000 0.000 0.000) 0.000 42.639 ( -0.000 0.000 0.000) 0.000 43.263 ( -0.000 0.000 0.000) 0.000 43.263 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/51840 10.0 552.942 552.942 986.499 0.000 -0.000 -0.000 3/51840 20.0 399.090 399.090 443.928 0.000 -0.000 -0.000 3/51840 30.0 190.908 190.908 179.875 0.000 -0.000 -0.000 3/51840 40.0 109.661 109.661 97.493 0.000 -0.000 -0.000 3/51840 50.0 72.335 72.335 62.921 0.000 -0.000 -0.000 3/51840 60.0 52.115 52.115 44.925 0.000 -0.000 -0.000 3/51840 70.0 39.956 39.956 34.297 0.000 -0.000 -0.000 3/51840 80.0 32.085 32.085 27.471 0.000 -0.000 -0.000 3/51840 90.0 26.691 26.691 22.806 0.000 -0.000 -0.000 3/51840 100.0 22.818 22.818 19.460 0.000 -0.000 -0.000 3/51840 110.0 19.929 19.929 16.963 0.000 -0.000 -0.000 3/51840 120.0 17.702 17.702 15.037 0.000 -0.000 -0.000 3/51840 130.0 15.938 15.938 13.511 0.000 -0.000 -0.000 3/51840 140.0 14.507 14.507 12.274 0.000 -0.000 -0.000 3/51840 150.0 13.324 13.324 11.252 0.000 -0.000 -0.000 3/51840 160.0 12.328 12.328 10.393 0.000 -0.000 -0.000 3/51840 170.0 11.478 11.478 9.661 0.000 -0.000 -0.000 3/51840 180.0 10.744 10.744 9.029 0.000 -0.000 -0.000 3/51840 190.0 10.104 10.104 8.479 0.000 -0.000 -0.000 3/51840 200.0 9.540 9.540 7.996 0.000 -0.000 -0.000 3/51840 210.0 9.039 9.039 7.568 0.000 -0.000 -0.000 3/51840 220.0 8.591 8.591 7.186 0.000 -0.000 -0.000 3/51840 230.0 8.189 8.189 6.843 0.000 -0.000 -0.000 3/51840 240.0 7.825 7.825 6.535 0.000 -0.000 -0.000 3/51840 250.0 7.495 7.495 6.256 0.000 -0.000 -0.000 3/51840 260.0 7.195 7.195 6.002 0.000 -0.000 -0.000 3/51840 270.0 6.920 6.920 5.771 0.000 -0.000 -0.000 3/51840 280.0 6.668 6.668 5.560 0.000 -0.000 -0.000 3/51840 290.0 6.436 6.436 5.366 0.000 -0.000 -0.000 3/51840 300.0 6.222 6.222 5.188 0.000 -0.000 -0.000 3/51840 310.0 6.025 6.025 5.023 0.000 -0.000 -0.000 3/51840 320.0 5.841 5.841 4.872 0.000 -0.000 -0.000 3/51840 330.0 5.671 5.671 4.732 0.000 -0.000 -0.000 3/51840 340.0 5.512 5.512 4.602 0.000 -0.000 -0.000 3/51840 350.0 5.365 5.365 4.481 0.000 -0.000 -0.000 3/51840 360.0 5.227 5.227 4.368 0.000 -0.000 -0.000 3/51840 370.0 5.097 5.097 4.263 0.000 -0.000 -0.000 3/51840 380.0 4.976 4.976 4.165 0.000 -0.000 -0.000 3/51840 390.0 4.862 4.862 4.074 0.000 -0.000 -0.000 3/51840 400.0 4.755 4.755 3.987 0.000 -0.000 -0.000 3/51840 410.0 4.654 4.654 3.907 0.000 -0.000 -0.000 3/51840 420.0 4.558 4.558 3.830 0.000 -0.000 -0.000 3/51840 430.0 4.468 4.468 3.759 0.000 -0.000 -0.000 3/51840 440.0 4.383 4.383 3.691 0.000 -0.000 -0.000 3/51840 450.0 4.301 4.301 3.626 0.000 -0.000 -0.000 3/51840 460.0 4.224 4.224 3.566 0.000 -0.000 -0.000 3/51840 470.0 4.151 4.151 3.508 0.000 -0.000 -0.000 3/51840 480.0 4.081 4.081 3.453 0.000 -0.000 -0.000 3/51840 490.0 4.014 4.014 3.400 0.000 -0.000 -0.000 3/51840 500.0 3.950 3.950 3.350 0.000 -0.000 -0.000 3/51840 510.0 3.889 3.889 3.302 0.000 -0.000 -0.000 3/51840 520.0 3.830 3.830 3.256 0.000 -0.000 -0.000 3/51840 530.0 3.774 3.774 3.212 0.000 -0.000 -0.000 3/51840 540.0 3.720 3.720 3.170 0.000 -0.000 -0.000 3/51840 550.0 3.668 3.668 3.130 0.000 -0.000 -0.000 3/51840 560.0 3.618 3.618 3.090 0.000 -0.000 -0.000 3/51840 570.0 3.570 3.570 3.053 0.000 -0.000 -0.000 3/51840 580.0 3.523 3.523 3.016 0.000 -0.000 -0.000 3/51840 590.0 3.478 3.478 2.981 0.000 -0.000 -0.000 3/51840 600.0 3.434 3.434 2.947 0.000 -0.000 -0.000 3/51840 610.0 3.392 3.392 2.914 0.000 -0.000 -0.000 3/51840 620.0 3.351 3.351 2.882 0.000 -0.000 -0.000 3/51840 630.0 3.312 3.312 2.851 0.000 -0.000 -0.000 3/51840 640.0 3.273 3.273 2.820 0.000 -0.000 -0.000 3/51840 650.0 3.236 3.236 2.791 0.000 -0.000 -0.000 3/51840 660.0 3.200 3.200 2.762 0.000 -0.000 -0.000 3/51840 670.0 3.164 3.164 2.734 0.000 -0.000 -0.000 3/51840 680.0 3.130 3.130 2.707 0.000 -0.000 -0.000 3/51840 690.0 3.096 3.096 2.681 0.000 -0.000 -0.000 3/51840 700.0 3.064 3.064 2.655 0.000 -0.000 -0.000 3/51840 710.0 3.032 3.032 2.629 0.000 -0.000 -0.000 3/51840 720.0 3.001 3.001 2.605 0.000 -0.000 -0.000 3/51840 730.0 2.970 2.970 2.580 0.000 -0.000 -0.000 3/51840 740.0 2.941 2.941 2.557 0.000 -0.000 -0.000 3/51840 750.0 2.912 2.912 2.533 0.000 -0.000 -0.000 3/51840 760.0 2.883 2.883 2.511 0.000 -0.000 -0.000 3/51840 770.0 2.856 2.856 2.488 0.000 -0.000 -0.000 3/51840 780.0 2.828 2.828 2.466 0.000 -0.000 -0.000 3/51840 790.0 2.802 2.802 2.445 0.000 -0.000 -0.000 3/51840 800.0 2.776 2.776 2.424 0.000 -0.000 -0.000 3/51840 810.0 2.750 2.750 2.403 0.000 -0.000 -0.000 3/51840 820.0 2.725 2.725 2.383 0.000 -0.000 -0.000 3/51840 830.0 2.701 2.701 2.363 0.000 -0.000 -0.000 3/51840 840.0 2.677 2.677 2.343 0.000 -0.000 -0.000 3/51840 850.0 2.653 2.653 2.324 0.000 -0.000 -0.000 3/51840 860.0 2.630 2.630 2.305 0.000 -0.000 -0.000 3/51840 870.0 2.607 2.607 2.287 0.000 -0.000 -0.000 3/51840 880.0 2.585 2.585 2.268 0.000 -0.000 -0.000 3/51840 890.0 2.563 2.563 2.250 0.000 -0.000 -0.000 3/51840 900.0 2.542 2.542 2.233 0.000 -0.000 -0.000 3/51840 910.0 2.520 2.520 2.215 0.000 -0.000 -0.000 3/51840 920.0 2.500 2.500 2.198 0.000 -0.000 -0.000 3/51840 930.0 2.479 2.479 2.181 0.000 -0.000 -0.000 3/51840 940.0 2.459 2.459 2.164 0.000 -0.000 -0.000 3/51840 950.0 2.439 2.439 2.148 0.000 -0.000 -0.000 3/51840 960.0 2.420 2.420 2.132 0.000 -0.000 -0.000 3/51840 970.0 2.401 2.401 2.116 0.000 -0.000 -0.000 3/51840 980.0 2.382 2.382 2.100 0.000 -0.000 -0.000 3/51840 990.0 2.363 2.363 2.085 0.000 -0.000 -0.000 3/51840 1000.0 2.345 2.345 2.069 0.000 -0.000 -0.000 3/51840 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:45:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|