----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:19:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.020660000732335 1.743978864553145 4.725862363333327 b -3.020660000732329 1.743978864553145 4.725862363333327 c 0.000000000000003 -3.487957729106296 4.725862363333327 Atomic positions (fractional): *1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 *2 Sr 0.26262172324131 0.26262172324131 0.26262172324131 87.620 3 Sr 0.73737827675869 0.73737827675869 0.73737827675869 87.620 *4 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 *5 O 0.29649518276439 0.81198205912212 0.63122847330994 15.999 6 O 0.36877152669006 0.70350481723561 0.18801794087788 15.999 7 O 0.70350481723561 0.18801794087788 0.36877152669006 15.999 8 O 0.63122847330994 0.29649518276439 0.81198205912212 15.999 9 O 0.81198205912212 0.63122847330994 0.29649518276439 15.999 10 O 0.18801794087788 0.36877152669007 0.70350481723561 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.041320001464664 0.000000000000000 0.000000000000000 b -3.020660000732332 5.231936593659441 0.000000000000000 c 0.000000000000000 0.000000000000000 14.177587089999998 Atomic positions (fractional): *1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 1 *2 Sr 0.33333333333333 0.66666666666667 0.92928838990798 87.620 > 2 3 Sr 0.33333333333333 0.66666666666667 0.40404494342536 87.620 > 3 4 Sr 0.66666666666667 0.33333333333333 0.33333333333333 87.620 > 1 5 Sr 0.00000000000000 0.00000000000000 0.26262172324131 87.620 > 2 6 Sr 0.00000000000000 0.00000000000000 0.73737827675869 87.620 > 3 7 Sr 0.33333333333333 0.66666666666667 0.66666666666667 87.620 > 1 8 Sr 0.66666666666667 0.33333333333333 0.59595505657464 87.620 > 2 9 Sr 0.66666666666667 0.33333333333333 0.07071161009202 87.620 > 3 *10 Te 0.33333333333333 0.66666666666667 0.16666666666667 127.600 > 4 11 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 4 12 Te 0.66666666666667 0.33333333333333 0.83333333333333 127.600 > 4 *13 O 0.04992661103224 0.61534009842221 0.24656857173215 15.999 > 5 14 O 0.28200676508888 0.89874682072330 0.08676476160119 15.999 > 6 15 O 0.61674005563442 0.71799323491112 0.08676476160119 15.999 > 7 16 O 0.38465990157779 0.43458651261003 0.24656857173215 15.999 > 8 17 O 0.56541348738997 0.95007338896776 0.24656857173215 15.999 > 9 18 O 0.10125317927670 0.38325994436558 0.08676476160119 15.999 > 10 19 O 0.71659327769891 0.94867343175555 0.57990190506548 15.999 > 5 20 O 0.94867343175555 0.23208015405664 0.42009809493452 15.999 > 6 21 O 0.28340672230109 0.05132656824445 0.42009809493452 15.999 > 7 22 O 0.05132656824445 0.76791984594337 0.57990190506548 15.999 > 8 23 O 0.23208015405664 0.28340672230109 0.57990190506548 15.999 > 9 24 O 0.76791984594337 0.71659327769891 0.42009809493452 15.999 > 10 25 O 0.38325994436558 0.28200676508888 0.91323523839882 15.999 > 5 26 O 0.61534009842221 0.56541348738997 0.75343142826785 15.999 > 6 27 O 0.95007338896776 0.38465990157779 0.75343142826785 15.999 > 7 28 O 0.71799323491112 0.10125317927670 0.91323523839882 15.999 > 8 29 O 0.89874682072330 0.61674005563442 0.91323523839882 15.999 > 9 30 O 0.43458651261003 0.04992661103224 0.75343142826785 15.999 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.082640002929327 0.000000000000000 0.000000000000000 b -6.041320001464664 10.463873187318882 0.000000000000000 c 0.000000000000000 0.000000000000000 14.177587089999998 Atomic positions (fractional): *1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 1 2 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 1 3 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 1 4 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 1 *5 Sr 0.16666666666667 0.33333333333333 0.92928838990798 87.620 > 2 6 Sr 0.66666666666667 0.33333333333333 0.92928838990798 87.620 > 2 7 Sr 0.16666666666667 0.83333333333333 0.92928838990798 87.620 > 2 8 Sr 0.66666666666667 0.83333333333333 0.92928838990798 87.620 > 2 9 Sr 0.16666666666667 0.33333333333333 0.40404494342536 87.620 > 3 10 Sr 0.66666666666667 0.33333333333333 0.40404494342536 87.620 > 3 11 Sr 0.16666666666667 0.83333333333333 0.40404494342536 87.620 > 3 12 Sr 0.66666666666667 0.83333333333333 0.40404494342536 87.620 > 3 13 Sr 0.33333333333333 0.16666666666667 0.33333333333333 87.620 > 1 14 Sr 0.83333333333333 0.16666666666667 0.33333333333333 87.620 > 1 15 Sr 0.33333333333333 0.66666666666667 0.33333333333333 87.620 > 1 16 Sr 0.83333333333333 0.66666666666667 0.33333333333333 87.620 > 1 17 Sr 0.00000000000000 0.00000000000000 0.26262172324131 87.620 > 2 18 Sr 0.50000000000000 0.00000000000000 0.26262172324131 87.620 > 2 19 Sr 0.00000000000000 0.50000000000000 0.26262172324131 87.620 > 2 20 Sr 0.50000000000000 0.50000000000000 0.26262172324131 87.620 > 2 21 Sr 0.00000000000000 0.00000000000000 0.73737827675869 87.620 > 3 22 Sr 0.50000000000000 0.00000000000000 0.73737827675869 87.620 > 3 23 Sr 0.00000000000000 0.50000000000000 0.73737827675869 87.620 > 3 24 Sr 0.50000000000000 0.50000000000000 0.73737827675869 87.620 > 3 25 Sr 0.16666666666667 0.33333333333333 0.66666666666667 87.620 > 1 26 Sr 0.66666666666667 0.33333333333333 0.66666666666667 87.620 > 1 27 Sr 0.16666666666667 0.83333333333333 0.66666666666667 87.620 > 1 28 Sr 0.66666666666667 0.83333333333333 0.66666666666667 87.620 > 1 29 Sr 0.33333333333333 0.16666666666667 0.59595505657464 87.620 > 2 30 Sr 0.83333333333333 0.16666666666667 0.59595505657464 87.620 > 2 31 Sr 0.33333333333333 0.66666666666667 0.59595505657464 87.620 > 2 32 Sr 0.83333333333333 0.66666666666667 0.59595505657464 87.620 > 2 33 Sr 0.33333333333333 0.16666666666667 0.07071161009202 87.620 > 3 34 Sr 0.83333333333333 0.16666666666667 0.07071161009202 87.620 > 3 35 Sr 0.33333333333333 0.66666666666667 0.07071161009202 87.620 > 3 36 Sr 0.83333333333333 0.66666666666667 0.07071161009202 87.620 > 3 *37 Te 0.16666666666667 0.33333333333333 0.16666666666667 127.600 > 4 38 Te 0.66666666666667 0.33333333333333 0.16666666666667 127.600 > 4 39 Te 0.16666666666667 0.83333333333333 0.16666666666667 127.600 > 4 40 Te 0.66666666666667 0.83333333333333 0.16666666666667 127.600 > 4 41 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 4 42 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 4 43 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 4 44 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 4 45 Te 0.33333333333333 0.16666666666667 0.83333333333333 127.600 > 4 46 Te 0.83333333333333 0.16666666666667 0.83333333333333 127.600 > 4 47 Te 0.33333333333333 0.66666666666667 0.83333333333333 127.600 > 4 48 Te 0.83333333333333 0.66666666666667 0.83333333333333 127.600 > 4 *49 O 0.02496330551612 0.30767004921111 0.24656857173215 15.999 > 5 50 O 0.52496330551612 0.30767004921111 0.24656857173215 15.999 > 5 51 O 0.02496330551612 0.80767004921111 0.24656857173215 15.999 > 5 52 O 0.52496330551612 0.80767004921111 0.24656857173215 15.999 > 5 53 O 0.14100338254444 0.44937341036165 0.08676476160119 15.999 > 6 54 O 0.64100338254444 0.44937341036165 0.08676476160119 15.999 > 6 55 O 0.14100338254444 0.94937341036165 0.08676476160119 15.999 > 6 56 O 0.64100338254444 0.94937341036165 0.08676476160119 15.999 > 6 57 O 0.30837002781721 0.35899661745556 0.08676476160119 15.999 > 7 58 O 0.80837002781721 0.35899661745556 0.08676476160119 15.999 > 7 59 O 0.30837002781721 0.85899661745556 0.08676476160119 15.999 > 7 60 O 0.80837002781721 0.85899661745556 0.08676476160119 15.999 > 7 61 O 0.19232995078889 0.21729325630502 0.24656857173215 15.999 > 8 62 O 0.69232995078889 0.21729325630502 0.24656857173215 15.999 > 8 63 O 0.19232995078889 0.71729325630502 0.24656857173215 15.999 > 8 64 O 0.69232995078889 0.71729325630502 0.24656857173215 15.999 > 8 65 O 0.28270674369498 0.47503669448388 0.24656857173215 15.999 > 9 66 O 0.78270674369498 0.47503669448388 0.24656857173215 15.999 > 9 67 O 0.28270674369498 0.97503669448388 0.24656857173215 15.999 > 9 68 O 0.78270674369498 0.97503669448388 0.24656857173215 15.999 > 9 69 O 0.05062658963835 0.19162997218279 0.08676476160119 15.999 > 10 70 O 0.55062658963835 0.19162997218279 0.08676476160119 15.999 > 10 71 O 0.05062658963835 0.69162997218279 0.08676476160119 15.999 > 10 72 O 0.55062658963835 0.69162997218279 0.08676476160119 15.999 > 10 73 O 0.35829663884946 0.47433671587777 0.57990190506548 15.999 > 5 74 O 0.85829663884946 0.47433671587777 0.57990190506548 15.999 > 5 75 O 0.35829663884946 0.97433671587777 0.57990190506548 15.999 > 5 76 O 0.85829663884946 0.97433671587777 0.57990190506548 15.999 > 5 77 O 0.47433671587777 0.11604007702832 0.42009809493452 15.999 > 6 78 O 0.97433671587777 0.11604007702832 0.42009809493452 15.999 > 6 79 O 0.47433671587777 0.61604007702832 0.42009809493452 15.999 > 6 80 O 0.97433671587777 0.61604007702832 0.42009809493452 15.999 > 6 81 O 0.14170336115054 0.02566328412223 0.42009809493452 15.999 > 7 82 O 0.64170336115054 0.02566328412223 0.42009809493452 15.999 > 7 83 O 0.14170336115054 0.52566328412223 0.42009809493452 15.999 > 7 84 O 0.64170336115054 0.52566328412223 0.42009809493452 15.999 > 7 85 O 0.02566328412223 0.38395992297168 0.57990190506548 15.999 > 8 86 O 0.52566328412223 0.38395992297168 0.57990190506548 15.999 > 8 87 O 0.02566328412223 0.88395992297168 0.57990190506548 15.999 > 8 88 O 0.52566328412223 0.88395992297168 0.57990190506548 15.999 > 8 89 O 0.11604007702832 0.14170336115054 0.57990190506548 15.999 > 9 90 O 0.61604007702832 0.14170336115054 0.57990190506548 15.999 > 9 91 O 0.11604007702832 0.64170336115054 0.57990190506548 15.999 > 9 92 O 0.61604007702832 0.64170336115054 0.57990190506548 15.999 > 9 93 O 0.38395992297168 0.35829663884946 0.42009809493452 15.999 > 10 94 O 0.88395992297168 0.35829663884946 0.42009809493452 15.999 > 10 95 O 0.38395992297168 0.85829663884946 0.42009809493452 15.999 > 10 96 O 0.88395992297168 0.85829663884946 0.42009809493452 15.999 > 10 97 O 0.19162997218279 0.14100338254444 0.91323523839882 15.999 > 5 98 O 0.69162997218279 0.14100338254444 0.91323523839882 15.999 > 5 99 O 0.19162997218279 0.64100338254444 0.91323523839882 15.999 > 5 100 O 0.69162997218279 0.64100338254444 0.91323523839882 15.999 > 5 101 O 0.30767004921111 0.28270674369498 0.75343142826785 15.999 > 6 102 O 0.80767004921111 0.28270674369498 0.75343142826785 15.999 > 6 103 O 0.30767004921111 0.78270674369498 0.75343142826785 15.999 > 6 104 O 0.80767004921111 0.78270674369498 0.75343142826785 15.999 > 6 105 O 0.47503669448388 0.19232995078889 0.75343142826785 15.999 > 7 106 O 0.97503669448388 0.19232995078889 0.75343142826785 15.999 > 7 107 O 0.47503669448388 0.69232995078889 0.75343142826785 15.999 > 7 108 O 0.97503669448388 0.69232995078889 0.75343142826785 15.999 > 7 109 O 0.35899661745556 0.05062658963835 0.91323523839882 15.999 > 8 110 O 0.85899661745556 0.05062658963835 0.91323523839882 15.999 > 8 111 O 0.35899661745556 0.55062658963835 0.91323523839882 15.999 > 8 112 O 0.85899661745556 0.55062658963835 0.91323523839882 15.999 > 8 113 O 0.44937341036165 0.30837002781721 0.91323523839882 15.999 > 9 114 O 0.94937341036165 0.30837002781721 0.91323523839882 15.999 > 9 115 O 0.44937341036165 0.80837002781721 0.91323523839882 15.999 > 9 116 O 0.94937341036165 0.80837002781721 0.91323523839882 15.999 > 9 117 O 0.21729325630502 0.02496330551612 0.75343142826785 15.999 > 10 118 O 0.71729325630502 0.02496330551612 0.75343142826785 15.999 > 10 119 O 0.21729325630502 0.52496330551612 0.75343142826785 15.999 > 10 120 O 0.71729325630502 0.52496330551612 0.75343142826785 15.999 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7009537 0.0000009 0.0000000 -0.0000009 3.7009537 0.0000000 0.0000000 0.0000000 3.6435967 -------------------------- Born effective charges -------------------------- 1 Sr 2.8480395 0.2706239 0.0000000 -0.2706239 2.8480396 -0.0000000 0.0000000 -0.0000000 2.4094131 2 Sr 2.5126686 -0.0790860 0.0000000 0.0790860 2.5126686 -0.0000000 0.0000000 -0.0000000 2.3811474 3 Sr 2.5126686 -0.0790860 0.0000000 0.0790860 2.5126686 -0.0000000 0.0000000 -0.0000000 2.3811474 4 Te 4.7411542 -0.0889837 0.0000000 0.0889837 4.7411542 -0.0000000 0.0000000 -0.0000000 5.1728761 5 O -2.4450162 -0.1016522 0.4880328 -0.0938294 -1.7598275 0.1077045 0.5200508 0.1310905 -2.0574307 6 O -2.0157706 0.3416544 -0.3372912 0.3494772 -2.1890730 0.3687966 -0.3735530 0.3848319 -2.0574307 7 O -2.4450162 -0.1016522 0.4880328 -0.0938294 -1.7598275 0.1077045 0.5200508 0.1310905 -2.0574307 8 O -2.0157706 0.3416544 -0.3372912 0.3494772 -2.1890730 0.3687966 -0.3735530 0.3848319 -2.0574307 9 O -1.8464787 -0.2517364 -0.1507416 -0.2439136 -2.3583650 -0.4765011 -0.1464977 -0.5159224 -2.0574307 10 O -1.8464787 -0.2517364 -0.1507416 -0.2439136 -2.3583650 -0.4765011 -0.1464977 -0.5159224 -2.0574307 ---------------------------------------------------------------------------- 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: 7176/7176 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 952 Number of blocks in projector: 476 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (952, 935), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (126, 122), data: True |-- (386, 382), data: True |-- (438, 429), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.018 Solver_block: 100 / 240 - Time: 1.098 Solver_block: 200 / 240 - Time: 1.066 Solver_block: 240 / 240 - Time: 0.483 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.681 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 7176/7176 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 952 Number of blocks in projector: 476 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (952, 935), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (126, 122), data: True |-- (386, 382), data: True |-- (438, 429), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 01:19:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:19:33]------------------------- 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 3.020660000732335 1.743978864553145 4.725862363333327 b -3.020660000732329 1.743978864553145 4.725862363333327 c 0.000000000000003 -3.487957729106296 4.725862363333327 Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 2 Sr 0.26262172324131 0.26262172324131 0.26262172324131 87.620 3 Sr 0.73737827675869 0.73737827675869 0.73737827675869 87.620 4 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 5 O 0.29649518276439 0.81198205912212 0.63122847330994 15.999 6 O 0.36877152669006 0.70350481723561 0.18801794087788 15.999 7 O 0.70350481723561 0.18801794087788 0.36877152669006 15.999 8 O 0.63122847330994 0.29649518276439 0.81198205912212 15.999 9 O 0.81198205912212 0.63122847330994 0.29649518276439 15.999 10 O 0.18801794087788 0.36877152669007 0.70350481723561 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.082640002929327 0.000000000000000 0.000000000000000 b -6.041320001464664 10.463873187318882 0.000000000000000 c 0.000000000000000 0.000000000000000 14.177587089999998 Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 1 2 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 1 3 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 1 4 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 1 5 Sr 0.16666666666667 0.33333333333333 0.92928838990798 87.620 > 5 6 Sr 0.66666666666667 0.33333333333333 0.92928838990798 87.620 > 5 7 Sr 0.16666666666667 0.83333333333333 0.92928838990798 87.620 > 5 8 Sr 0.66666666666667 0.83333333333333 0.92928838990798 87.620 > 5 9 Sr 0.16666666666667 0.33333333333333 0.40404494342536 87.620 > 9 10 Sr 0.66666666666667 0.33333333333333 0.40404494342536 87.620 > 9 11 Sr 0.16666666666667 0.83333333333333 0.40404494342536 87.620 > 9 12 Sr 0.66666666666667 0.83333333333333 0.40404494342536 87.620 > 9 13 Sr 0.33333333333333 0.16666666666667 0.33333333333333 87.620 > 1 14 Sr 0.83333333333333 0.16666666666667 0.33333333333333 87.620 > 1 15 Sr 0.33333333333333 0.66666666666667 0.33333333333333 87.620 > 1 16 Sr 0.83333333333333 0.66666666666667 0.33333333333333 87.620 > 1 17 Sr 0.00000000000000 0.00000000000000 0.26262172324131 87.620 > 5 18 Sr 0.50000000000000 0.00000000000000 0.26262172324131 87.620 > 5 19 Sr 0.00000000000000 0.50000000000000 0.26262172324131 87.620 > 5 20 Sr 0.50000000000000 0.50000000000000 0.26262172324131 87.620 > 5 21 Sr 0.00000000000000 0.00000000000000 0.73737827675869 87.620 > 9 22 Sr 0.50000000000000 0.00000000000000 0.73737827675869 87.620 > 9 23 Sr 0.00000000000000 0.50000000000000 0.73737827675869 87.620 > 9 24 Sr 0.50000000000000 0.50000000000000 0.73737827675869 87.620 > 9 25 Sr 0.16666666666667 0.33333333333333 0.66666666666667 87.620 > 1 26 Sr 0.66666666666667 0.33333333333333 0.66666666666667 87.620 > 1 27 Sr 0.16666666666667 0.83333333333333 0.66666666666667 87.620 > 1 28 Sr 0.66666666666667 0.83333333333333 0.66666666666667 87.620 > 1 29 Sr 0.33333333333333 0.16666666666667 0.59595505657464 87.620 > 5 30 Sr 0.83333333333333 0.16666666666667 0.59595505657464 87.620 > 5 31 Sr 0.33333333333333 0.66666666666667 0.59595505657464 87.620 > 5 32 Sr 0.83333333333333 0.66666666666667 0.59595505657464 87.620 > 5 33 Sr 0.33333333333333 0.16666666666667 0.07071161009202 87.620 > 9 34 Sr 0.83333333333333 0.16666666666667 0.07071161009202 87.620 > 9 35 Sr 0.33333333333333 0.66666666666667 0.07071161009202 87.620 > 9 36 Sr 0.83333333333333 0.66666666666667 0.07071161009202 87.620 > 9 37 Te 0.16666666666667 0.33333333333333 0.16666666666667 127.600 > 37 38 Te 0.66666666666667 0.33333333333333 0.16666666666667 127.600 > 37 39 Te 0.16666666666667 0.83333333333333 0.16666666666667 127.600 > 37 40 Te 0.66666666666667 0.83333333333333 0.16666666666667 127.600 > 37 41 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 37 42 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 37 43 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 37 44 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 37 45 Te 0.33333333333333 0.16666666666667 0.83333333333333 127.600 > 37 46 Te 0.83333333333333 0.16666666666667 0.83333333333333 127.600 > 37 47 Te 0.33333333333333 0.66666666666667 0.83333333333333 127.600 > 37 48 Te 0.83333333333333 0.66666666666667 0.83333333333333 127.600 > 37 49 O 0.02496330551612 0.30767004921111 0.24656857173215 15.999 > 49 50 O 0.52496330551612 0.30767004921111 0.24656857173215 15.999 > 49 51 O 0.02496330551612 0.80767004921111 0.24656857173215 15.999 > 49 52 O 0.52496330551612 0.80767004921111 0.24656857173215 15.999 > 49 53 O 0.14100338254444 0.44937341036165 0.08676476160119 15.999 > 53 54 O 0.64100338254444 0.44937341036165 0.08676476160119 15.999 > 53 55 O 0.14100338254444 0.94937341036165 0.08676476160119 15.999 > 53 56 O 0.64100338254444 0.94937341036165 0.08676476160119 15.999 > 53 57 O 0.30837002781721 0.35899661745556 0.08676476160119 15.999 > 57 58 O 0.80837002781721 0.35899661745556 0.08676476160119 15.999 > 57 59 O 0.30837002781721 0.85899661745556 0.08676476160119 15.999 > 57 60 O 0.80837002781721 0.85899661745556 0.08676476160119 15.999 > 57 61 O 0.19232995078889 0.21729325630502 0.24656857173215 15.999 > 61 62 O 0.69232995078889 0.21729325630502 0.24656857173215 15.999 > 61 63 O 0.19232995078889 0.71729325630502 0.24656857173215 15.999 > 61 64 O 0.69232995078889 0.71729325630502 0.24656857173215 15.999 > 61 65 O 0.28270674369498 0.47503669448388 0.24656857173215 15.999 > 65 66 O 0.78270674369498 0.47503669448388 0.24656857173215 15.999 > 65 67 O 0.28270674369498 0.97503669448388 0.24656857173215 15.999 > 65 68 O 0.78270674369498 0.97503669448388 0.24656857173215 15.999 > 65 69 O 0.05062658963835 0.19162997218279 0.08676476160119 15.999 > 69 70 O 0.55062658963835 0.19162997218279 0.08676476160119 15.999 > 69 71 O 0.05062658963835 0.69162997218279 0.08676476160119 15.999 > 69 72 O 0.55062658963835 0.69162997218279 0.08676476160119 15.999 > 69 73 O 0.35829663884946 0.47433671587777 0.57990190506548 15.999 > 49 74 O 0.85829663884946 0.47433671587777 0.57990190506548 15.999 > 49 75 O 0.35829663884946 0.97433671587777 0.57990190506548 15.999 > 49 76 O 0.85829663884946 0.97433671587777 0.57990190506548 15.999 > 49 77 O 0.47433671587777 0.11604007702832 0.42009809493452 15.999 > 53 78 O 0.97433671587777 0.11604007702832 0.42009809493452 15.999 > 53 79 O 0.47433671587777 0.61604007702832 0.42009809493452 15.999 > 53 80 O 0.97433671587777 0.61604007702832 0.42009809493452 15.999 > 53 81 O 0.14170336115054 0.02566328412223 0.42009809493452 15.999 > 57 82 O 0.64170336115054 0.02566328412223 0.42009809493452 15.999 > 57 83 O 0.14170336115054 0.52566328412223 0.42009809493452 15.999 > 57 84 O 0.64170336115054 0.52566328412223 0.42009809493452 15.999 > 57 85 O 0.02566328412223 0.38395992297168 0.57990190506548 15.999 > 61 86 O 0.52566328412223 0.38395992297168 0.57990190506548 15.999 > 61 87 O 0.02566328412223 0.88395992297168 0.57990190506548 15.999 > 61 88 O 0.52566328412223 0.88395992297168 0.57990190506548 15.999 > 61 89 O 0.11604007702832 0.14170336115054 0.57990190506548 15.999 > 65 90 O 0.61604007702832 0.14170336115054 0.57990190506548 15.999 > 65 91 O 0.11604007702832 0.64170336115054 0.57990190506548 15.999 > 65 92 O 0.61604007702832 0.64170336115054 0.57990190506548 15.999 > 65 93 O 0.38395992297168 0.35829663884946 0.42009809493452 15.999 > 69 94 O 0.88395992297168 0.35829663884946 0.42009809493452 15.999 > 69 95 O 0.38395992297168 0.85829663884946 0.42009809493452 15.999 > 69 96 O 0.88395992297168 0.85829663884946 0.42009809493452 15.999 > 69 97 O 0.19162997218279 0.14100338254444 0.91323523839882 15.999 > 49 98 O 0.69162997218279 0.14100338254444 0.91323523839882 15.999 > 49 99 O 0.19162997218279 0.64100338254444 0.91323523839882 15.999 > 49 100 O 0.69162997218279 0.64100338254444 0.91323523839882 15.999 > 49 101 O 0.30767004921111 0.28270674369498 0.75343142826785 15.999 > 53 102 O 0.80767004921111 0.28270674369498 0.75343142826785 15.999 > 53 103 O 0.30767004921111 0.78270674369498 0.75343142826785 15.999 > 53 104 O 0.80767004921111 0.78270674369498 0.75343142826785 15.999 > 53 105 O 0.47503669448388 0.19232995078889 0.75343142826785 15.999 > 57 106 O 0.97503669448388 0.19232995078889 0.75343142826785 15.999 > 57 107 O 0.47503669448388 0.69232995078889 0.75343142826785 15.999 > 57 108 O 0.97503669448388 0.69232995078889 0.75343142826785 15.999 > 57 109 O 0.35899661745556 0.05062658963835 0.91323523839882 15.999 > 61 110 O 0.85899661745556 0.05062658963835 0.91323523839882 15.999 > 61 111 O 0.35899661745556 0.55062658963835 0.91323523839882 15.999 > 61 112 O 0.85899661745556 0.55062658963835 0.91323523839882 15.999 > 61 113 O 0.44937341036165 0.30837002781721 0.91323523839882 15.999 > 65 114 O 0.94937341036165 0.30837002781721 0.91323523839882 15.999 > 65 115 O 0.44937341036165 0.80837002781721 0.91323523839882 15.999 > 65 116 O 0.94937341036165 0.80837002781721 0.91323523839882 15.999 > 65 117 O 0.21729325630502 0.02496330551612 0.75343142826785 15.999 > 69 118 O 0.71729325630502 0.02496330551612 0.75343142826785 15.999 > 69 119 O 0.21729325630502 0.52496330551612 0.75343142826785 15.999 > 69 120 O 0.71729325630502 0.52496330551612 0.75343142826785 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7009537 0.0000009 0.0000000 -0.0000009 3.7009537 0.0000000 0.0000000 0.0000000 3.6435967 -------------------------- Born effective charges -------------------------- 1 Sr 2.8480395 0.2706239 0.0000000 -0.2706239 2.8480396 -0.0000000 0.0000000 -0.0000000 2.4094131 2 Sr 2.5126686 -0.0790860 0.0000000 0.0790860 2.5126686 -0.0000000 0.0000000 -0.0000000 2.3811474 3 Sr 2.5126686 -0.0790860 0.0000000 0.0790860 2.5126686 -0.0000000 0.0000000 -0.0000000 2.3811474 4 Te 4.7411542 -0.0889837 0.0000000 0.0889837 4.7411542 -0.0000000 0.0000000 -0.0000000 5.1728761 5 O -2.4450162 -0.1016522 0.4880328 -0.0938294 -1.7598275 0.1077045 0.5200508 0.1310905 -2.0574307 6 O -2.0157706 0.3416544 -0.3372912 0.3494772 -2.1890730 0.3687966 -0.3735530 0.3848319 -2.0574307 7 O -2.4450162 -0.1016522 0.4880328 -0.0938294 -1.7598275 0.1077045 0.5200508 0.1310905 -2.0574307 8 O -2.0157706 0.3416544 -0.3372912 0.3494772 -2.1890730 0.3687966 -0.3735530 0.3848319 -2.0574307 9 O -1.8464787 -0.2517364 -0.1507416 -0.2439136 -2.3583650 -0.4765011 -0.1464977 -0.5159224 -2.0574307 10 O -1.8464787 -0.2517364 -0.1507416 -0.2439136 -2.3583650 -0.4765011 -0.1464977 -0.5159224 -2.0574307 ---------------------------------------------------------------------------- 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[ 5, 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[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000006 (yx) 0.00000006 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:19:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:19:46]------------------------- 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 3.020660000732335 1.743978864553145 4.725862363333327 b -3.020660000732329 1.743978864553145 4.725862363333327 c 0.000000000000003 -3.487957729106296 4.725862363333327 Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 2 Sr 0.26262172324131 0.26262172324131 0.26262172324131 87.620 3 Sr 0.73737827675869 0.73737827675869 0.73737827675869 87.620 4 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 5 O 0.29649518276439 0.81198205912212 0.63122847330994 15.999 6 O 0.36877152669006 0.70350481723561 0.18801794087788 15.999 7 O 0.70350481723561 0.18801794087788 0.36877152669006 15.999 8 O 0.63122847330994 0.29649518276439 0.81198205912212 15.999 9 O 0.81198205912212 0.63122847330994 0.29649518276439 15.999 10 O 0.18801794087788 0.36877152669007 0.70350481723561 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.082640002929327 0.000000000000000 0.000000000000000 b -6.041320001464664 10.463873187318882 0.000000000000000 c 0.000000000000000 0.000000000000000 14.177587089999998 Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 1 2 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 1 3 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 1 4 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 1 5 Sr 0.16666666666667 0.33333333333333 0.92928838990798 87.620 > 5 6 Sr 0.66666666666667 0.33333333333333 0.92928838990798 87.620 > 5 7 Sr 0.16666666666667 0.83333333333333 0.92928838990798 87.620 > 5 8 Sr 0.66666666666667 0.83333333333333 0.92928838990798 87.620 > 5 9 Sr 0.16666666666667 0.33333333333333 0.40404494342536 87.620 > 9 10 Sr 0.66666666666667 0.33333333333333 0.40404494342536 87.620 > 9 11 Sr 0.16666666666667 0.83333333333333 0.40404494342536 87.620 > 9 12 Sr 0.66666666666667 0.83333333333333 0.40404494342536 87.620 > 9 13 Sr 0.33333333333333 0.16666666666667 0.33333333333333 87.620 > 1 14 Sr 0.83333333333333 0.16666666666667 0.33333333333333 87.620 > 1 15 Sr 0.33333333333333 0.66666666666667 0.33333333333333 87.620 > 1 16 Sr 0.83333333333333 0.66666666666667 0.33333333333333 87.620 > 1 17 Sr 0.00000000000000 0.00000000000000 0.26262172324131 87.620 > 5 18 Sr 0.50000000000000 0.00000000000000 0.26262172324131 87.620 > 5 19 Sr 0.00000000000000 0.50000000000000 0.26262172324131 87.620 > 5 20 Sr 0.50000000000000 0.50000000000000 0.26262172324131 87.620 > 5 21 Sr 0.00000000000000 0.00000000000000 0.73737827675869 87.620 > 9 22 Sr 0.50000000000000 0.00000000000000 0.73737827675869 87.620 > 9 23 Sr 0.00000000000000 0.50000000000000 0.73737827675869 87.620 > 9 24 Sr 0.50000000000000 0.50000000000000 0.73737827675869 87.620 > 9 25 Sr 0.16666666666667 0.33333333333333 0.66666666666667 87.620 > 1 26 Sr 0.66666666666667 0.33333333333333 0.66666666666667 87.620 > 1 27 Sr 0.16666666666667 0.83333333333333 0.66666666666667 87.620 > 1 28 Sr 0.66666666666667 0.83333333333333 0.66666666666667 87.620 > 1 29 Sr 0.33333333333333 0.16666666666667 0.59595505657464 87.620 > 5 30 Sr 0.83333333333333 0.16666666666667 0.59595505657464 87.620 > 5 31 Sr 0.33333333333333 0.66666666666667 0.59595505657464 87.620 > 5 32 Sr 0.83333333333333 0.66666666666667 0.59595505657464 87.620 > 5 33 Sr 0.33333333333333 0.16666666666667 0.07071161009202 87.620 > 9 34 Sr 0.83333333333333 0.16666666666667 0.07071161009202 87.620 > 9 35 Sr 0.33333333333333 0.66666666666667 0.07071161009202 87.620 > 9 36 Sr 0.83333333333333 0.66666666666667 0.07071161009202 87.620 > 9 37 Te 0.16666666666667 0.33333333333333 0.16666666666667 127.600 > 37 38 Te 0.66666666666667 0.33333333333333 0.16666666666667 127.600 > 37 39 Te 0.16666666666667 0.83333333333333 0.16666666666667 127.600 > 37 40 Te 0.66666666666667 0.83333333333333 0.16666666666667 127.600 > 37 41 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 37 42 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 37 43 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 37 44 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 37 45 Te 0.33333333333333 0.16666666666667 0.83333333333333 127.600 > 37 46 Te 0.83333333333333 0.16666666666667 0.83333333333333 127.600 > 37 47 Te 0.33333333333333 0.66666666666667 0.83333333333333 127.600 > 37 48 Te 0.83333333333333 0.66666666666667 0.83333333333333 127.600 > 37 49 O 0.02496330551612 0.30767004921111 0.24656857173215 15.999 > 49 50 O 0.52496330551612 0.30767004921111 0.24656857173215 15.999 > 49 51 O 0.02496330551612 0.80767004921111 0.24656857173215 15.999 > 49 52 O 0.52496330551612 0.80767004921111 0.24656857173215 15.999 > 49 53 O 0.14100338254444 0.44937341036165 0.08676476160119 15.999 > 53 54 O 0.64100338254444 0.44937341036165 0.08676476160119 15.999 > 53 55 O 0.14100338254444 0.94937341036165 0.08676476160119 15.999 > 53 56 O 0.64100338254444 0.94937341036165 0.08676476160119 15.999 > 53 57 O 0.30837002781721 0.35899661745556 0.08676476160119 15.999 > 57 58 O 0.80837002781721 0.35899661745556 0.08676476160119 15.999 > 57 59 O 0.30837002781721 0.85899661745556 0.08676476160119 15.999 > 57 60 O 0.80837002781721 0.85899661745556 0.08676476160119 15.999 > 57 61 O 0.19232995078889 0.21729325630502 0.24656857173215 15.999 > 61 62 O 0.69232995078889 0.21729325630502 0.24656857173215 15.999 > 61 63 O 0.19232995078889 0.71729325630502 0.24656857173215 15.999 > 61 64 O 0.69232995078889 0.71729325630502 0.24656857173215 15.999 > 61 65 O 0.28270674369498 0.47503669448388 0.24656857173215 15.999 > 65 66 O 0.78270674369498 0.47503669448388 0.24656857173215 15.999 > 65 67 O 0.28270674369498 0.97503669448388 0.24656857173215 15.999 > 65 68 O 0.78270674369498 0.97503669448388 0.24656857173215 15.999 > 65 69 O 0.05062658963835 0.19162997218279 0.08676476160119 15.999 > 69 70 O 0.55062658963835 0.19162997218279 0.08676476160119 15.999 > 69 71 O 0.05062658963835 0.69162997218279 0.08676476160119 15.999 > 69 72 O 0.55062658963835 0.69162997218279 0.08676476160119 15.999 > 69 73 O 0.35829663884946 0.47433671587777 0.57990190506548 15.999 > 49 74 O 0.85829663884946 0.47433671587777 0.57990190506548 15.999 > 49 75 O 0.35829663884946 0.97433671587777 0.57990190506548 15.999 > 49 76 O 0.85829663884946 0.97433671587777 0.57990190506548 15.999 > 49 77 O 0.47433671587777 0.11604007702832 0.42009809493452 15.999 > 53 78 O 0.97433671587777 0.11604007702832 0.42009809493452 15.999 > 53 79 O 0.47433671587777 0.61604007702832 0.42009809493452 15.999 > 53 80 O 0.97433671587777 0.61604007702832 0.42009809493452 15.999 > 53 81 O 0.14170336115054 0.02566328412223 0.42009809493452 15.999 > 57 82 O 0.64170336115054 0.02566328412223 0.42009809493452 15.999 > 57 83 O 0.14170336115054 0.52566328412223 0.42009809493452 15.999 > 57 84 O 0.64170336115054 0.52566328412223 0.42009809493452 15.999 > 57 85 O 0.02566328412223 0.38395992297168 0.57990190506548 15.999 > 61 86 O 0.52566328412223 0.38395992297168 0.57990190506548 15.999 > 61 87 O 0.02566328412223 0.88395992297168 0.57990190506548 15.999 > 61 88 O 0.52566328412223 0.88395992297168 0.57990190506548 15.999 > 61 89 O 0.11604007702832 0.14170336115054 0.57990190506548 15.999 > 65 90 O 0.61604007702832 0.14170336115054 0.57990190506548 15.999 > 65 91 O 0.11604007702832 0.64170336115054 0.57990190506548 15.999 > 65 92 O 0.61604007702832 0.64170336115054 0.57990190506548 15.999 > 65 93 O 0.38395992297168 0.35829663884946 0.42009809493452 15.999 > 69 94 O 0.88395992297168 0.35829663884946 0.42009809493452 15.999 > 69 95 O 0.38395992297168 0.85829663884946 0.42009809493452 15.999 > 69 96 O 0.88395992297168 0.85829663884946 0.42009809493452 15.999 > 69 97 O 0.19162997218279 0.14100338254444 0.91323523839882 15.999 > 49 98 O 0.69162997218279 0.14100338254444 0.91323523839882 15.999 > 49 99 O 0.19162997218279 0.64100338254444 0.91323523839882 15.999 > 49 100 O 0.69162997218279 0.64100338254444 0.91323523839882 15.999 > 49 101 O 0.30767004921111 0.28270674369498 0.75343142826785 15.999 > 53 102 O 0.80767004921111 0.28270674369498 0.75343142826785 15.999 > 53 103 O 0.30767004921111 0.78270674369498 0.75343142826785 15.999 > 53 104 O 0.80767004921111 0.78270674369498 0.75343142826785 15.999 > 53 105 O 0.47503669448388 0.19232995078889 0.75343142826785 15.999 > 57 106 O 0.97503669448388 0.19232995078889 0.75343142826785 15.999 > 57 107 O 0.47503669448388 0.69232995078889 0.75343142826785 15.999 > 57 108 O 0.97503669448388 0.69232995078889 0.75343142826785 15.999 > 57 109 O 0.35899661745556 0.05062658963835 0.91323523839882 15.999 > 61 110 O 0.85899661745556 0.05062658963835 0.91323523839882 15.999 > 61 111 O 0.35899661745556 0.55062658963835 0.91323523839882 15.999 > 61 112 O 0.85899661745556 0.55062658963835 0.91323523839882 15.999 > 61 113 O 0.44937341036165 0.30837002781721 0.91323523839882 15.999 > 65 114 O 0.94937341036165 0.30837002781721 0.91323523839882 15.999 > 65 115 O 0.44937341036165 0.80837002781721 0.91323523839882 15.999 > 65 116 O 0.94937341036165 0.80837002781721 0.91323523839882 15.999 > 65 117 O 0.21729325630502 0.02496330551612 0.75343142826785 15.999 > 69 118 O 0.71729325630502 0.02496330551612 0.75343142826785 15.999 > 69 119 O 0.21729325630502 0.52496330551612 0.75343142826785 15.999 > 69 120 O 0.71729325630502 0.52496330551612 0.75343142826785 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7009537 0.0000009 0.0000000 -0.0000009 3.7009537 0.0000000 0.0000000 0.0000000 3.6435967 -------------------------- Born effective charges -------------------------- 1 Sr 2.8480395 0.2706239 0.0000000 -0.2706239 2.8480396 -0.0000000 0.0000000 -0.0000000 2.4094131 2 Sr 2.5126686 -0.0790860 0.0000000 0.0790860 2.5126686 -0.0000000 0.0000000 -0.0000000 2.3811474 3 Sr 2.5126686 -0.0790860 0.0000000 0.0790860 2.5126686 -0.0000000 0.0000000 -0.0000000 2.3811474 4 Te 4.7411542 -0.0889837 0.0000000 0.0889837 4.7411542 -0.0000000 0.0000000 -0.0000000 5.1728761 5 O -2.4450162 -0.1016522 0.4880328 -0.0938294 -1.7598275 0.1077045 0.5200508 0.1310905 -2.0574307 6 O -2.0157706 0.3416544 -0.3372912 0.3494772 -2.1890730 0.3687966 -0.3735530 0.3848319 -2.0574307 7 O -2.4450162 -0.1016522 0.4880328 -0.0938294 -1.7598275 0.1077045 0.5200508 0.1310905 -2.0574307 8 O -2.0157706 0.3416544 -0.3372912 0.3494772 -2.1890730 0.3687966 -0.3735530 0.3848319 -2.0574307 9 O -1.8464787 -0.2517364 -0.1507416 -0.2439136 -2.3583650 -0.4765011 -0.1464977 -0.5159224 -2.0574307 10 O -1.8464787 -0.2517364 -0.1507416 -0.2439136 -2.3583650 -0.4765011 -0.1464977 -0.5159224 -2.0574307 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] 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: 0.78, Number of G-points: 307, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/172) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 3.264 ( 0.000 0.000 0.000) 0.000 4.334 ( 0.000 0.000 0.000) 0.000 4.334 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 0.000 0.000) 0.000 5.246 ( 0.000 0.000 0.000) 0.000 5.246 ( 0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 0.000) 0.000 7.450 ( 0.000 0.000 0.000) 0.000 7.525 ( 0.000 0.000 0.000) 0.000 7.525 ( 0.000 0.000 0.000) 0.000 9.547 ( 0.000 0.000 0.000) 0.000 10.818 ( 0.000 0.000 0.000) 0.000 11.231 ( 0.000 0.000 0.000) 0.000 11.462 ( 0.000 0.000 0.000) 0.000 11.462 ( 0.000 0.000 0.000) 0.000 12.276 ( 0.000 0.000 0.000) 0.000 12.276 ( 0.000 0.000 0.000) 0.000 17.636 ( 0.000 0.000 0.000) 0.000 17.636 ( 0.000 0.000 0.000) 0.000 18.491 ( 0.000 0.000 0.000) 0.000 18.593 ( 0.000 0.000 0.000) 0.000 18.593 ( 0.000 0.000 0.000) 0.000 21.091 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/172) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 11.837 22.898 23.253) 34.715 0.684 ( 27.753 8.381 16.207) 33.213 1.067 ( 47.041 22.658 2.645) 52.280 2.657 ( -7.469 -1.018 -6.036) 9.657 2.781 ( 2.744 -3.522 4.370) 6.247 3.120 ( 0.758 0.475 -4.695) 4.780 3.448 ( -5.321 -1.607 27.600) 28.154 4.326 ( -1.410 -7.977 2.047) 8.355 4.446 ( -16.542 -3.064 -6.439) 18.013 5.015 ( -10.844 -4.832 23.623) 26.438 5.155 ( -5.271 -7.004 -1.086) 8.833 5.249 ( -0.801 2.136 -1.681) 2.834 5.748 ( 2.977 2.510 -3.541) 5.263 6.797 ( -0.361 -1.412 -2.477) 2.874 7.408 ( -1.947 -0.877 -1.728) 2.747 7.578 ( 4.940 0.908 0.150) 5.025 7.661 ( 6.328 4.780 0.709) 7.962 9.522 ( -3.087 -1.882 2.116) 4.189 10.857 ( -3.880 -1.043 8.157) 9.093 11.222 ( -2.138 -1.282 3.991) 4.705 11.474 ( 1.050 0.918 -0.123) 1.401 12.261 ( -1.315 -0.188 -0.936) 1.626 12.339 ( 6.177 2.304 -0.238) 6.597 13.642 ( 7.328 3.990 -20.990) 22.588 17.584 ( -4.561 -2.968 1.048) 5.542 17.647 ( -0.161 3.149 -0.697) 3.229 18.539 ( 2.224 0.462 3.255) 3.969 18.615 ( 2.267 0.296 0.270) 2.302 21.039 ( -1.000 -0.990 -1.540) 2.086 21.097 ( 0.786 0.383 -1.155) 1.449 ======================= Grid point 2 (3/172) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 8.789 13.181 22.260) 27.322 1.282 ( 20.538 7.793 16.563) 27.511 1.956 ( 34.982 17.799 -3.826) 39.436 2.463 ( -8.462 3.158 -9.915) 13.412 2.767 ( -2.111 -3.081 -4.042) 5.503 3.247 ( 12.182 5.914 4.575) 14.293 3.567 ( 4.199 0.850 10.346) 11.198 3.855 ( -21.214 -19.074 -6.559) 29.273 4.376 ( -4.019 1.773 7.741) 8.900 4.831 ( -11.894 -15.859 6.595) 20.893 5.008 ( -10.994 2.409 5.129) 12.369 5.236 ( -2.098 0.164 1.906) 2.840 5.811 ( 4.536 3.526 -5.162) 7.723 6.707 ( -5.625 -6.559 0.784) 8.676 7.358 ( -1.301 -0.608 -3.093) 3.410 7.674 ( 4.906 1.220 -1.340) 5.230 7.855 ( 8.955 6.113 2.784) 11.194 9.456 ( -4.006 -2.566 3.033) 5.642 10.838 ( -1.373 1.351 -1.117) 2.227 11.189 ( -3.987 -2.642 6.195) 7.827 11.513 ( 2.170 1.893 -0.256) 2.891 12.217 ( -2.387 -0.548 -1.574) 2.911 12.506 ( 9.966 3.761 0.190) 10.654 13.653 ( 3.237 1.594 -8.713) 9.430 17.464 ( -6.264 -4.318 1.387) 7.734 17.682 ( 0.292 5.140 -1.210) 5.288 18.614 ( 3.363 0.951 2.090) 4.072 18.670 ( 3.366 0.300 0.561) 3.426 20.992 ( -2.036 -1.708 -0.385) 2.685 21.103 ( 0.514 0.102 -1.164) 1.277 ======================= Grid point 3 (4/172) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 2.127 2.599 17.005) 17.334 1.704 ( 6.314 6.221 14.977) 17.404 2.304 ( -6.183 1.056 -9.737) 11.582 2.460 ( 10.228 13.516 -5.808) 17.917 2.650 ( -0.534 -2.477 -9.040) 9.388 3.210 ( -9.982 -8.833 -1.953) 13.471 3.690 ( 9.194 4.791 -6.094) 12.026 3.908 ( 27.882 -0.523 17.138) 32.732 4.342 ( -14.786 6.555 6.320) 17.365 4.523 ( -6.058 -14.350 3.991) 16.080 4.888 ( -8.494 0.952 2.948) 9.041 5.203 ( -4.150 -0.784 3.903) 5.750 5.879 ( 3.851 3.106 -4.904) 6.966 6.491 ( -11.896 -10.384 2.092) 15.929 7.306 ( -1.241 -0.819 -3.623) 3.916 7.729 ( 2.563 0.602 -2.747) 3.805 8.086 ( 8.884 5.178 2.920) 10.690 9.395 ( -3.150 -2.249 3.641) 5.314 10.827 ( 0.077 2.919 -4.391) 5.273 11.130 ( -4.683 -3.596 6.399) 8.707 11.575 ( 2.848 2.334 -0.248) 3.691 12.153 ( -2.866 -0.961 -1.663) 3.450 12.720 ( 10.271 3.937 0.791) 11.029 13.651 ( 0.861 0.417 -4.385) 4.489 17.332 ( -5.472 -3.978 1.125) 6.858 17.734 ( 0.975 5.220 -1.342) 5.477 18.686 ( 2.404 0.798 1.711) 3.057 18.731 ( 3.072 0.021 0.753) 3.163 20.940 ( -2.011 -1.512 -0.098) 2.517 21.099 ( 0.043 -0.273 -1.112) 1.145 ======================= Grid point 4 (5/172) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -20.073 -2.076 1.281) 20.220 1.793 ( 0.906 -6.370 10.904) 12.661 2.161 ( -4.538 3.774 -2.250) 6.317 2.564 ( -0.022 -1.760 -4.366) 4.707 2.613 ( 1.990 8.311 -4.128) 9.491 3.268 ( 18.944 -2.467 -0.624) 19.114 3.830 ( 3.924 7.090 -6.606) 10.454 4.026 ( -20.147 -2.544 4.300) 20.757 4.333 ( 8.364 -13.929 10.543) 19.368 4.626 ( 9.107 9.857 2.811) 13.711 4.854 ( 5.303 7.560 2.499) 9.566 5.147 ( -3.673 -1.027 2.407) 4.510 5.919 ( 2.011 0.510 -3.677) 4.222 6.160 ( -16.061 -10.669 1.925) 19.378 7.256 ( -1.023 -0.675 -2.473) 2.760 7.742 ( 1.013 0.098 -2.138) 2.368 8.261 ( 5.217 2.734 1.569) 6.095 9.363 ( -1.445 -1.259 2.617) 3.244 10.834 ( 0.812 3.093 -4.136) 5.228 11.065 ( -3.557 -3.253 4.684) 6.721 11.639 ( 2.298 1.756 -0.097) 2.894 12.089 ( -2.224 -0.943 -1.101) 2.655 12.907 ( 6.896 2.678 0.825) 7.444 13.630 ( -0.568 -0.214 -2.059) 2.147 17.234 ( -3.126 -2.350 0.593) 3.956 17.786 ( 0.961 3.280 -0.916) 3.539 18.730 ( 1.038 0.410 1.060) 1.539 18.776 ( 1.775 -0.121 0.562) 1.865 20.901 ( -1.188 -0.781 0.017) 1.421 21.086 ( -0.192 -0.372 -0.764) 0.872 ======================= Grid point 5 (6/172) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 0.000 0.000 0.000) 0.000 1.834 ( 0.000 0.000 0.000) 0.000 2.136 ( 0.000 -0.000 0.000) 0.000 2.536 ( 0.000 -0.000 0.000) 0.000 2.665 ( -0.000 0.000 -0.000) 0.000 3.606 ( 0.000 -0.000 0.000) 0.000 3.620 ( -0.000 0.000 -0.000) 0.000 3.936 ( 0.000 0.000 0.000) 0.000 4.352 ( 0.000 -0.000 0.000) 0.000 4.680 ( 0.000 0.000 -0.000) 0.000 5.112 ( 0.000 -0.000 -0.000) 0.000 5.134 ( -0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 5.977 ( 0.000 0.000 0.000) 0.000 7.234 ( 0.000 0.000 -0.000) 0.000 7.743 ( 0.000 0.000 0.000) 0.000 8.323 ( 0.000 0.000 0.000) 0.000 9.356 ( 0.000 0.000 0.000) 0.000 10.844 ( 0.000 0.000 0.000) 0.000 11.033 ( 0.000 0.000 0.000) 0.000 11.669 ( 0.000 0.000 0.000) 0.000 12.060 ( 0.000 0.000 0.000) 0.000 12.985 ( 0.000 -0.000 -0.000) 0.000 13.613 ( 0.000 0.000 0.000) 0.000 17.198 ( 0.000 0.000 0.000) 0.000 17.807 ( 0.000 0.000 0.000) 0.000 18.744 ( 0.000 0.000 0.000) 0.000 18.793 ( 0.000 0.000 0.000) 0.000 20.888 ( 0.000 0.000 0.000) 0.000 21.079 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/172) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 6.049 21.842 4.563) 23.119 0.700 ( 2.438 14.748 27.136) 30.980 1.341 ( -4.191 46.847 23.671) 52.655 2.643 ( -2.551 -5.710 -6.019) 8.680 2.721 ( 0.813 -4.207 2.536) 4.979 3.078 ( 0.612 -0.723 -4.924) 5.015 3.664 ( 1.792 -14.350 21.153) 25.625 4.320 ( -4.591 -4.285 2.619) 6.805 4.618 ( 2.513 0.140 0.551) 2.576 4.967 ( -0.574 -24.656 13.273) 28.007 5.108 ( 3.745 -8.603 -3.777) 10.114 5.361 ( -3.753 -2.785 11.264) 12.195 5.833 ( 2.690 5.790 4.251) 7.670 6.632 ( -2.305 -5.301 -13.906) 15.059 7.412 ( 0.388 -0.201 -1.783) 1.836 7.590 ( -3.844 4.879 0.684) 6.249 7.641 ( 2.928 6.741 1.589) 7.519 9.544 ( -0.166 -3.735 3.460) 5.094 10.943 ( 1.654 -10.823 10.922) 15.465 11.267 ( -0.049 -2.435 7.624) 8.004 11.494 ( 0.187 2.185 1.703) 2.777 12.266 ( 0.538 -0.647 -0.470) 0.964 12.325 ( -1.448 6.049 -1.403) 6.376 13.447 ( -0.227 19.285 -26.508) 32.782 17.631 ( 0.188 -0.458 0.423) 0.652 17.666 ( 3.151 1.649 2.234) 4.200 18.532 ( -0.225 -1.471 2.555) 2.957 18.615 ( -1.759 2.064 0.116) 2.714 21.002 ( -0.606 -1.592 -3.395) 3.798 21.092 ( -0.029 0.378 -0.436) 0.578 ======================= Grid point 13 (8/172) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 21.608 1.289 22.508) 31.228 1.173 ( 18.973 14.686 10.209) 26.074 1.900 ( 6.185 37.801 9.708) 39.515 2.476 ( -2.600 -0.319 -11.190) 11.493 2.743 ( -0.431 -4.226 1.671) 4.564 3.154 ( 9.423 5.776 6.376) 12.760 3.642 ( -3.457 -3.762 7.662) 9.209 4.045 ( -21.868 -14.623 -2.185) 26.397 4.519 ( -6.974 2.010 5.705) 9.231 4.786 ( -2.857 -21.317 5.978) 22.323 5.166 ( 8.500 -6.642 -2.027) 10.976 5.310 ( -9.319 -2.361 14.126) 17.087 5.825 ( -7.374 6.785 -2.478) 10.322 6.540 ( 9.388 -13.840 -10.239) 19.609 7.369 ( -2.875 0.155 -3.271) 4.358 7.646 ( 1.817 5.974 0.311) 6.252 7.810 ( 6.598 7.162 3.822) 10.461 9.507 ( -2.615 -4.079 4.240) 6.439 10.900 ( -3.202 -2.536 3.015) 5.077 11.271 ( -2.995 -3.165 8.193) 9.280 11.522 ( -0.495 2.837 1.546) 3.268 12.251 ( -1.932 -0.057 -0.816) 2.098 12.412 ( 5.806 7.256 -1.356) 9.391 13.512 ( 6.525 7.151 -13.990) 17.013 17.561 ( -6.861 -2.782 3.300) 8.106 17.754 ( 0.178 7.024 0.936) 7.088 18.567 ( 3.388 -0.945 2.261) 4.181 18.636 ( 1.856 2.684 -0.660) 3.329 20.951 ( 0.686 -5.064 -2.855) 5.854 21.092 ( 0.137 0.324 -0.974) 1.035 ======================= Grid point 14 (9/172) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 8.562 -5.116 21.331) 23.548 1.693 ( 20.078 7.713 5.786) 22.273 2.291 ( 0.706 9.068 -0.157) 9.097 2.467 ( 5.528 22.405 -14.335) 27.167 2.653 ( -6.106 -1.711 2.468) 6.804 3.384 ( -22.582 -15.211 -2.749) 27.366 3.599 ( 13.744 9.261 11.292) 20.054 3.648 ( 5.245 -4.712 4.277) 8.246 4.518 ( -3.251 -6.457 8.106) 10.862 4.572 ( -6.142 -2.445 0.089) 6.612 5.100 ( -10.687 -4.533 4.572) 12.476 5.256 ( -1.945 -4.260 6.546) 8.049 5.777 ( 2.831 -1.063 -7.123) 7.739 6.469 ( 1.678 -12.287 -2.823) 12.718 7.294 ( -2.372 -0.302 -4.586) 5.172 7.721 ( 0.534 5.637 -1.205) 5.789 8.027 ( 7.571 5.944 4.557) 10.650 9.451 ( -3.181 -3.760 4.675) 6.791 10.854 ( -2.337 1.345 -1.035) 2.888 11.225 ( -4.984 -3.544 7.017) 9.308 11.562 ( 1.206 2.775 0.666) 3.098 12.195 ( -3.648 0.096 -1.307) 3.877 12.612 ( 9.395 7.095 0.640) 11.790 13.571 ( 4.306 2.094 -7.672) 9.043 17.430 ( -8.050 -3.188 4.130) 9.593 17.818 ( -2.208 9.747 -0.583) 10.011 18.640 ( 4.353 -1.972 3.279) 5.796 18.703 ( 2.473 3.430 -0.328) 4.241 20.890 ( 1.511 -6.627 -3.068) 7.457 21.087 ( 0.055 -0.056 -1.362) 1.364 ======================= Grid point 15 (10/172) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -1.897 -1.004 4.735) 5.199 1.887 ( -7.847 -6.011 6.074) 11.602 2.219 ( -0.153 1.626 -7.882) 8.050 2.586 ( -5.720 -0.576 8.177) 9.996 2.691 ( 0.227 14.292 -0.767) 14.315 3.018 ( 1.890 -4.695 -2.155) 5.501 3.732 ( 8.377 4.250 -4.293) 10.328 4.065 ( 18.138 -6.446 13.962) 23.779 4.279 ( -12.855 -7.218 -1.207) 14.792 4.663 ( 2.251 10.219 2.658) 10.797 4.927 ( -5.935 1.572 1.461) 6.311 5.209 ( -3.136 -4.305 4.012) 6.668 5.781 ( 6.887 -7.445 -4.618) 11.144 6.302 ( -9.470 -8.047 1.114) 12.477 7.231 ( -0.642 -0.519 -4.376) 4.454 7.760 ( -0.895 5.531 -1.143) 5.719 8.214 ( 5.775 3.143 3.613) 7.503 9.401 ( -2.547 -2.895 3.784) 5.402 10.836 ( -0.595 2.494 -2.400) 3.513 11.147 ( -5.445 -3.057 5.158) 8.100 11.619 ( 2.102 2.243 0.135) 3.077 12.124 ( -3.519 -0.361 -0.860) 3.641 12.837 ( 7.994 6.329 2.108) 10.412 13.586 ( 2.046 -0.319 -4.890) 5.310 17.310 ( -6.483 -1.812 3.693) 7.678 17.859 ( -3.102 9.260 -1.124) 9.830 18.709 ( 3.291 -2.254 3.480) 5.294 18.764 ( 0.920 2.928 0.559) 3.119 20.838 ( 2.836 -6.743 -3.604) 8.155 21.077 ( 0.101 -0.172 -1.316) 1.331 ======================= Grid point 16 (11/172) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -19.974 -1.957 -7.137) 21.301 1.852 ( 0.393 -3.131 10.319) 10.791 2.158 ( -4.251 3.090 -8.561) 10.046 2.572 ( -0.533 -5.053 7.992) 9.471 2.768 ( -5.636 8.624 5.641) 11.745 3.188 ( 19.632 -4.114 -1.164) 20.092 3.878 ( 1.268 4.469 -5.307) 7.053 3.962 ( -12.598 -4.471 -0.177) 13.369 4.263 ( 8.017 -8.199 8.069) 14.022 4.699 ( -1.126 3.442 -5.268) 6.393 5.028 ( 4.255 0.209 -4.372) 6.104 5.196 ( 0.908 4.998 5.171) 7.249 5.787 ( 4.822 -6.255 -0.674) 7.927 6.057 ( -11.300 -3.732 1.423) 11.986 7.208 ( 1.256 -0.162 -2.381) 2.697 7.789 ( -1.646 5.647 0.571) 5.910 8.315 ( 1.895 0.075 2.152) 2.868 9.366 ( -1.403 -1.614 1.519) 2.623 10.841 ( 0.351 1.112 -1.084) 1.592 11.073 ( -3.980 -0.976 2.305) 4.702 11.664 ( 0.984 1.067 -0.187) 1.463 12.073 ( -1.603 -0.211 0.291) 1.643 12.996 ( 2.198 4.358 2.345) 5.414 13.576 ( 1.924 -1.430 -3.310) 4.088 17.241 ( -3.612 0.350 2.929) 4.664 17.872 ( -3.996 6.687 -0.550) 7.810 18.748 ( 0.892 -1.409 2.522) 3.024 18.794 ( -0.233 1.104 0.931) 1.463 20.809 ( 4.303 -5.797 -3.953) 8.231 21.073 ( 0.482 0.172 -0.698) 0.865 ======================= Grid point 17 (12/172) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 7.311 6.096 -0.686) 9.544 1.852 ( -4.360 3.186 -1.765) 5.681 2.083 ( 0.696 1.421 -5.010) 5.254 2.579 ( 0.647 -7.642 11.328) 13.680 2.739 ( -9.321 3.392 6.246) 11.722 3.475 ( 16.916 -10.648 -2.152) 20.104 3.586 ( -9.531 -2.548 -3.572) 10.492 3.968 ( -2.024 2.125 0.879) 3.063 4.380 ( 6.372 2.546 1.394) 7.002 4.695 ( -1.210 5.618 -6.563) 8.723 4.915 ( -10.516 -5.477 -7.571) 14.068 5.143 ( -7.997 -4.471 2.321) 9.452 5.906 ( 5.453 -2.488 3.682) 7.034 5.987 ( 8.966 5.268 -2.955) 10.810 7.236 ( 2.749 0.484 0.137) 2.794 7.818 ( -2.674 5.308 2.301) 6.373 8.302 ( -3.163 -2.723 0.502) 4.204 9.345 ( -0.188 -0.193 -0.994) 1.030 10.849 ( 0.008 -1.902 3.478) 3.964 11.040 ( -0.657 2.300 -2.452) 3.425 11.660 ( -1.597 -0.398 -0.382) 1.690 12.079 ( 1.208 0.725 1.487) 2.049 13.003 ( -5.763 0.925 0.905) 5.907 13.594 ( 3.568 -0.917 -1.208) 3.877 17.240 ( -0.296 2.302 2.080) 3.116 17.845 ( -5.168 3.402 0.817) 6.241 18.745 ( -1.454 -0.507 0.591) 1.649 18.794 ( -0.683 -0.711 0.777) 1.256 20.816 ( 5.423 -4.047 -3.619) 7.674 21.086 ( 0.777 0.533 0.072) 0.945 ======================= Grid point 18 (13/172) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 1.116 -3.358 -8.384) 9.100 1.766 ( -7.988 7.362 -9.169) 14.216 2.198 ( 9.042 -1.161 7.005) 11.496 2.553 ( -4.229 -3.685 5.458) 7.826 2.726 ( 0.117 1.591 11.245) 11.357 3.262 ( -8.469 -3.421 -1.378) 9.237 3.755 ( 13.694 -13.912 2.676) 19.703 3.944 ( 2.901 2.744 -6.358) 7.508 4.332 ( -32.527 -1.809 -9.533) 33.943 4.554 ( 4.959 13.717 -1.744) 14.690 4.780 ( 3.242 -0.260 -2.457) 4.076 5.097 ( 4.040 -2.067 -2.055) 4.982 5.907 ( -0.490 -6.436 6.916) 9.460 6.285 ( 17.273 6.679 -7.270) 19.895 7.300 ( 2.926 0.978 1.727) 3.536 7.826 ( -4.217 4.137 2.767) 6.523 8.167 ( -8.134 -4.919 -1.241) 9.586 9.348 ( 1.704 0.883 -2.170) 2.897 10.857 ( -0.968 -2.593 7.148) 7.665 11.055 ( 2.711 3.235 -5.860) 7.222 11.609 ( -3.104 -0.813 -0.225) 3.216 12.136 ( 2.513 1.329 1.953) 3.449 12.860 ( -10.347 -1.745 -0.573) 10.509 13.645 ( 3.042 -0.444 0.686) 3.150 17.300 ( 2.806 2.970 1.266) 4.278 17.786 ( -5.646 1.358 2.342) 6.262 18.702 ( -2.409 -1.320 -1.000) 2.924 18.769 ( -1.841 -0.785 -0.006) 2.002 20.859 ( 5.849 -2.063 -2.679) 6.756 21.105 ( 0.529 0.514 0.483) 0.881 ======================= Grid point 19 (14/172) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -11.697 -7.581 -11.223) 17.895 1.534 ( -19.840 2.818 -8.220) 21.660 2.280 ( -2.838 -6.976 7.052) 10.318 2.459 ( -10.742 1.526 3.430) 11.379 2.814 ( -1.908 0.166 9.623) 9.812 3.254 ( 3.832 -3.683 -2.744) 5.982 3.666 ( -14.258 -1.832 -5.045) 15.235 3.870 ( 0.667 4.630 -0.056) 4.678 4.097 ( 13.938 -3.525 -5.471) 15.382 4.693 ( 2.850 2.698 -4.544) 6.004 4.910 ( 9.148 8.899 0.017) 12.762 5.155 ( 5.049 -0.557 -1.388) 5.266 5.876 ( -2.495 -4.458 6.230) 8.057 6.535 ( 13.994 1.672 -6.990) 15.732 7.363 ( 1.786 1.036 1.694) 2.671 7.787 ( -6.280 2.269 1.249) 6.793 7.947 ( -10.341 -4.913 -1.514) 11.548 9.390 ( 3.767 1.051 -1.617) 4.232 10.862 ( -1.891 -1.138 5.684) 6.097 11.103 ( 4.415 1.728 -4.514) 6.546 11.550 ( -3.206 -0.098 0.033) 3.208 12.203 ( 2.325 1.328 1.631) 3.135 12.647 ( -11.289 -2.508 -1.231) 11.630 13.688 ( 1.557 -0.378 1.742) 2.367 17.397 ( 5.215 1.436 0.716) 5.456 17.731 ( -5.002 1.912 3.492) 6.393 18.630 ( -2.731 -2.609 -1.693) 4.139 18.720 ( -3.091 -0.060 -0.919) 3.225 20.926 ( 5.324 -0.581 -1.572) 5.582 21.116 ( -0.073 0.222 0.397) 0.461 ======================= Grid point 20 (15/172) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -17.974 6.019 1.297) 18.999 1.079 ( -29.449 -4.185 2.073) 29.817 1.797 ( -44.715 0.980 -2.886) 44.819 2.556 ( 7.967 5.224 4.759) 10.650 2.778 ( -3.434 -4.256 -2.502) 6.014 3.149 ( -2.176 -0.813 -2.125) 3.148 3.460 ( -8.926 -0.251 1.011) 8.987 4.159 ( 20.952 -4.571 -9.762) 23.562 4.302 ( 11.379 4.028 10.171) 15.785 4.731 ( 7.843 -0.350 -3.098) 8.440 5.111 ( 6.726 -4.378 4.854) 9.379 5.229 ( 2.780 6.243 -3.359) 7.614 5.827 ( -3.901 -1.130 1.951) 4.506 6.694 ( 9.153 -0.045 -2.544) 9.500 7.399 ( 1.027 0.225 0.095) 1.055 7.670 ( -7.411 -0.451 -2.336) 7.784 7.763 ( -8.690 0.221 1.741) 8.865 9.460 ( 4.365 0.047 -0.207) 4.370 10.850 ( -1.927 -0.273 2.015) 2.802 11.164 ( 3.866 0.011 -0.285) 3.876 11.505 ( -2.556 0.545 0.024) 2.614 12.253 ( 1.496 0.306 0.585) 1.635 12.446 ( -9.343 -0.600 -1.246) 9.445 13.714 ( 0.801 0.063 -0.359) 0.880 17.499 ( 6.286 -1.210 0.582) 6.428 17.704 ( -3.927 1.785 3.046) 5.280 18.553 ( -2.543 -1.133 -0.825) 2.904 18.657 ( -3.462 0.405 -1.221) 3.693 20.994 ( 3.967 0.094 -0.544) 4.005 21.112 ( -0.542 0.025 -0.221) 0.586 ======================= Grid point 22 (16/172) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -21.781 7.048 11.902) 25.802 1.165 ( -19.637 14.418 16.442) 29.391 2.006 ( -7.870 36.539 13.943) 39.893 2.450 ( 11.314 -6.073 -3.516) 13.314 2.708 ( -1.155 -5.624 -7.688) 9.595 3.135 ( -9.300 4.403 2.486) 10.585 3.625 ( 0.696 -2.884 6.472) 7.119 4.171 ( 20.238 -9.242 -1.983) 22.336 4.473 ( 6.988 -3.173 14.244) 16.180 4.885 ( -2.344 -17.440 8.820) 19.683 5.018 ( -1.940 -7.216 -4.720) 8.838 5.363 ( 9.597 -1.852 10.309) 14.206 5.752 ( 4.840 2.923 -4.973) 7.530 6.635 ( -9.665 -9.281 -7.112) 15.170 7.370 ( 2.630 0.744 -2.881) 3.971 7.687 ( -0.444 7.074 -1.366) 7.218 7.776 ( -7.980 5.827 4.857) 11.010 9.514 ( 2.441 -3.707 4.428) 6.269 10.847 ( 4.154 -4.592 2.410) 6.645 11.276 ( 2.774 -2.866 8.334) 9.239 11.523 ( 0.765 3.825 1.770) 4.284 12.228 ( 2.278 -0.720 -1.765) 2.970 12.455 ( -6.524 7.739 -0.112) 10.123 13.519 ( -6.632 7.470 -14.164) 17.332 17.575 ( 6.730 -1.256 5.949) 9.070 17.649 ( 1.340 2.902 -1.778) 3.658 18.569 ( -3.480 0.296 0.203) 3.498 18.683 ( -2.493 2.465 1.100) 3.674 20.967 ( -0.822 -4.570 -2.721) 5.382 21.096 ( -0.276 0.691 -1.035) 1.274 ======================= Grid point 23 (17/172) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 6.028 20.617 2.669) 21.646 1.284 ( -1.243 6.100 25.461) 26.211 2.258 ( -3.362 25.302 1.789) 25.587 2.447 ( -2.404 -0.876 -10.700) 11.002 2.718 ( 4.235 -1.933 6.016) 7.607 3.185 ( 2.266 12.717 10.862) 16.877 3.628 ( 2.554 -6.997 2.626) 7.898 4.203 ( -7.817 -11.110 0.942) 13.617 4.632 ( 2.568 -6.947 9.805) 12.288 4.665 ( -5.253 -14.685 0.673) 15.611 4.897 ( 5.780 -7.811 -2.146) 9.951 5.446 ( -1.602 -6.200 12.632) 14.163 5.982 ( 15.700 1.565 -0.105) 15.778 6.193 ( -16.426 -13.247 -15.771) 26.344 7.380 ( -0.298 0.703 -3.944) 4.017 7.737 ( -2.714 8.417 1.756) 9.017 7.835 ( 2.633 7.622 5.366) 9.686 9.521 ( -0.429 -4.705 4.632) 6.616 10.878 ( 2.704 -4.837 1.672) 5.788 11.330 ( -0.306 -3.407 8.499) 9.162 11.594 ( -0.767 4.408 3.318) 5.570 12.240 ( 1.358 -1.196 -0.673) 1.931 12.456 ( -1.835 9.326 -1.394) 9.607 13.447 ( -0.310 9.097 -11.786) 14.892 17.648 ( -2.483 1.597 0.617) 3.016 17.779 ( 6.520 4.428 6.524) 10.232 18.541 ( 0.028 0.574 -0.013) 0.574 18.663 ( -1.887 2.638 -0.110) 3.245 20.864 ( -0.823 -8.178 -3.728) 9.026 21.090 ( -0.247 0.529 -1.302) 1.427 ======================= Grid point 24 (18/172) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 14.128 6.642 15.018) 21.662 1.508 ( 8.054 6.279 10.297) 14.503 2.338 ( -2.904 1.278 -10.104) 10.591 2.495 ( 6.520 23.213 -7.245) 25.176 2.782 ( 0.226 2.036 8.869) 9.103 3.408 ( 2.528 -8.070 9.457) 12.686 3.699 ( 3.138 10.059 8.284) 13.403 3.731 ( -25.185 -13.259 -2.633) 28.584 4.499 ( -2.021 -14.320 2.686) 14.710 4.647 ( -0.500 4.419 1.420) 4.669 5.005 ( 12.157 -7.520 2.769) 14.561 5.383 ( -9.305 -13.226 14.322) 21.601 5.720 ( -9.081 -7.174 -18.120) 21.500 6.215 ( 12.677 -3.641 -1.148) 13.239 7.321 ( -3.560 0.424 -3.607) 5.086 7.796 ( -1.534 7.992 1.184) 8.223 8.017 ( 5.241 6.701 5.311) 10.029 9.487 ( -1.943 -4.722 4.612) 6.880 10.871 ( 0.133 -2.142 -0.053) 2.146 11.317 ( -3.704 -3.194 6.589) 8.206 11.619 ( -2.840 3.877 2.794) 5.560 12.231 ( -1.180 -0.892 -0.637) 1.611 12.571 ( 5.257 9.799 -0.044) 11.120 13.480 ( 3.161 5.126 -7.758) 9.821 17.575 ( -7.753 -0.579 3.377) 8.476 17.947 ( 0.299 9.751 3.930) 10.518 18.575 ( 3.171 -0.623 1.103) 3.415 18.701 ( 2.302 4.505 0.033) 5.059 20.745 ( 1.606 -11.358 -4.747) 12.414 21.078 ( -0.242 0.106 -1.602) 1.624 ======================= Grid point 25 (19/172) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 2.176 1.219 9.803) 10.115 1.875 ( 13.086 7.576 5.974) 16.258 2.162 ( -7.332 -3.710 -11.292) 13.965 2.748 ( 0.719 8.072 1.591) 8.259 2.899 ( -4.468 8.828 7.850) 12.630 3.051 ( -14.026 -10.069 -1.143) 17.304 3.559 ( 8.071 -4.933 0.620) 9.479 3.934 ( 5.563 4.907 9.355) 11.939 4.346 ( -5.336 -6.416 -1.855) 8.549 4.700 ( 2.083 0.257 -0.492) 2.156 5.057 ( -11.214 -9.365 -0.194) 14.611 5.181 ( 6.516 -2.965 3.854) 8.130 5.558 ( 3.812 -8.005 -3.087) 9.388 6.308 ( 2.247 -3.032 -0.002) 3.775 7.241 ( -3.593 0.692 -2.643) 4.514 7.846 ( -1.897 7.808 0.053) 8.036 8.186 ( 4.782 3.556 4.339) 7.371 9.437 ( -2.421 -4.026 3.847) 6.072 10.852 ( -0.585 -0.042 -0.952) 1.119 11.249 ( -5.558 -2.420 4.529) 7.567 11.634 ( -0.915 3.034 1.544) 3.525 12.177 ( -3.526 -0.480 -0.829) 3.654 12.790 ( 8.431 8.704 2.444) 12.362 13.512 ( 2.190 1.238 -5.572) 6.114 17.456 ( -8.613 -0.527 4.504) 9.734 18.029 ( -4.593 12.213 0.556) 13.060 18.640 ( 4.494 -2.822 3.242) 6.219 18.794 ( 1.588 5.488 1.144) 5.826 20.643 ( 4.784 -12.636 -5.960) 14.767 21.064 ( -0.003 -0.032 -1.596) 1.596 ======================= Grid point 26 (20/172) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -17.758 4.066 -10.101) 20.831 1.917 ( -3.987 -5.458 12.183) 13.932 2.166 ( 4.621 3.893 -0.573) 6.069 2.549 ( -5.548 -9.849 1.254) 11.374 2.952 ( 2.641 3.508 -1.374) 4.601 3.068 ( -5.008 6.738 10.310) 13.295 3.736 ( 12.634 1.950 -0.719) 12.804 4.093 ( 6.865 -5.870 3.108) 9.553 4.125 ( -11.120 -4.647 -2.587) 12.326 4.669 ( 0.452 -3.462 -6.238) 7.149 4.915 ( 5.318 -4.132 -3.471) 7.576 5.270 ( -1.384 4.015 2.104) 4.740 5.615 ( 8.923 -4.583 5.032) 11.223 6.217 ( -9.272 -3.071 -0.406) 9.776 7.192 ( -1.312 1.020 -1.567) 2.284 7.892 ( -1.816 8.170 0.429) 8.381 8.294 ( 2.826 0.014 3.068) 4.171 9.388 ( -2.099 -2.719 2.172) 4.064 10.840 ( -0.126 0.165 -0.884) 0.909 11.163 ( -5.563 -0.911 2.586) 6.202 11.665 ( 0.371 2.122 0.584) 2.232 12.110 ( -3.021 -0.483 -0.084) 3.061 13.016 ( 5.644 7.411 4.081) 10.170 13.496 ( 1.323 -1.955 -5.130) 5.647 17.359 ( -6.679 0.810 4.101) 7.880 18.047 ( -6.698 11.249 -0.560) 13.104 18.706 ( 3.769 -3.471 3.929) 6.456 18.847 ( -1.867 3.468 1.570) 4.240 20.589 ( 7.825 -10.866 -6.462) 14.868 21.060 ( 0.588 0.262 -1.102) 1.276 ======================= Grid point 27 (21/172) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -10.287 8.854 0.226) 13.575 1.919 ( -1.174 -1.688 5.108) 5.506 2.142 ( -7.423 6.658 -6.076) 11.677 2.526 ( 6.024 -10.262 9.814) 15.425 2.986 ( -4.260 2.228 -1.198) 4.954 3.083 ( 3.805 -3.811 3.257) 6.294 3.740 ( -14.004 -7.774 -5.319) 16.877 3.963 ( 5.898 1.725 0.818) 6.199 4.256 ( 10.949 -0.319 3.476) 11.492 4.631 ( 3.921 -3.060 -5.343) 7.300 4.958 ( -0.441 6.521 -7.752) 10.140 5.255 ( -3.900 -6.097 5.146) 8.881 5.776 ( 8.325 2.926 -0.084) 8.825 5.998 ( -9.160 -3.904 0.522) 9.970 7.199 ( 1.774 1.041 -0.360) 2.088 7.942 ( -2.523 8.019 1.208) 8.493 8.316 ( -0.773 -3.046 1.729) 3.587 9.349 ( -1.327 -1.047 0.177) 1.700 10.841 ( 0.924 -1.088 1.046) 1.769 11.092 ( -4.209 1.106 0.122) 4.354 11.681 ( -0.887 1.357 -0.275) 1.644 12.082 ( -0.151 -0.244 1.136) 1.172 13.124 ( -3.919 4.102 3.091) 6.461 13.485 ( 5.205 -2.406 -3.700) 6.824 17.312 ( -3.670 2.180 2.735) 5.070 18.017 ( -7.895 7.971 0.620) 11.236 18.748 ( 1.712 -2.812 3.294) 4.658 18.822 ( -3.424 -0.142 0.181) 3.431 20.606 ( 9.384 -6.672 -5.326) 12.687 21.073 ( 1.143 0.580 -0.456) 1.360 ======================= Grid point 28 (22/172) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -4.223 5.734 3.016) 7.733 1.922 ( -5.249 8.926 -3.077) 10.802 2.107 ( 5.735 0.975 1.203) 5.940 2.600 ( 0.564 -5.079 11.311) 12.411 2.873 ( -7.129 3.105 3.001) 8.335 3.185 ( 14.423 -11.213 -4.484) 18.812 3.411 ( -8.964 -8.048 -5.828) 13.382 4.019 ( -1.995 -0.475 2.654) 3.354 4.497 ( 10.588 6.622 0.406) 12.494 4.655 ( 4.104 -1.160 -4.660) 6.316 4.831 ( -19.709 6.424 -5.235) 21.380 5.075 ( -7.082 -5.032 2.790) 9.124 5.888 ( 1.677 -4.838 5.917) 7.825 6.003 ( 13.732 2.924 -7.188) 15.773 7.257 ( 3.784 0.808 0.411) 3.891 7.965 ( -4.284 6.205 0.877) 7.591 8.233 ( -5.498 -4.652 0.452) 7.216 9.329 ( -0.156 0.187 -1.038) 1.066 10.873 ( 2.268 -1.972 5.011) 5.844 11.043 ( -2.461 2.179 -3.300) 4.658 11.657 ( -2.791 1.297 -0.729) 3.163 12.114 ( 2.518 -0.006 1.696) 3.036 13.019 ( -10.351 -0.463 -0.232) 10.364 13.563 ( 6.137 -0.261 -0.638) 6.176 17.313 ( -0.582 2.310 0.739) 2.494 17.953 ( -8.078 4.133 3.020) 9.564 18.732 ( -3.442 -1.175 -1.093) 3.797 18.771 ( -0.007 -2.885 1.320) 3.173 20.689 ( 9.059 -2.347 -3.032) 9.837 21.097 ( 1.140 0.524 -0.179) 1.267 ======================= Grid point 29 (23/172) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -12.436 3.633 0.606) 12.970 1.821 ( -13.204 5.520 -3.500) 14.733 2.285 ( 4.494 -1.383 11.144) 12.096 2.578 ( -1.007 1.016 -3.967) 4.217 2.997 ( -0.382 10.080 15.055) 18.122 3.102 ( -0.643 -6.901 -5.862) 9.077 3.384 ( 19.648 -15.644 -7.347) 26.168 3.928 ( -10.240 1.174 -4.979) 11.446 4.324 ( -24.567 5.588 1.040) 25.216 4.657 ( -0.214 -5.273 -1.504) 5.487 4.818 ( 10.144 6.206 0.372) 11.898 5.068 ( 4.353 0.750 1.960) 4.832 5.900 ( -0.099 -2.512 3.718) 4.488 6.240 ( 16.685 0.704 -5.112) 17.464 7.329 ( 3.642 0.332 -0.214) 3.663 7.913 ( -6.407 0.970 -1.812) 6.729 8.079 ( -8.967 -1.267 1.445) 9.171 9.339 ( 1.950 0.280 -0.658) 2.076 10.929 ( -0.972 -1.432 7.606) 7.801 11.016 ( 2.698 1.046 -5.489) 6.205 11.613 ( -3.545 1.830 -0.752) 4.060 12.173 ( 3.199 -0.462 1.100) 3.414 12.815 ( -11.837 -1.040 -1.309) 11.955 13.646 ( 3.765 0.346 -0.100) 3.782 17.340 ( 2.260 0.529 -0.990) 2.523 17.882 ( -6.687 1.192 4.443) 8.116 18.645 ( -3.219 -1.287 -2.146) 4.078 18.751 ( -1.429 -1.200 0.697) 1.992 20.807 ( 7.460 0.478 -0.793) 7.517 21.113 ( 0.596 0.167 -0.426) 0.751 ======================= Grid point 30 (24/172) ======================= q-point: (-0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -10.713 11.157 8.884) 17.837 1.538 ( -23.080 -1.752 8.144) 24.538 2.315 ( -12.469 7.232 -4.630) 15.140 2.557 ( -0.647 1.621 1.674) 2.418 2.831 ( -8.857 -5.978 -6.525) 12.520 3.261 ( -4.648 8.738 9.753) 13.896 3.520 ( 17.260 -15.007 0.022) 22.872 3.678 ( -5.294 6.479 -12.519) 15.057 4.293 ( 3.540 4.409 11.249) 12.590 4.595 ( 4.906 -5.745 -2.505) 7.959 4.983 ( 6.718 -5.817 4.516) 9.968 5.186 ( 4.960 1.308 1.246) 5.278 5.884 ( -2.558 1.876 -1.943) 3.720 6.490 ( 14.786 0.370 0.755) 14.810 7.367 ( 1.803 -0.592 -2.192) 2.900 7.766 ( -6.819 -1.362 -2.908) 7.537 7.956 ( -9.649 3.664 2.820) 10.700 9.387 ( 3.846 -0.752 0.897) 4.020 10.894 ( -3.199 -0.517 -0.853) 3.351 11.090 ( 5.496 -1.352 3.166) 6.485 11.564 ( -3.650 1.420 -0.804) 3.998 12.213 ( 2.416 -1.875 -0.343) 3.077 12.619 ( -10.855 2.474 -0.735) 11.157 13.687 ( 1.347 0.694 -2.251) 2.714 17.386 ( 5.060 -1.717 -1.006) 5.437 17.802 ( -5.698 -2.572 2.088) 6.591 18.596 ( -1.994 2.201 0.712) 3.054 18.710 ( -2.942 0.161 -0.313) 2.963 20.922 ( 5.241 1.147 0.469) 5.386 21.113 ( -0.033 -0.013 -0.933) 0.934 ======================= Grid point 32 (25/172) ======================= q-point: ( 0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -14.023 -4.277 16.743) 22.254 1.743 ( -19.847 12.526 10.669) 25.780 2.172 ( 11.033 -4.372 -0.966) 11.907 2.416 ( -2.130 15.405 -1.283) 15.605 2.602 ( 0.747 0.393 -8.201) 8.244 3.290 ( 1.450 -5.931 1.673) 6.331 3.602 ( 1.120 -3.050 -4.452) 5.512 3.978 ( -7.552 12.777 6.826) 16.336 4.400 ( 8.652 -9.593 15.177) 19.931 4.794 ( 8.229 -2.930 3.454) 9.393 4.912 ( 5.228 -4.176 0.197) 6.694 5.227 ( 4.965 -7.595 5.415) 10.566 5.736 ( -6.090 -2.316 -5.967) 8.835 6.581 ( 2.389 -8.861 -2.702) 9.567 7.305 ( 2.581 0.124 -3.951) 4.721 7.747 ( 0.401 6.902 -1.301) 7.035 8.013 ( -9.053 5.440 4.731) 11.573 9.466 ( 3.348 -2.993 4.982) 6.707 10.774 ( 1.053 -2.048 -1.558) 2.780 11.239 ( 4.816 -2.641 7.004) 8.901 11.572 ( -0.338 4.246 2.225) 4.806 12.161 ( 2.551 -1.450 -2.378) 3.777 12.664 ( -8.266 8.346 0.783) 11.773 13.577 ( -4.008 2.250 -7.713) 8.978 17.475 ( 9.642 -0.659 7.312) 12.119 17.673 ( -1.937 4.064 -2.109) 4.971 18.641 ( -4.240 1.046 -0.671) 4.418 18.747 ( -1.554 1.463 1.597) 2.666 20.907 ( -0.811 -5.969 -3.172) 6.808 21.096 ( 0.019 0.508 -1.212) 1.314 ======================= Grid point 33 (26/172) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -10.819 12.311 4.017) 16.874 1.621 ( -12.783 4.783 18.547) 23.028 2.364 ( 5.428 4.523 -6.451) 9.568 2.418 ( 1.758 3.664 -6.831) 7.949 2.737 ( -0.291 11.151 5.614) 12.488 3.325 ( 8.049 2.598 9.279) 12.555 3.537 ( -0.360 -10.984 2.336) 11.235 4.063 ( 5.224 -0.332 0.577) 5.266 4.506 ( 3.253 -12.620 7.711) 15.143 4.803 ( -12.051 -1.836 0.800) 12.216 4.824 ( -1.311 -2.528 2.555) 3.826 5.364 ( 14.468 -15.823 8.096) 22.918 5.624 ( 3.537 -2.780 -11.240) 12.107 6.370 ( -12.914 -6.256 -3.661) 14.809 7.334 ( 3.003 0.576 -3.749) 4.838 7.850 ( 1.451 9.706 1.259) 9.894 7.970 ( -5.924 5.403 5.785) 9.887 9.503 ( 1.148 -4.287 4.561) 6.364 10.789 ( 3.410 -2.845 0.193) 4.445 11.331 ( 2.998 -3.172 7.205) 8.424 11.663 ( 1.401 6.138 3.891) 7.401 12.178 ( 3.143 -1.629 -2.051) 4.091 12.616 ( -7.140 8.663 0.165) 11.228 13.488 ( -3.366 5.226 -8.074) 10.190 17.687 ( 2.829 3.197 -1.448) 4.508 17.746 ( 7.712 6.372 11.767) 15.445 18.579 ( -3.423 1.995 -1.641) 4.288 18.722 ( -2.770 0.573 0.367) 2.852 20.766 ( -2.272 -10.716 -5.427) 12.224 21.089 ( -0.280 0.424 -1.479) 1.564 ======================= Grid point 34 (27/172) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 6.816 22.082 4.838) 23.611 1.638 ( -4.408 1.176 17.251) 17.844 2.306 ( -1.259 2.006 -11.368) 11.612 2.602 ( 3.483 18.856 -3.526) 19.497 2.760 ( 1.552 -4.468 5.134) 6.981 3.424 ( -3.985 -10.499 9.201) 14.518 3.708 ( 15.785 6.807 9.078) 19.440 3.945 ( -16.119 -12.174 -3.906) 20.574 4.378 ( 0.945 -12.730 1.310) 12.832 4.660 ( -1.241 -3.863 -2.757) 4.905 4.876 ( 1.254 6.540 7.929) 10.355 5.360 ( 2.874 -27.425 1.200) 27.601 5.558 ( 0.968 -2.855 -10.756) 11.171 6.178 ( -4.665 4.564 1.773) 6.763 7.338 ( -0.391 0.126 -2.731) 2.761 7.928 ( -3.164 7.537 2.467) 8.539 8.050 ( 2.761 6.419 4.894) 8.531 9.493 ( -0.626 -4.527 3.904) 6.010 10.817 ( 2.765 -2.615 0.011) 3.806 11.366 ( -0.570 -3.089 5.448) 6.289 11.743 ( -2.689 5.296 4.031) 7.178 12.200 ( 2.523 -1.864 -0.983) 3.288 12.625 ( -1.118 8.977 -0.150) 9.048 13.463 ( -0.208 5.551 -5.962) 8.149 17.701 ( -3.710 3.006 0.235) 4.781 18.035 ( 5.751 7.705 12.738) 15.959 18.561 ( -0.594 4.001 -2.801) 4.920 18.709 ( 0.904 2.277 0.314) 2.470 20.570 ( -0.895 -14.837 -6.773) 16.334 21.074 ( -0.480 0.012 -1.652) 1.721 ======================= Grid point 35 (28/172) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -0.534 6.253 9.083) 11.040 1.843 ( 9.168 18.639 5.684) 21.535 2.195 ( -5.378 -0.337 -7.188) 8.984 2.749 ( 5.355 -1.240 4.686) 7.223 2.907 ( 9.828 4.101 -1.245) 10.722 3.250 ( -18.715 -11.154 5.151) 22.387 3.518 ( -6.985 -1.437 -2.555) 7.575 3.999 ( 4.986 1.281 8.947) 10.322 4.313 ( 0.300 -5.227 -2.583) 5.838 4.592 ( 2.294 -8.539 -2.175) 9.105 4.913 ( -1.270 -21.821 -9.216) 23.721 5.195 ( 3.017 8.898 4.618) 10.469 5.495 ( -1.480 -5.196 3.083) 6.221 6.242 ( 3.489 2.890 0.371) 4.545 7.295 ( -2.895 0.238 -0.994) 3.070 7.962 ( -2.627 6.984 1.447) 7.601 8.183 ( 3.244 3.593 3.512) 5.981 9.458 ( -1.650 -3.815 3.182) 5.234 10.829 ( 1.460 -1.787 -0.364) 2.336 11.335 ( -3.657 -2.033 3.298) 5.328 11.739 ( -5.198 4.173 2.995) 7.308 12.198 ( -0.360 -1.595 -0.799) 1.820 12.758 ( 6.425 8.093 1.278) 10.412 13.477 ( 0.344 3.009 -4.151) 5.139 17.630 ( -8.071 1.457 2.841) 8.680 18.225 ( -1.673 9.951 7.113) 12.346 18.576 ( 1.559 0.746 -1.003) 1.998 18.819 ( 4.257 7.010 1.882) 8.414 20.379 ( 3.236 -17.278 -7.640) 19.167 21.054 ( -0.264 -0.106 -1.533) 1.559 ======================= Grid point 36 (29/172) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -7.399 9.426 -6.959) 13.857 2.014 ( -5.854 -3.094 2.522) 7.085 2.184 ( 3.553 10.847 9.910) 15.116 2.647 ( -16.532 -13.996 0.809) 21.676 2.899 ( 3.888 -5.289 0.816) 6.615 3.164 ( 6.260 4.909 0.736) 7.990 3.613 ( 7.845 7.534 2.360) 11.130 4.032 ( -3.541 -3.609 5.331) 7.347 4.216 ( -6.893 -2.732 -5.410) 9.179 4.526 ( 2.946 -10.333 -7.296) 12.988 4.688 ( 8.962 -10.413 -4.088) 14.334 5.337 ( -2.086 1.672 0.380) 2.701 5.534 ( 5.853 2.026 9.175) 11.070 6.280 ( -1.635 0.361 -1.454) 2.218 7.244 ( -3.458 0.773 0.218) 3.550 8.000 ( -1.651 7.478 0.396) 7.668 8.269 ( 2.514 -0.098 2.474) 3.529 9.413 ( -2.197 -2.519 2.043) 3.917 10.827 ( 0.525 -1.408 -0.574) 1.608 11.264 ( -5.234 -0.587 1.792) 5.564 11.720 ( -3.187 3.395 1.856) 5.013 12.150 ( -2.634 -1.386 -0.685) 3.054 12.983 ( 9.643 6.540 2.927) 12.014 13.453 ( -1.660 -0.448 -3.751) 4.126 17.525 ( -8.459 1.390 3.488) 9.255 18.282 ( -7.156 12.157 1.082) 14.149 18.622 ( 4.678 -3.326 2.456) 6.243 18.930 ( -1.304 5.000 2.082) 5.571 20.272 ( 9.306 -14.275 -6.964) 18.409 21.046 ( 0.363 0.230 -1.041) 1.127 ======================= Grid point 37 (30/172) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -14.010 6.832 -4.611) 16.255 1.963 ( -2.173 -1.314 5.534) 6.089 2.301 ( -11.307 -4.158 -5.397) 13.201 2.405 ( 6.097 2.733 9.804) 11.865 2.889 ( 0.555 -5.383 0.016) 5.411 3.248 ( -2.755 2.913 -1.384) 4.241 3.799 ( -0.205 -1.556 0.203) 1.583 3.918 ( -4.271 -2.635 1.473) 5.230 4.094 ( 6.365 -1.405 -1.611) 6.714 4.479 ( 5.119 -3.750 -4.496) 7.777 4.868 ( 14.401 3.871 -3.116) 15.235 5.270 ( -3.626 -5.292 4.090) 7.608 5.710 ( 5.140 3.170 2.682) 6.608 6.156 ( -11.035 -1.525 -1.491) 11.240 7.206 ( -1.669 0.683 0.163) 1.810 8.055 ( -1.179 7.768 -0.312) 7.863 8.297 ( 0.856 -3.275 1.962) 3.913 9.371 ( -2.011 -0.782 0.674) 2.261 10.817 ( 0.707 -1.734 -0.191) 1.883 11.185 ( -5.250 0.819 0.560) 5.342 11.722 ( -1.745 2.972 0.698) 3.516 12.093 ( -1.616 -1.573 -0.030) 2.256 13.214 ( 6.156 6.009 4.777) 9.840 13.363 ( -1.663 -4.188 -5.002) 6.733 17.436 ( -6.582 2.045 2.276) 7.259 18.249 ( -9.428 9.442 -0.500) 13.352 18.686 ( 4.444 -4.270 3.665) 7.171 18.890 ( -5.154 -1.407 -0.645) 5.381 20.325 ( 12.610 -5.883 -3.788) 14.421 21.057 ( 1.016 0.580 -0.459) 1.257 ======================= Grid point 38 (31/172) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -3.826 3.632 4.606) 7.003 1.985 ( 2.569 -0.308 -1.070) 2.800 2.071 ( -6.079 -0.119 -6.000) 8.542 2.597 ( 4.901 -3.283 12.179) 13.532 2.859 ( 2.453 1.919 -4.448) 5.430 3.131 ( -9.103 1.331 -2.217) 9.464 3.541 ( -14.634 -3.374 -1.816) 15.128 4.005 ( 3.554 -1.438 3.589) 5.252 4.270 ( 15.607 -3.552 -2.792) 16.248 4.555 ( 6.175 3.606 -0.110) 7.152 5.049 ( -1.265 12.067 -6.853) 13.935 5.195 ( -3.672 -10.068 9.561) 14.362 5.791 ( 3.484 3.793 -7.541) 9.132 5.947 ( -7.058 -4.706 4.843) 9.768 7.212 ( 1.875 0.062 -0.053) 1.876 8.075 ( -3.154 3.955 -2.212) 5.521 8.268 ( -2.006 -2.716 1.955) 3.902 9.342 ( -1.562 0.592 -0.395) 1.716 10.829 ( 2.823 -1.981 1.346) 3.702 11.113 ( -4.862 1.381 -0.797) 5.117 11.716 ( -2.538 2.905 -0.579) 3.901 12.078 ( 1.553 -1.879 0.664) 2.527 13.175 ( -9.311 -1.674 -1.133) 9.527 13.439 ( 8.859 1.169 0.908) 8.982 17.375 ( -4.243 2.162 -0.404) 4.779 18.147 ( -9.368 2.010 0.904) 9.623 18.731 ( 2.535 -3.865 2.520) 5.264 18.773 ( -4.288 -1.710 -2.230) 5.127 20.493 ( 11.543 0.687 -0.368) 11.570 21.079 ( 1.208 0.490 -0.259) 1.329 ======================= Grid point 39 (32/172) ======================= q-point: (-0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -8.772 4.864 5.936) 11.655 1.875 ( 4.273 -14.957 -4.809) 16.281 2.218 ( 9.023 13.137 0.904) 15.963 2.553 ( -5.180 -9.824 1.042) 11.155 2.962 ( 4.398 -1.420 -8.065) 9.295 3.058 ( 2.217 1.519 -1.281) 2.977 3.360 ( -10.806 13.581 11.677) 20.918 4.005 ( -2.140 -2.862 0.602) 3.623 4.397 ( 8.975 -8.567 -7.626) 14.563 4.728 ( 6.997 5.428 1.639) 9.006 4.912 ( -24.570 3.184 2.568) 24.908 5.079 ( -2.240 -0.504 4.481) 5.034 5.860 ( 5.807 4.557 -9.261) 11.843 5.976 ( 10.260 -5.093 7.723) 13.815 7.259 ( 3.830 -0.479 -0.621) 3.910 7.978 ( -5.483 -3.328 -4.145) 7.637 8.222 ( -5.249 2.571 1.934) 6.157 9.327 ( -0.441 0.653 -0.284) 0.837 10.895 ( 5.482 -1.823 2.375) 6.246 11.034 ( -4.909 0.697 -1.424) 5.158 11.686 ( -3.419 2.644 -1.369) 4.534 12.108 ( 3.428 -2.255 0.399) 4.122 12.985 ( -10.280 -0.984 -1.203) 10.397 13.576 ( 5.500 1.046 0.842) 5.661 17.326 ( -1.777 0.619 -3.045) 3.579 18.007 ( -6.891 -4.491 2.113) 8.492 18.681 ( -2.956 1.260 -2.436) 4.032 18.755 ( 0.306 -1.751 2.306) 2.912 20.690 ( 8.839 3.372 1.733) 9.618 21.097 ( 0.881 0.053 -0.564) 1.047 ======================= Grid point 40 (33/172) ======================= q-point: (-0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -9.051 6.983 8.088) 14.003 1.793 ( -1.473 -11.416 5.965) 12.964 2.381 ( -1.332 -6.014 -4.790) 7.803 2.495 ( 9.578 6.075 -1.956) 11.509 2.827 ( -6.018 -7.318 -10.309) 14.002 3.083 ( 4.494 1.355 -2.860) 5.497 3.625 ( 0.640 21.241 15.636) 26.383 3.904 ( -10.478 4.766 -2.061) 11.694 4.337 ( 4.916 -7.774 -5.087) 10.511 4.559 ( -18.100 -3.613 7.278) 19.840 4.861 ( 4.602 -2.632 2.902) 6.044 5.132 ( 3.871 -0.353 3.497) 5.229 5.910 ( 0.743 5.054 -5.269) 7.339 6.225 ( 17.310 -3.626 4.801) 18.326 7.303 ( 2.890 -0.776 -2.228) 3.730 7.818 ( -5.063 -3.258 -3.926) 7.188 8.162 ( -7.629 4.493 1.829) 9.040 9.342 ( 1.725 -0.346 1.333) 2.207 10.924 ( -2.726 -0.471 -5.855) 6.476 11.016 ( 4.477 -1.907 6.839) 8.393 11.635 ( -3.908 1.483 -1.493) 4.439 12.140 ( 3.110 -2.523 -0.635) 4.055 12.820 ( -9.832 2.988 -0.033) 10.276 13.650 ( 2.489 0.558 -1.023) 2.748 17.296 ( 1.876 -1.774 -2.838) 3.837 17.866 ( -5.515 -5.738 0.670) 7.987 18.662 ( -1.627 3.864 0.756) 4.260 18.748 ( -1.383 -0.198 0.912) 1.668 20.856 ( 5.667 2.642 1.928) 6.543 21.101 ( 0.440 -0.159 -0.995) 1.100 ======================= Grid point 42 (34/172) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 6.737 -11.676 7.722) 15.535 1.982 ( 7.945 -1.023 6.597) 10.378 2.153 ( -6.930 5.303 6.184) 10.695 2.457 ( 1.705 1.865 -3.223) 4.096 2.512 ( -1.236 -1.211 -6.019) 6.263 3.293 ( -6.226 10.498 1.988) 12.366 3.620 ( -7.579 -5.517 -7.267) 11.861 4.127 ( 7.665 -12.340 7.684) 16.434 4.514 ( -7.424 8.876 5.523) 12.822 4.615 ( 4.245 6.918 3.401) 8.800 4.816 ( 3.875 -0.671 0.264) 3.942 5.152 ( 0.560 -6.362 3.446) 7.257 5.792 ( -7.997 -4.756 -2.914) 9.750 6.348 ( 13.408 -8.505 -1.467) 15.945 7.242 ( 1.206 -0.451 -3.825) 4.036 7.786 ( 1.990 6.605 -0.126) 6.899 8.217 ( -6.372 3.137 3.548) 7.939 9.420 ( 3.181 -2.110 4.113) 5.611 10.755 ( -1.973 -0.610 -2.472) 3.221 11.173 ( 5.586 -1.685 4.980) 7.671 11.640 ( -0.744 3.831 2.734) 4.765 12.090 ( 1.776 -1.877 -2.347) 3.490 12.873 ( -6.413 7.081 1.236) 9.633 13.589 ( -1.823 -0.346 -4.608) 4.968 17.362 ( 9.193 0.216 6.679) 11.365 17.750 ( -2.454 5.829 -0.969) 6.398 18.708 ( -2.958 1.105 -0.857) 3.271 18.780 ( -0.559 -0.455 1.472) 1.639 20.846 ( -2.159 -6.278 -3.818) 7.659 21.088 ( 0.314 0.280 -0.988) 1.074 ======================= Grid point 43 (35/172) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -2.995 -1.640 8.825) 9.462 1.959 ( -9.541 -0.249 5.838) 11.188 2.279 ( 8.224 7.102 2.881) 11.242 2.372 ( -3.377 4.885 -10.793) 12.319 2.784 ( 17.582 4.991 9.848) 20.761 3.267 ( -7.509 2.201 1.696) 8.006 3.422 ( 0.170 -10.747 0.414) 10.756 4.132 ( -0.949 -3.535 5.060) 6.245 4.493 ( -8.492 2.794 0.996) 8.995 4.731 ( 7.762 -6.283 -4.740) 11.054 4.880 ( 8.805 -10.434 -1.879) 13.782 5.113 ( -4.958 1.122 6.302) 8.097 5.598 ( -5.610 -4.614 -1.094) 7.346 6.387 ( 1.408 -6.124 -2.030) 6.603 7.256 ( 3.543 0.297 -2.940) 4.613 7.913 ( 2.890 9.107 1.882) 9.738 8.158 ( -6.927 2.698 3.890) 8.390 9.468 ( 2.170 -3.487 3.726) 5.545 10.733 ( 1.051 -0.662 -0.378) 1.298 11.279 ( 4.974 -2.171 4.940) 7.339 11.724 ( 1.710 5.835 4.396) 7.503 12.089 ( 2.913 -2.024 -2.812) 4.527 12.834 ( -8.168 7.633 1.417) 11.269 13.518 ( -2.128 1.280 -5.726) 6.241 17.588 ( 9.927 0.331 4.882) 11.067 17.840 ( 2.181 12.336 6.717) 14.215 18.650 ( -3.981 2.181 -2.628) 5.245 18.761 ( -1.731 -1.631 1.291) 2.706 20.667 ( -4.196 -11.404 -6.896) 13.972 21.085 ( -0.084 0.129 -1.302) 1.311 ======================= Grid point 44 (36/172) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 3.699 14.444 9.993) 17.949 1.880 ( -8.947 4.471 9.673) 13.915 2.268 ( -1.191 3.655 -11.769) 12.381 2.543 ( 10.800 4.845 -0.143) 11.837 2.900 ( -11.149 0.165 1.483) 11.248 3.387 ( 14.544 -2.295 2.769) 14.982 3.428 ( 9.355 -8.128 13.899) 18.621 4.112 ( -8.499 1.976 0.635) 8.749 4.283 ( -6.697 -11.192 -3.433) 13.487 4.595 ( -2.983 -10.061 -5.228) 11.724 4.892 ( 11.686 -21.542 -10.469) 26.650 5.143 ( -5.678 13.930 8.192) 17.129 5.524 ( -0.709 -3.168 2.095) 3.864 6.304 ( -4.721 -0.406 0.254) 4.745 7.301 ( 2.743 0.095 -1.558) 3.157 8.044 ( 0.077 6.669 2.171) 7.014 8.123 ( -2.305 3.689 3.569) 5.627 9.477 ( 0.614 -3.670 2.774) 4.641 10.756 ( 2.203 -0.910 0.323) 2.405 11.353 ( 2.658 -2.600 3.898) 5.387 11.840 ( 1.028 5.496 4.198) 6.992 12.111 ( 3.922 -2.075 -2.162) 4.936 12.777 ( -7.277 6.903 0.991) 10.080 13.480 ( -0.489 3.110 -4.542) 5.526 17.722 ( 4.137 2.174 -1.122) 4.807 18.128 ( 5.240 10.302 16.803) 20.394 18.615 ( -0.926 7.014 -3.947) 8.101 18.719 ( -1.780 -1.241 0.405) 2.208 20.408 ( -4.279 -15.706 -8.718) 18.466 21.069 ( -0.469 -0.275 -1.451) 1.550 ======================= Grid point 45 (37/172) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -6.017 10.867 4.451) 13.195 1.955 ( 9.213 21.695 9.505) 25.415 2.209 ( -1.052 0.189 -4.795) 4.913 2.613 ( 1.163 -14.082 1.391) 14.198 2.836 ( 3.375 4.937 -2.264) 6.394 3.437 ( -2.709 -2.447 10.295) 10.923 3.684 ( -14.730 -5.649 -3.297) 16.117 3.790 ( 11.457 -5.126 1.461) 12.637 4.237 ( 2.776 -2.554 -2.382) 4.461 4.452 ( 2.047 -13.261 -3.989) 13.998 4.717 ( -2.458 -13.202 -7.632) 15.446 5.278 ( 1.059 11.783 3.432) 12.318 5.502 ( -1.007 -3.576 4.502) 5.837 6.266 ( -1.495 2.519 0.861) 3.053 7.313 ( -0.090 -0.322 -0.493) 0.596 8.071 ( -2.327 3.839 1.862) 4.861 8.195 ( 1.707 3.357 2.038) 4.282 9.464 ( -0.518 -2.660 2.096) 3.426 10.782 ( 1.833 -1.111 0.086) 2.145 11.371 ( -0.476 -1.849 2.205) 2.917 11.892 ( -4.107 4.472 3.283) 6.903 12.141 ( 3.550 -2.432 -1.420) 4.531 12.773 ( -0.273 5.532 0.590) 5.570 13.484 ( -0.058 2.766 -2.605) 3.800 17.756 ( -2.381 2.300 0.001) 3.310 18.335 ( 1.642 1.190 11.761) 11.934 18.642 ( -5.291 7.768 -3.187) 9.924 18.807 ( 8.348 9.324 3.089) 12.890 20.125 ( -1.416 -18.595 -9.082) 20.743 21.048 ( -0.403 -0.322 -1.206) 1.312 ======================= Grid point 46 (38/172) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -6.769 13.069 -6.542) 16.107 2.133 ( -5.323 0.895 3.245) 6.298 2.312 ( 0.560 9.810 6.796) 11.947 2.597 ( 12.449 -11.801 7.335) 18.656 2.796 ( -4.891 -12.199 -5.857) 14.389 3.251 ( -13.619 5.762 1.894) 14.909 3.572 ( 4.264 5.765 -3.347) 7.913 4.039 ( 12.470 -5.078 5.505) 14.546 4.213 ( 1.291 -0.598 -4.408) 4.632 4.317 ( -0.514 -10.956 -4.830) 11.985 4.523 ( -4.390 -5.544 -1.455) 7.220 5.373 ( -0.576 1.117 -0.095) 1.260 5.541 ( 3.327 2.461 5.941) 7.240 6.291 ( 0.480 2.110 -0.555) 2.234 7.295 ( -1.782 -0.128 0.320) 1.815 8.087 ( -1.285 4.212 0.541) 4.437 8.247 ( 1.403 -0.045 1.102) 1.785 9.440 ( -1.609 -1.233 1.324) 2.421 10.793 ( 1.048 -1.524 -0.364) 1.885 11.340 ( -3.088 -0.315 0.790) 3.203 11.855 ( -6.397 3.813 2.448) 7.839 12.145 ( 0.539 -2.544 -1.200) 2.864 12.887 ( 7.894 3.295 0.599) 8.575 13.474 ( -1.949 0.767 -1.252) 2.440 17.695 ( -7.293 1.542 1.798) 7.668 18.443 ( 3.287 0.524 6.501) 7.303 18.595 ( -4.950 5.998 -4.234) 8.854 19.008 ( 0.136 5.699 2.342) 6.163 19.947 ( 7.324 -13.236 -5.232) 16.006 21.038 ( 0.119 0.126 -0.609) 0.633 ======================= Grid point 47 (39/172) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -12.685 7.105 -10.710) 18.058 2.060 ( -5.983 -0.920 4.378) 7.471 2.354 ( -5.794 -5.212 2.294) 8.123 2.456 ( -2.326 -9.647 2.937) 10.349 2.867 ( 6.593 5.614 4.757) 9.880 3.201 ( -0.558 3.041 -5.207) 6.056 3.699 ( 9.100 1.559 -6.204) 11.123 4.032 ( -7.517 -3.039 -2.684) 8.541 4.115 ( -8.630 -0.344 6.637) 10.893 4.369 ( 5.605 2.690 0.344) 6.226 4.562 ( 17.838 -2.019 -0.669) 17.965 5.333 ( -3.959 -1.231 2.104) 4.649 5.664 ( 5.180 0.522 0.959) 5.294 6.275 ( -4.470 1.220 -1.308) 4.815 7.253 ( -3.084 -0.359 0.167) 3.109 8.120 ( -0.030 4.791 -1.147) 4.927 8.258 ( 1.136 -3.214 1.114) 3.586 9.410 ( -2.195 0.460 0.444) 2.286 10.784 ( 0.519 -2.021 -0.701) 2.201 11.280 ( -4.660 0.962 -0.128) 4.760 11.813 ( -4.457 3.613 1.485) 5.926 12.097 ( -1.650 -2.954 -1.066) 3.547 13.075 ( 11.576 0.061 -0.439) 11.584 13.415 ( -4.712 -0.134 0.618) 4.754 17.591 ( -8.024 1.480 1.592) 8.313 18.485 ( -9.836 7.643 -2.439) 12.693 18.573 ( 6.291 -4.115 1.378) 7.642 18.931 ( -4.913 -6.863 -2.581) 8.827 20.066 ( 13.160 0.927 1.820) 13.318 21.046 ( 0.676 0.574 0.015) 0.887 ======================= Grid point 49 (40/172) ======================= q-point: (-0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -8.769 -0.666 -6.402) 10.878 1.978 ( -5.111 -3.293 -0.809) 6.134 2.165 ( -6.767 3.657 -2.205) 8.002 2.519 ( 7.288 -9.761 10.540) 16.109 2.938 ( -7.317 7.387 -2.738) 10.752 3.173 ( 1.599 1.108 -9.852) 10.043 3.757 ( -3.213 2.989 1.855) 4.765 3.927 ( 5.038 -3.694 -3.535) 7.178 4.066 ( -4.027 0.654 6.970) 8.076 4.515 ( 5.853 7.626 1.661) 9.756 4.904 ( 20.022 0.616 0.385) 20.036 5.254 ( -5.974 -1.277 2.371) 6.553 5.729 ( 4.097 -0.752 -2.720) 4.975 6.134 ( -12.582 0.554 0.186) 12.596 7.205 ( -1.470 -0.802 0.017) 1.674 8.111 ( -2.461 -1.304 -3.439) 4.426 8.270 ( 1.804 -0.139 1.393) 2.283 9.384 ( -2.322 1.877 -0.401) 3.012 10.774 ( 1.617 -2.207 -0.201) 2.744 11.205 ( -5.224 1.313 -0.941) 5.468 11.790 ( -3.205 3.148 -0.382) 4.508 12.042 ( -0.162 -3.200 -0.227) 3.212 13.184 ( 3.548 -5.736 -4.176) 7.932 13.391 ( 0.527 3.619 4.920) 6.131 17.485 ( -7.110 1.724 -0.967) 7.379 18.285 ( -10.089 -5.744 -4.983) 12.634 18.660 ( 4.394 -1.431 2.806) 5.406 18.796 ( -2.559 -2.717 -2.388) 4.431 20.342 ( 11.699 6.515 4.534) 14.138 21.067 ( 0.832 0.513 0.241) 1.007 ======================= Grid point 50 (41/172) ======================= q-point: (-0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 4.678 -9.305 -4.495) 11.343 1.784 ( -11.856 -1.618 -1.214) 12.027 2.236 ( 5.652 9.614 0.703) 11.175 2.547 ( -2.549 -11.229 5.340) 12.693 2.808 ( 1.419 -3.516 -11.847) 12.439 3.174 ( -4.215 12.378 -2.352) 13.286 3.778 ( -8.861 16.382 11.126) 21.695 3.951 ( 3.632 -7.418 -0.632) 8.283 4.097 ( 7.384 -5.824 -2.080) 9.632 4.697 ( 4.839 7.008 0.870) 8.560 5.135 ( 3.500 -8.597 7.568) 11.977 5.163 ( -3.325 4.984 -3.834) 7.113 5.772 ( 2.248 5.992 -6.017) 8.784 5.943 ( -7.086 -2.976 4.778) 9.050 7.202 ( 1.797 -0.700 0.315) 1.954 7.983 ( -4.424 -6.208 -4.063) 8.638 8.305 ( -0.512 2.676 0.051) 2.725 9.360 ( -2.262 1.867 -0.751) 3.027 10.804 ( 4.231 -1.989 0.825) 4.748 11.118 ( -5.390 0.742 -1.477) 5.638 11.750 ( -3.127 1.494 -2.294) 4.156 12.038 ( 2.275 -2.201 0.678) 3.238 13.086 ( -4.606 -3.552 -1.930) 6.128 13.512 ( 4.891 2.077 2.951) 6.079 17.369 ( -5.861 0.631 -4.579) 7.464 18.040 ( -5.633 -10.805 -1.785) 12.315 18.719 ( 0.453 2.473 0.143) 2.518 18.749 ( -0.461 -0.794 0.616) 1.105 20.614 ( 8.807 6.899 4.804) 12.175 21.082 ( 0.580 0.039 -0.046) 0.583 ======================= Grid point 51 (42/172) ======================= q-point: (-0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 12.041 -20.973 -6.863) 25.139 1.655 ( -5.774 6.725 7.513) 11.620 2.336 ( -6.367 -10.646 -3.882) 12.998 2.453 ( 7.147 8.006 0.582) 10.748 2.753 ( 0.313 -4.532 -5.622) 7.228 3.216 ( -6.335 17.153 -1.238) 18.327 3.908 ( -4.593 7.561 4.216) 9.800 3.976 ( 8.157 1.925 4.089) 9.325 4.094 ( 2.233 -7.080 0.113) 7.425 4.758 ( -1.448 -2.058 -0.897) 2.672 5.043 ( -16.357 1.132 7.034) 17.842 5.110 ( -0.562 1.852 -0.778) 2.086 5.858 ( 6.957 5.329 -5.978) 10.609 5.976 ( 8.336 -5.193 6.130) 11.577 7.239 ( 2.599 -0.402 -0.424) 2.664 7.824 ( -3.906 -4.900 -3.677) 7.265 8.298 ( -3.332 2.941 -0.152) 4.446 9.343 ( -0.731 0.739 0.401) 1.114 10.869 ( 3.879 -1.499 -0.773) 4.230 11.033 ( -3.289 -0.379 0.589) 3.363 11.691 ( -2.945 0.293 -2.173) 3.672 12.068 ( 2.605 -1.405 0.170) 2.964 12.974 ( -5.877 0.634 -0.091) 5.912 13.605 ( 3.067 0.559 0.586) 3.172 17.257 ( -2.272 -1.515 -4.462) 5.232 17.879 ( -3.138 -7.115 -0.022) 7.776 18.725 ( -1.427 2.991 -0.369) 3.335 18.766 ( 0.294 0.171 1.735) 1.768 20.816 ( 5.263 4.251 3.256) 7.508 21.086 ( 0.351 -0.235 -0.509) 0.661 ======================= Grid point 54 (43/172) ======================= q-point: ( 0.10 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 10.028 -0.802 4.748) 11.124 1.856 ( 6.998 -4.629 -1.194) 8.475 2.278 ( 4.365 10.992 7.442) 13.973 2.413 ( -5.592 -7.047 -0.746) 9.027 2.640 ( -6.525 4.406 -0.515) 7.890 3.486 ( 1.013 -17.580 -0.870) 17.631 3.641 ( -10.011 14.260 2.180) 17.559 4.003 ( 3.631 1.836 2.588) 4.823 4.289 ( 7.138 -13.682 -7.262) 17.055 4.768 ( 2.902 1.562 0.743) 3.379 5.044 ( -14.905 10.732 0.672) 18.379 5.118 ( 1.528 -1.231 2.771) 3.395 5.851 ( -4.667 -5.481 0.238) 7.202 6.005 ( 13.877 -5.060 -2.301) 14.949 7.214 ( -0.866 -0.223 -2.034) 2.222 7.809 ( 3.100 5.986 1.921) 7.009 8.319 ( -1.675 -0.048 1.983) 2.596 9.377 ( 2.386 -1.518 1.857) 3.383 10.792 ( -4.046 0.748 -1.711) 4.456 11.099 ( 5.242 -0.564 2.835) 5.987 11.694 ( 0.616 2.209 2.824) 3.638 12.046 ( -0.249 -0.893 -1.594) 1.844 13.000 ( -0.914 3.742 0.895) 3.954 13.582 ( -1.893 -1.152 -2.567) 3.392 17.281 ( 6.338 0.960 5.724) 8.594 17.834 ( -0.216 7.118 -0.150) 7.123 18.743 ( -0.708 0.573 -0.313) 0.963 18.778 ( -0.218 -2.131 0.066) 2.143 20.812 ( -4.002 -5.610 -3.945) 7.941 21.081 ( 0.135 0.222 -0.321) 0.413 ======================= Grid point 55 (44/172) ======================= q-point: ( 0.20 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 9.762 -2.416 8.436) 13.127 1.954 ( 7.110 -1.966 0.615) 7.403 2.241 ( -0.495 -1.924 -2.670) 3.328 2.484 ( -6.001 8.252 -9.743) 14.108 2.685 ( 8.778 7.411 19.604) 22.722 3.321 ( -2.275 -14.929 -0.521) 15.110 3.581 ( -13.902 11.325 5.375) 18.719 4.059 ( 2.673 -2.639 -2.542) 4.536 4.302 ( 17.188 -15.302 -7.534) 24.214 4.689 ( -7.095 -5.823 -1.176) 9.254 4.888 ( -14.370 4.051 -2.003) 15.064 5.210 ( 3.530 4.931 3.144) 6.831 5.686 ( -8.150 -3.477 2.608) 9.236 6.193 ( 13.161 -4.482 -1.674) 14.003 7.199 ( 1.297 0.454 -1.740) 2.217 7.957 ( 3.715 7.956 2.910) 9.250 8.284 ( -4.065 -0.441 1.972) 4.539 9.417 ( 2.768 -2.845 2.145) 4.511 10.740 ( -1.941 1.149 -0.463) 2.302 11.203 ( 5.510 -1.196 2.871) 6.327 11.768 ( 2.172 2.804 4.011) 5.354 12.024 ( 0.583 -0.661 -2.328) 2.489 13.023 ( -4.125 6.291 2.220) 7.843 13.507 ( -1.757 -1.608 -4.565) 5.149 17.464 ( 9.000 -0.374 5.330) 10.467 17.968 ( 3.289 13.829 4.994) 15.066 18.704 ( -3.197 0.901 -3.372) 4.733 18.766 ( 0.255 -2.491 2.262) 3.374 20.605 ( -6.888 -9.960 -6.852) 13.913 21.079 ( -0.155 -0.035 -0.731) 0.748 ======================= Grid point 56 (45/172) ======================= q-point: ( 0.30 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 9.437 2.264 13.321) 16.482 2.032 ( 2.518 1.204 3.075) 4.153 2.301 ( -0.091 8.887 -8.521) 12.313 2.386 ( 2.954 1.461 -5.346) 6.280 3.032 ( -2.827 -0.890 10.341) 10.757 3.142 ( 8.327 -6.841 1.752) 10.918 3.529 ( -8.374 5.539 10.342) 14.414 4.060 ( 6.119 -4.430 -4.169) 8.628 4.339 ( 5.923 -11.733 -8.861) 15.851 4.541 ( 0.727 -5.549 -3.908) 6.826 4.572 ( -18.833 -5.949 -2.176) 19.870 5.321 ( 2.082 4.470 0.754) 4.989 5.590 ( -6.116 1.783 4.825) 7.992 6.297 ( 4.170 -2.346 -0.049) 4.785 7.242 ( 3.505 0.713 -0.481) 3.609 8.095 ( 2.104 4.962 2.795) 6.071 8.219 ( -4.008 0.706 0.882) 4.164 9.439 ( 1.920 -2.934 1.346) 3.756 10.741 ( 0.187 1.164 0.636) 1.340 11.291 ( 4.614 -1.767 2.178) 5.400 11.858 ( 3.568 0.708 2.313) 4.311 12.036 ( 2.118 1.191 -1.118) 2.675 12.989 ( -9.006 5.509 2.342) 10.814 13.459 ( 1.213 -0.112 -4.174) 4.348 17.619 ( 7.922 -0.468 0.485) 7.951 18.265 ( 6.530 13.340 12.958) 19.711 18.631 ( -1.556 -0.321 -3.910) 4.221 18.766 ( -1.332 2.512 1.348) 3.146 20.312 ( -8.509 -12.693 -8.406) 17.440 21.065 ( -0.510 -0.479 -0.937) 1.169 ======================= Grid point 57 (46/172) ======================= q-point: ( 0.40 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 11.215 -0.644 12.987) 17.172 2.146 ( 4.841 5.318 4.606) 8.540 2.223 ( -8.873 15.843 -9.769) 20.619 2.517 ( 5.633 1.511 -3.147) 6.627 2.807 ( -6.865 -10.458 -0.348) 12.515 3.395 ( 15.399 -4.053 0.229) 15.926 3.537 ( -2.310 -2.267 11.616) 12.058 4.052 ( -17.627 -1.796 -5.447) 18.536 4.156 ( -1.711 2.183 -0.770) 2.878 4.280 ( 1.098 -9.740 -1.875) 9.979 4.551 ( 6.527 -4.527 -5.202) 9.496 5.372 ( 0.205 2.356 -0.309) 2.385 5.558 ( -4.071 2.141 3.513) 5.788 6.307 ( -0.725 -0.641 0.758) 1.230 7.294 ( 1.926 0.151 -0.103) 1.935 8.128 ( -1.103 -0.409 1.367) 1.803 8.220 ( 0.068 3.143 0.531) 3.189 9.449 ( 1.134 -1.619 0.657) 2.083 10.763 ( 0.496 0.775 0.591) 1.093 11.348 ( 2.599 -1.421 1.171) 3.185 11.933 ( 4.570 -0.886 0.129) 4.657 12.079 ( 0.742 1.804 0.304) 1.975 12.888 ( -7.903 2.678 0.967) 8.400 13.475 ( 1.857 1.075 -1.800) 2.801 17.730 ( 5.798 0.148 -1.115) 5.906 18.432 ( -4.386 2.307 5.376) 7.311 18.664 ( 5.671 -4.433 1.978) 7.465 18.862 ( 3.369 16.376 3.335) 17.048 19.984 ( -8.278 -12.731 -8.007) 17.167 21.045 ( -0.468 -0.503 -0.661) 0.954 ======================= Grid point 58 (47/172) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 0.000 -0.000 0.000) 0.000 2.153 ( -0.000 0.000 -0.000) 0.000 2.392 ( 0.000 0.000 0.000) 0.000 2.434 ( -0.000 -0.000 -0.000) 0.000 2.720 ( -0.000 -0.000 -0.000) 0.000 3.517 ( -0.000 0.000 0.000) 0.000 3.661 ( -0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 -0.000) 0.000 4.151 ( -0.000 0.000 0.000) 0.000 4.284 ( 0.000 -0.000 0.000) 0.000 4.568 ( -0.000 0.000 0.000) 0.000 5.381 ( 0.000 0.000 0.000) 0.000 5.545 ( -0.000 0.000 0.000) 0.000 6.296 ( -0.000 0.000 0.000) 0.000 7.308 ( 0.000 0.000 0.000) 0.000 8.121 ( -0.000 0.000 0.000) 0.000 8.239 ( -0.000 0.000 0.000) 0.000 9.454 ( 0.000 0.000 0.000) 0.000 10.773 ( -0.000 0.000 0.000) 0.000 11.367 ( 0.000 0.000 0.000) 0.000 11.976 ( 0.000 0.000 0.000) 0.000 12.090 ( -0.000 0.000 0.000) 0.000 12.833 ( 0.000 0.000 0.000) 0.000 13.492 ( 0.000 0.000 0.000) 0.000 17.780 ( 0.000 0.000 0.000) 0.000 18.408 ( -0.000 0.000 0.000) 0.000 18.685 ( -0.000 0.000 0.000) 0.000 19.050 ( -0.000 0.000 0.000) 0.000 19.783 ( 0.000 0.000 0.000) 0.000 21.035 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 116 (48/172) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 0.000 -0.000 23.045) 23.045 0.533 ( 0.000 -0.000 23.045) 23.045 1.154 ( 0.000 -0.000 53.283) 53.283 2.726 ( -0.000 -0.000 -1.694) 1.694 2.726 ( -0.000 0.000 -1.694) 1.694 3.035 ( -0.000 0.000 -9.684) 9.684 4.223 ( -0.000 0.000 -6.573) 6.573 4.416 ( 0.000 -0.000 7.236) 7.236 4.416 ( 0.000 -0.000 7.236) 7.236 5.177 ( -0.000 0.000 -5.882) 5.882 5.177 ( -0.000 0.000 -5.882) 5.882 5.756 ( 0.000 -0.000 2.561) 2.561 5.756 ( 0.000 -0.000 2.561) 2.561 6.525 ( -0.000 0.000 -5.220) 5.220 7.397 ( -0.000 0.000 -4.931) 4.931 7.572 ( 0.000 -0.000 4.316) 4.316 7.572 ( 0.000 -0.000 4.316) 4.316 9.615 ( 0.000 -0.000 3.466) 3.466 11.316 ( 0.000 -0.000 7.615) 7.615 11.478 ( 0.000 -0.000 1.579) 1.579 11.478 ( 0.000 -0.000 1.579) 1.579 12.261 ( -0.000 0.000 -1.396) 1.396 12.261 ( -0.000 0.000 -1.396) 1.396 12.718 ( -0.000 0.000 -2.064) 2.064 17.626 ( -0.000 0.000 -0.897) 0.897 17.626 ( -0.000 0.000 -0.897) 0.897 18.599 ( 0.000 -0.000 0.538) 0.538 18.599 ( 0.000 -0.000 0.538) 0.538 20.973 ( -0.000 0.000 -0.626) 0.626 21.108 ( 0.000 -0.000 1.468) 1.468 ======================= Grid point 117 (49/172) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 24.407 22.750 8.737) 34.490 1.071 ( 18.846 12.265 18.711) 29.252 1.634 ( 12.294 -0.269 39.715) 41.575 2.522 ( -8.530 -9.457 -4.687) 13.571 2.766 ( -3.829 3.305 -5.389) 7.391 3.071 ( 9.556 5.898 1.997) 11.405 3.836 ( -16.972 -7.021 4.827) 18.991 4.330 ( -14.269 -15.152 0.524) 20.820 4.511 ( -0.987 0.635 7.679) 7.769 5.064 ( -2.405 -0.595 -6.535) 6.989 5.214 ( 1.185 1.093 -2.067) 2.622 5.532 ( -17.392 -11.304 17.869) 27.379 5.693 ( -2.785 2.309 -1.533) 3.929 6.612 ( 8.289 1.418 -11.477) 14.228 7.342 ( -1.439 -0.723 -5.173) 5.418 7.598 ( 2.266 0.076 2.267) 3.207 7.723 ( 6.960 5.067 5.875) 10.423 9.604 ( -3.090 -1.997 5.122) 6.307 11.076 ( -17.759 -8.503 9.371) 21.806 11.388 ( -3.534 -2.361 9.571) 10.472 11.490 ( 0.408 0.702 1.700) 1.884 12.228 ( -1.762 -0.018 -2.111) 2.750 12.325 ( 7.489 1.987 -0.793) 7.789 13.166 ( 22.926 13.281 -16.472) 31.198 17.615 ( -1.708 2.850 -0.997) 3.469 17.636 ( -0.597 -1.496 1.007) 1.899 18.576 ( -0.375 1.110 0.425) 1.247 18.639 ( 3.433 -0.771 1.643) 3.883 20.980 ( 0.621 -0.153 -2.206) 2.297 21.099 ( -1.077 -0.637 0.757) 1.462 ======================= Grid point 118 (50/172) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 13.832 7.230 14.972) 21.627 1.618 ( 17.563 25.731 10.116) 32.755 2.021 ( 16.442 -8.179 13.151) 22.587 2.281 ( -6.541 -3.115 -4.180) 8.364 2.643 ( -7.587 3.403 -4.977) 9.691 3.381 ( 4.055 9.682 5.981) 12.081 3.684 ( -7.171 -4.441 2.008) 8.670 3.851 ( -6.658 -13.894 4.290) 15.993 4.541 ( -0.906 -2.691 6.520) 7.112 4.879 ( -8.937 -13.450 -1.403) 16.209 5.129 ( -14.547 3.358 2.349) 15.113 5.373 ( -6.309 -3.643 10.939) 13.143 5.714 ( 3.659 3.848 -3.382) 6.295 6.606 ( 1.163 -4.154 -9.204) 10.165 7.269 ( -1.324 -1.307 -5.674) 5.971 7.656 ( 2.601 0.690 0.736) 2.790 7.954 ( 8.604 5.692 6.598) 12.246 9.558 ( -4.197 -2.922 5.914) 7.819 10.866 ( -8.466 -1.981 3.679) 9.441 11.345 ( -5.372 -3.646 7.348) 9.806 11.530 ( 1.979 0.839 2.015) 2.946 12.175 ( -2.604 0.039 -2.298) 3.473 12.517 ( 11.129 4.001 1.133) 11.881 13.419 ( 10.711 6.017 -11.508) 16.833 17.550 ( -5.604 -5.600 5.396) 9.585 17.648 ( -0.202 5.667 -1.731) 5.929 18.620 ( 2.628 3.282 -0.973) 4.316 18.710 ( 3.938 -0.870 2.520) 4.756 20.946 ( -1.304 -1.364 -2.951) 3.503 21.083 ( -0.202 -0.317 -0.920) 0.993 ======================= Grid point 119 (51/172) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -8.628 -4.348 2.704) 10.033 2.061 ( 4.674 -0.919 19.192) 19.774 2.153 ( -1.065 2.699 -3.030) 4.195 2.354 ( 11.933 10.549 -3.541) 16.316 2.577 ( -4.567 5.528 4.150) 8.285 3.177 ( -8.034 -10.791 -0.882) 13.483 3.576 ( 4.080 5.300 -5.556) 8.696 4.240 ( 25.289 3.337 14.496) 29.339 4.443 ( -15.344 -4.898 2.091) 16.242 4.616 ( -4.024 -8.956 4.006) 10.605 4.906 ( -12.502 0.182 -2.247) 12.704 5.309 ( -6.769 -1.419 5.703) 8.964 5.809 ( 4.814 2.921 -1.015) 5.722 6.437 ( -8.103 -7.159 -6.889) 12.820 7.204 ( -0.133 -0.850 -5.701) 5.765 7.705 ( 2.191 -0.025 1.270) 2.532 8.180 ( 6.957 4.119 5.820) 9.962 9.497 ( -4.330 -3.240 5.290) 7.565 10.784 ( -3.155 1.364 0.216) 3.444 11.255 ( -5.853 -4.193 4.993) 8.762 11.596 ( 3.061 0.572 2.425) 3.947 12.115 ( -2.814 0.093 -1.943) 3.421 12.754 ( 10.260 4.316 2.617) 11.434 13.516 ( 4.947 2.698 -7.852) 9.665 17.433 ( -6.253 -6.808 7.646) 11.996 17.700 ( 1.186 5.668 -1.673) 6.028 18.690 ( 2.247 3.698 -1.010) 4.443 18.777 ( 2.488 -0.944 3.087) 4.075 20.882 ( -1.400 -1.007 -4.759) 5.062 21.072 ( 0.285 -0.371 -1.555) 1.624 ======================= Grid point 120 (52/172) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -17.835 -11.422 -2.004) 21.274 2.005 ( -12.385 -3.046 4.208) 13.431 2.149 ( 2.805 -6.496 3.847) 8.054 2.582 ( -1.583 12.818 3.767) 13.453 2.627 ( 1.258 4.885 7.323) 8.892 3.271 ( 20.882 -4.154 1.128) 21.321 3.687 ( 3.150 9.146 -6.352) 11.572 4.093 ( -15.196 -8.005 1.299) 17.224 4.470 ( -8.608 -5.489 1.492) 10.317 4.651 ( 6.096 -4.479 -0.486) 7.580 4.878 ( 11.050 10.854 -0.367) 15.493 5.213 ( -5.514 -0.850 4.087) 6.917 5.889 ( 2.597 -1.373 0.718) 3.024 6.126 ( -14.432 -5.877 -4.785) 16.301 7.178 ( 1.682 0.441 -4.125) 4.476 7.750 ( 1.764 -0.466 2.992) 3.504 8.326 ( 2.781 1.473 4.232) 5.274 9.429 ( -3.811 -2.927 3.260) 5.807 10.782 ( 0.547 3.001 -1.028) 3.219 11.152 ( -5.159 -4.167 3.610) 7.551 11.666 ( 2.629 -0.466 2.730) 3.818 12.065 ( -1.929 0.665 -1.149) 2.342 12.945 ( 5.445 2.856 2.707) 6.718 13.545 ( 2.733 1.283 -5.657) 6.413 17.337 ( -4.684 -5.826 8.651) 11.434 17.762 ( 1.736 3.713 -1.117) 4.249 18.741 ( 0.589 2.777 -0.563) 2.894 18.811 ( -0.049 -0.874 2.987) 3.113 20.825 ( 0.226 0.129 -6.891) 6.895 21.067 ( 0.691 -0.182 -1.135) 1.341 ======================= Grid point 121 (53/172) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 6.700 -4.928 6.654) 10.651 1.787 ( -12.209 0.705 -2.405) 12.464 2.160 ( 4.368 -7.905 1.621) 9.176 2.642 ( -5.371 8.469 6.352) 11.871 2.747 ( 1.446 0.029 7.994) 8.123 3.572 ( -15.613 1.939 -3.172) 16.050 3.625 ( 21.545 -4.774 0.685) 22.078 3.972 ( 1.916 -1.707 3.157) 4.069 4.249 ( -13.245 7.385 -8.732) 17.499 4.672 ( 4.310 -5.829 -0.595) 7.274 4.949 ( -1.544 -3.873 -10.520) 11.316 5.236 ( -6.452 -1.388 4.801) 8.161 5.811 ( 3.709 0.969 -4.899) 6.221 6.005 ( -1.472 2.119 3.644) 4.465 7.210 ( 3.262 1.607 -1.560) 3.957 7.794 ( 0.799 -0.649 4.361) 4.481 8.352 ( -2.558 -1.262 2.107) 3.546 9.366 ( -2.592 -1.880 0.977) 3.348 10.839 ( 3.214 3.349 -0.814) 4.713 11.060 ( -4.185 -3.642 2.887) 6.254 11.697 ( 0.145 -2.366 2.629) 3.540 12.060 ( 0.503 1.868 0.058) 1.936 13.000 ( -2.201 -0.224 0.948) 2.407 13.575 ( 3.447 1.400 -3.206) 4.911 17.296 ( -2.165 -3.645 9.034) 9.980 17.802 ( 0.833 0.863 -0.402) 1.265 18.753 ( -0.997 0.804 0.078) 1.283 18.801 ( -2.291 -0.015 1.440) 2.706 20.801 ( 2.508 1.279 -7.884) 8.372 21.077 ( 1.055 0.271 -0.292) 1.128 ======================= Grid point 122 (54/172) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 6.647 -9.421 0.278) 11.533 1.636 ( -5.249 4.342 -3.373) 7.602 2.235 ( 12.612 -2.277 4.993) 13.754 2.642 ( -6.134 3.453 2.984) 7.645 2.811 ( 1.399 -3.435 10.766) 11.387 3.278 ( -15.314 1.454 -0.650) 15.397 3.854 ( -1.309 1.883 -9.130) 9.414 4.013 ( 7.564 -8.835 6.673) 13.409 4.118 ( -4.942 13.422 -6.359) 15.653 4.547 ( -9.942 -12.818 -3.832) 16.668 4.799 ( -0.740 -2.948 -1.924) 3.597 5.094 ( -0.637 -0.378 -2.978) 3.068 6.011 ( -0.197 3.479 0.463) 3.515 6.060 ( 14.250 6.933 -3.500) 16.229 7.285 ( 3.707 1.851 0.739) 4.208 7.817 ( -1.002 -1.080 4.435) 4.673 8.247 ( -7.701 -3.822 -0.521) 8.613 9.334 ( -0.115 -0.257 0.064) 0.289 10.935 ( 4.763 3.349 -0.449) 5.840 10.984 ( -3.707 -2.912 2.836) 5.502 11.666 ( -2.212 -3.593 2.319) 4.814 12.112 ( 2.439 2.282 1.088) 3.513 12.895 ( -7.763 -2.995 -0.869) 8.366 13.633 ( 3.361 1.461 -1.450) 3.941 17.323 ( 0.402 -0.995 9.015) 9.079 17.797 ( -0.795 -1.729 0.203) 1.914 18.720 ( -2.850 -1.164 0.116) 3.081 18.766 ( -2.678 0.938 -0.502) 2.881 20.822 ( 4.327 2.145 -7.199) 8.669 21.098 ( 0.973 0.424 0.254) 1.091 ======================= Grid point 123 (55/172) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -7.039 -11.437 -3.888) 13.981 1.448 ( -13.231 -6.233 -8.291) 16.812 2.499 ( 5.256 -1.127 8.376) 9.953 2.554 ( -6.343 -7.981 2.569) 10.514 2.846 ( -5.326 0.420 6.064) 8.082 3.226 ( 7.874 4.549 -2.875) 9.538 3.536 ( -20.767 2.875 -11.328) 23.830 3.953 ( -10.153 -0.591 17.377) 20.135 4.198 ( 10.444 -10.166 -6.765) 16.069 4.494 ( 6.607 11.622 1.954) 13.511 4.816 ( 6.439 -1.151 -3.609) 7.470 5.143 ( 5.400 1.859 -1.579) 5.926 5.986 ( -4.915 -0.267 4.520) 6.682 6.345 ( 15.445 7.946 -11.333) 20.739 7.364 ( 2.598 1.001 1.885) 3.362 7.794 ( -3.573 -1.997 3.325) 5.274 8.035 ( -10.380 -5.456 -2.509) 11.993 9.363 ( 2.649 1.301 0.721) 3.038 10.917 ( -3.046 -0.852 -0.397) 3.188 11.050 ( 4.451 2.149 3.276) 5.930 11.601 ( -3.003 -3.553 2.161) 5.129 12.184 ( 2.576 1.746 1.230) 3.346 12.701 ( -9.640 -4.488 -1.467) 10.734 13.680 ( 2.076 0.918 -1.870) 2.941 17.413 ( 2.271 1.567 8.841) 9.262 17.753 ( -1.896 -2.831 0.519) 3.446 18.647 ( -3.973 -0.752 -1.643) 4.365 18.722 ( -2.373 -0.770 -0.456) 2.537 20.879 ( 5.072 2.506 -5.545) 7.921 21.115 ( 0.391 0.101 0.183) 0.443 ======================= Grid point 124 (56/172) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -9.661 -19.761 3.449) 22.265 1.026 ( -25.170 -1.634 -5.666) 25.852 2.112 ( -33.195 -21.700 9.528) 40.787 2.605 ( 7.000 -4.648 3.600) 9.142 2.707 ( -9.139 4.731 -9.637) 14.099 3.124 ( -3.210 -1.569 -4.625) 5.844 3.520 ( -0.272 0.381 6.067) 6.085 4.168 ( 12.548 7.034 15.388) 21.065 4.273 ( 8.299 5.330 4.998) 11.057 4.707 ( 7.916 3.766 -3.656) 9.498 4.946 ( 7.932 6.755 -2.238) 10.656 5.252 ( 5.517 -0.613 4.065) 6.880 5.917 ( -6.508 -0.657 4.544) 7.965 6.547 ( 12.191 4.642 -13.914) 19.073 7.408 ( 0.767 0.110 1.199) 1.428 7.706 ( -5.521 -4.153 1.872) 7.157 7.801 ( -9.063 -4.180 -2.162) 10.212 9.446 ( 3.866 1.991 1.971) 4.774 10.867 ( -2.073 0.592 0.288) 2.174 11.164 ( 3.405 1.707 5.027) 6.307 11.537 ( -2.796 -2.494 1.964) 4.230 12.240 ( 1.664 1.073 0.589) 2.066 12.491 ( -8.466 -4.924 -1.421) 9.896 13.678 ( 0.041 -0.296 -7.191) 7.197 17.542 ( 2.724 3.269 7.993) 9.055 17.698 ( -2.411 -1.573 0.763) 2.978 18.562 ( -3.213 -0.874 -2.022) 3.895 18.667 ( -2.076 -2.383 -0.153) 3.164 20.951 ( 4.674 2.154 -3.799) 6.396 21.113 ( -0.355 -0.391 -0.603) 0.802 ======================= Grid point 127 (57/172) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 6.182 5.616 12.353) 14.911 1.261 ( 1.108 21.313 20.622) 29.677 1.949 ( -4.618 9.566 30.235) 32.047 2.510 ( -6.323 -10.551 -6.812) 14.061 2.792 ( 8.878 0.558 4.906) 10.159 3.016 ( -0.837 10.163 3.386) 10.745 3.838 ( 2.217 -15.769 -1.730) 16.018 4.431 ( -4.388 -8.423 7.189) 11.912 4.648 ( -2.418 3.607 3.193) 5.391 4.950 ( 4.576 -6.241 -6.737) 10.260 5.081 ( -1.747 -11.018 -2.581) 11.451 5.592 ( 0.178 -6.487 5.900) 8.771 5.915 ( 4.178 5.889 3.245) 7.916 6.366 ( -4.690 -10.348 -10.781) 15.662 7.314 ( -0.017 1.187 -7.162) 7.259 7.644 ( -1.073 3.137 4.892) 5.910 7.745 ( 1.152 6.308 6.761) 9.318 9.641 ( -0.156 -3.600 5.500) 6.576 11.134 ( 1.366 -19.137 7.598) 20.636 11.460 ( -0.481 -3.458 9.226) 9.865 11.546 ( 0.269 2.909 3.305) 4.411 12.240 ( 2.109 0.129 -1.929) 2.861 12.293 ( -3.076 6.288 -1.438) 7.146 13.042 ( 0.142 23.158 -12.555) 26.342 17.613 ( 2.193 1.369 -1.160) 2.834 17.687 ( -0.517 6.272 -0.215) 6.297 18.581 ( 2.343 -2.359 1.806) 3.784 18.621 ( -3.131 1.372 0.493) 3.454 20.955 ( -0.327 -2.168 -1.169) 2.485 21.098 ( -0.014 -2.472 0.599) 2.544 ======================= Grid point 128 (58/172) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 30.085 9.205 5.551) 31.948 1.691 ( 9.812 10.732 23.320) 27.483 2.032 ( -4.195 4.131 1.668) 6.119 2.310 ( -3.762 -2.699 -2.750) 5.385 2.810 ( -6.040 3.488 6.929) 9.832 3.412 ( 14.720 13.730 16.862) 26.259 3.679 ( -3.477 -6.771 -4.600) 8.893 4.054 ( -26.099 -17.569 3.763) 31.686 4.595 ( -2.772 1.636 2.436) 4.037 4.839 ( -4.459 -15.266 -0.916) 15.931 5.126 ( 11.134 -4.599 -1.426) 12.131 5.600 ( -1.084 -2.129 7.638) 8.002 5.732 ( -18.667 -2.259 -3.358) 19.101 6.333 ( 14.234 -10.131 -8.622) 19.483 7.259 ( -2.307 1.687 -6.700) 7.284 7.689 ( -1.390 4.452 3.774) 5.999 7.936 ( 6.557 6.556 7.354) 11.835 9.619 ( -2.328 -4.714 5.850) 7.865 10.987 ( -5.863 -9.199 5.052) 12.021 11.438 ( -4.203 -4.582 6.954) 9.328 11.570 ( -2.330 3.341 2.949) 5.029 12.219 ( -2.807 1.184 -2.093) 3.696 12.408 ( 8.038 7.223 1.123) 10.865 13.243 ( 9.405 12.577 -10.931) 19.135 17.614 ( -2.889 -1.419 1.811) 3.693 17.744 ( -2.185 10.726 -1.295) 11.023 18.608 ( 1.665 1.287 0.509) 2.165 18.646 ( 3.778 -0.447 2.096) 4.343 20.902 ( -0.127 -6.406 -1.485) 6.577 21.073 ( -0.283 -1.296 -1.028) 1.678 ======================= Grid point 129 (59/172) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 4.054 -1.874 1.698) 4.778 1.903 ( 16.105 -8.993 9.160) 20.595 2.173 ( -1.339 2.089 2.820) 3.756 2.333 ( 9.065 23.057 -2.090) 24.863 2.846 ( -6.499 8.656 13.303) 17.150 3.325 ( -23.773 -14.731 -3.493) 28.184 3.568 ( -2.895 -1.448 -4.017) 5.159 3.994 ( 17.051 1.899 18.425) 25.175 4.559 ( -8.189 -11.487 -1.153) 14.154 4.635 ( -0.412 1.072 2.768) 2.997 5.102 ( -10.650 -2.707 -4.651) 11.933 5.408 ( -6.318 -9.805 3.636) 12.218 5.675 ( 7.186 -4.118 0.782) 8.319 6.366 ( 3.800 -4.920 -6.999) 9.361 7.188 ( -2.752 1.643 -4.762) 5.740 7.732 ( -1.095 4.447 2.515) 5.225 8.152 ( 6.549 4.359 6.778) 10.384 9.562 ( -3.509 -5.116 5.259) 8.133 10.867 ( -4.931 -2.055 2.048) 5.722 11.347 ( -5.957 -4.419 4.347) 8.597 11.597 ( 0.113 2.225 2.721) 3.516 12.162 ( -3.541 1.027 -1.790) 4.099 12.657 ( 10.487 7.286 3.521) 13.246 13.394 ( 6.510 5.704 -8.684) 12.261 17.533 ( -6.161 -3.767 5.246) 8.925 17.793 ( -3.371 11.234 -1.138) 11.784 18.685 ( 3.263 4.495 -0.257) 5.561 18.726 ( 4.261 -1.403 3.191) 5.505 20.813 ( 0.449 -8.352 -3.922) 9.238 21.053 ( 0.036 -0.313 -1.957) 1.983 ======================= Grid point 130 (60/172) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -14.349 -7.265 -5.399) 16.965 2.090 ( 1.810 -0.844 -4.282) 4.724 2.169 ( -1.699 -7.681 15.979) 17.810 2.687 ( 1.906 11.152 3.959) 11.987 2.795 ( -4.941 2.099 4.422) 6.955 3.058 ( 0.204 0.874 6.841) 6.900 3.602 ( 8.426 6.570 -6.266) 12.386 4.231 ( -9.096 -9.240 -2.326) 13.173 4.335 ( 8.962 -11.606 9.118) 17.267 4.675 ( -5.814 -1.291 -2.439) 6.436 4.872 ( -1.075 5.668 -5.297) 7.832 5.295 ( -3.349 -5.019 3.475) 6.963 5.768 ( 7.045 -6.096 3.108) 9.821 6.250 ( -7.793 -2.163 -5.745) 9.920 7.146 ( -0.767 1.796 -2.841) 3.447 7.780 ( -0.342 4.216 3.019) 5.197 8.314 ( 4.220 1.258 5.322) 6.907 9.483 ( -3.896 -4.744 3.606) 7.119 10.815 ( -1.955 1.324 0.033) 2.361 11.232 ( -5.996 -3.790 3.084) 7.735 11.648 ( 1.620 0.767 2.724) 3.261 12.105 ( -2.861 0.723 -0.936) 3.096 12.910 ( 7.571 6.683 4.370) 11.004 13.454 ( 3.766 1.719 -7.304) 8.395 17.435 ( -5.954 -4.460 7.617) 10.647 17.835 ( -3.101 10.007 -0.646) 10.497 18.768 ( 0.608 5.140 0.100) 5.177 18.796 ( 3.087 -2.362 3.953) 5.544 20.716 ( 2.327 -7.374 -7.603) 10.844 21.044 ( 0.675 0.177 -1.676) 1.816 ======================= Grid point 131 (61/172) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -9.823 -2.572 4.652) 11.170 2.011 ( -10.609 3.471 -2.390) 11.415 2.087 ( -3.419 -8.655 8.454) 12.572 2.748 ( 4.232 -4.575 6.919) 9.312 2.889 ( -5.482 9.082 4.810) 11.648 3.189 ( 13.761 -5.340 1.112) 14.802 3.781 ( -2.374 3.980 -3.521) 5.821 3.944 ( -2.597 -3.756 -1.107) 4.698 4.366 ( -0.077 -6.697 1.201) 6.805 4.547 ( 1.500 0.947 -7.299) 7.511 4.888 ( -1.734 -1.499 -8.617) 8.916 5.318 ( 1.822 2.159 5.954) 6.590 5.764 ( -2.610 -4.018 -3.566) 5.973 6.076 ( -5.110 -1.385 1.960) 5.646 7.163 ( 2.313 2.000 -1.228) 3.295 7.840 ( -0.442 4.024 3.855) 5.590 8.380 ( -0.042 -1.633 3.200) 3.593 9.400 ( -3.320 -3.466 1.628) 5.068 10.824 ( 1.188 2.394 -0.732) 2.771 11.128 ( -5.088 -3.131 3.186) 6.771 11.688 ( 0.718 -1.157 2.454) 2.806 12.079 ( -0.721 1.173 0.298) 1.409 13.057 ( -0.517 4.579 2.526) 5.255 13.480 ( 4.899 -0.064 -5.097) 7.070 17.370 ( -3.623 -4.123 8.687) 10.276 17.868 ( -3.353 7.835 0.672) 8.549 18.796 ( -2.003 2.659 0.180) 3.334 18.829 ( 0.201 -2.268 3.803) 4.433 20.657 ( 5.163 -4.217 -10.149) 12.142 21.056 ( 1.337 0.589 -0.912) 1.723 ======================= Grid point 132 (62/172) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 2.291 1.024 10.241) 10.544 1.852 ( -12.931 3.914 3.362) 13.922 2.066 ( 7.071 -1.789 1.963) 7.554 2.815 ( -4.467 3.636 -0.350) 5.770 2.835 ( -2.920 -5.677 11.755) 13.377 3.397 ( 22.419 -12.253 -5.735) 26.185 3.488 ( -14.700 -6.003 -4.513) 16.507 4.073 ( 1.424 1.570 8.582) 8.840 4.356 ( -2.853 12.807 -3.751) 13.647 4.505 ( -2.850 -2.615 -9.976) 10.700 4.775 ( 0.174 -0.393 -5.188) 5.206 5.196 ( -15.646 -5.520 2.601) 16.793 5.803 ( 13.605 5.420 -9.826) 17.635 6.065 ( -0.270 -2.663 6.697) 7.212 7.235 ( 4.256 1.763 0.081) 4.607 7.885 ( -1.896 3.264 3.815) 5.367 8.321 ( -5.398 -3.929 0.493) 6.695 9.341 ( -1.466 -1.660 0.652) 2.308 10.885 ( 3.690 2.747 -1.328) 4.788 11.051 ( -3.980 -2.844 4.755) 6.822 11.677 ( -1.423 -2.783 1.956) 3.687 12.109 ( 1.666 1.766 1.398) 2.802 13.008 ( -8.009 0.722 -1.181) 8.128 13.552 ( 5.832 0.527 -2.118) 6.227 17.361 ( -0.291 -3.824 8.603) 9.419 17.878 ( -4.772 5.596 2.830) 7.880 18.755 ( -3.349 -1.193 -0.322) 3.569 18.818 ( -2.077 -0.895 1.947) 2.984 20.668 ( 7.340 -0.377 -9.909) 12.337 21.082 ( 1.468 0.670 -0.442) 1.673 ======================= Grid point 133 (63/172) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -9.153 -4.852 4.107) 11.144 1.672 ( -14.541 3.444 0.035) 14.943 2.368 ( 15.210 4.081 8.416) 17.856 2.636 ( -9.620 -5.776 1.014) 11.266 2.949 ( 4.726 3.489 9.554) 11.215 3.194 ( -9.092 -5.409 -6.273) 12.299 3.589 ( 20.208 -12.370 -10.740) 26.014 3.962 ( -17.831 -5.171 -0.153) 18.566 4.250 ( -10.780 5.342 3.660) 12.575 4.584 ( 6.233 12.521 5.363) 14.979 4.737 ( -2.884 -2.312 -0.279) 3.706 5.053 ( 3.593 1.239 -2.212) 4.397 5.989 ( 9.515 -4.360 -7.489) 12.870 6.116 ( 5.347 6.751 -0.381) 8.621 7.322 ( 4.130 0.626 0.329) 4.190 7.882 ( -4.267 1.407 2.518) 5.151 8.145 ( -9.766 -4.566 -1.089) 10.836 9.339 ( 1.606 -0.161 1.286) 2.063 10.936 ( 0.081 2.274 -4.777) 5.291 11.042 ( 1.584 -2.236 9.352) 9.745 11.627 ( -2.542 -3.011 1.773) 4.321 12.173 ( 2.394 1.535 1.556) 3.242 12.827 ( -10.807 -1.696 -2.637) 11.253 13.624 ( 3.495 0.770 -2.320) 4.265 17.405 ( 3.282 -4.437 7.455) 9.276 17.861 ( -6.276 4.309 5.313) 9.284 18.671 ( -3.117 -2.795 -2.030) 4.653 18.773 ( -3.560 -0.296 0.484) 3.605 20.744 ( 7.720 2.519 -7.636) 11.147 21.104 ( 0.919 0.301 -0.558) 1.116 ======================= Grid point 134 (64/172) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -11.657 -0.855 11.932) 16.703 1.439 ( -20.267 8.269 -0.621) 21.898 2.402 ( -13.089 -10.050 2.990) 16.771 2.552 ( -0.209 -0.344 5.063) 5.079 2.855 ( -14.696 -2.098 -12.053) 19.122 3.190 ( -1.061 3.013 6.037) 6.830 3.565 ( -2.142 2.029 1.239) 3.200 3.834 ( 18.354 -16.101 -3.960) 24.734 4.311 ( 5.392 4.313 15.897) 17.332 4.631 ( -1.803 -1.009 -0.990) 2.291 4.934 ( 9.857 14.368 2.932) 17.669 5.172 ( 6.612 -0.124 3.995) 7.726 5.950 ( 0.144 -9.133 -1.461) 9.250 6.325 ( 10.738 12.400 -10.390) 19.417 7.374 ( 2.566 -1.274 -0.971) 3.025 7.791 ( -7.138 -2.451 -0.330) 7.555 7.943 ( -10.275 -0.748 1.401) 10.397 9.405 ( 4.141 0.320 2.707) 4.958 10.899 ( -1.619 0.218 -1.965) 2.555 11.151 ( 4.439 -0.790 7.984) 9.170 11.570 ( -2.638 -2.288 1.741) 3.902 12.229 ( 1.919 0.624 0.754) 2.154 12.604 ( -11.071 -2.032 -2.496) 11.530 13.635 ( -0.226 0.896 -6.023) 6.093 17.481 ( 5.938 -5.667 5.416) 9.833 17.831 ( -6.450 2.720 5.923) 9.170 18.586 ( -2.487 -1.318 -1.864) 3.376 18.706 ( -4.160 -0.131 -0.457) 4.187 20.852 ( 6.534 3.836 -4.874) 9.009 21.107 ( 0.034 -0.173 -1.072) 1.086 ======================= Grid point 137 (65/172) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -27.948 4.270 4.954) 28.703 1.637 ( -7.049 14.619 19.485) 25.359 2.256 ( -4.104 4.865 9.591) 11.510 2.423 ( -2.016 -10.751 -6.873) 12.919 2.607 ( 16.363 7.918 8.372) 20.013 3.296 ( -5.785 5.546 10.929) 13.552 3.681 ( -1.655 -4.587 0.769) 4.937 4.166 ( 21.661 -9.339 1.678) 23.648 4.692 ( 4.632 3.180 6.233) 8.391 4.895 ( -4.903 -5.217 -6.537) 9.695 5.000 ( -3.858 -17.253 2.427) 17.844 5.596 ( -0.894 -1.081 4.535) 4.747 5.645 ( 17.861 -6.832 -0.119) 19.124 6.444 ( -12.757 -5.045 -10.110) 17.041 7.265 ( 1.918 2.045 -6.732) 7.293 7.714 ( 1.570 6.168 4.420) 7.749 7.909 ( -6.981 5.324 6.862) 11.143 9.625 ( 2.044 -4.267 5.676) 7.389 10.939 ( 7.113 -11.475 5.663) 14.640 11.457 ( 4.114 -4.207 8.055) 9.975 11.581 ( 1.679 4.899 3.756) 6.397 12.178 ( 2.919 -0.401 -2.951) 4.170 12.457 ( -8.074 8.236 0.634) 11.551 13.243 ( -9.531 12.851 -11.334) 19.608 17.600 ( 0.457 3.024 -1.410) 3.368 17.715 ( 5.557 4.358 5.211) 8.777 18.563 ( -1.625 -0.651 -0.507) 1.822 18.703 ( -3.896 1.724 0.755) 4.327 20.910 ( -0.002 -6.117 -2.168) 6.490 21.077 ( 0.088 -0.838 -0.939) 1.262 ======================= Grid point 138 (66/172) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 8.168 16.244 7.244) 19.572 1.842 ( -0.592 0.468 23.629) 23.641 2.156 ( -6.450 7.077 -9.310) 13.356 2.325 ( -1.204 1.204 0.809) 1.885 2.872 ( 5.326 -2.786 8.006) 10.012 3.554 ( 4.371 16.641 21.539) 27.568 3.596 ( 0.450 -5.257 -5.210) 7.415 4.245 ( -6.963 -17.371 2.297) 18.855 4.645 ( -4.232 -5.584 -0.395) 7.018 4.743 ( -1.591 -13.295 0.007) 13.390 4.890 ( 6.145 -1.305 2.326) 6.698 5.534 ( 1.550 -4.274 -10.267) 11.229 5.860 ( 8.967 -21.451 -1.054) 23.273 6.092 ( -11.207 4.484 0.615) 12.086 7.265 ( -0.230 3.815 -6.271) 7.344 7.818 ( -2.675 6.335 5.676) 8.916 7.969 ( 2.508 6.530 6.370) 9.461 9.628 ( -0.308 -5.782 5.197) 7.781 10.942 ( 2.225 -10.256 4.078) 11.259 11.485 ( -1.202 -5.134 6.001) 7.988 11.675 ( -1.320 4.651 4.191) 6.398 12.208 ( 2.600 -0.340 -2.420) 3.568 12.450 ( -2.093 9.631 1.001) 9.907 13.228 ( 0.069 13.726 -8.966) 16.395 17.644 ( 0.403 2.812 -0.372) 2.865 17.879 ( 0.508 12.635 2.663) 12.923 18.556 ( 2.435 -2.655 1.166) 3.787 18.665 ( -1.982 2.486 0.423) 3.208 20.806 ( -0.164 -12.017 -1.683) 12.135 21.060 ( -0.314 -0.361 -1.541) 1.613 ======================= Grid point 139 (67/172) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 20.098 14.332 5.212) 25.229 1.787 ( -5.553 -9.574 3.874) 11.726 2.242 ( -1.559 -2.578 9.301) 9.777 2.413 ( 6.141 24.097 -1.562) 24.916 2.993 ( 5.487 -1.094 9.311) 10.863 3.497 ( -3.073 -1.201 -8.578) 9.191 3.590 ( -22.152 -16.515 3.379) 27.836 4.057 ( 0.978 3.160 18.528) 18.821 4.510 ( -3.060 -15.339 -0.824) 15.663 4.657 ( 0.392 0.078 -0.584) 0.708 5.071 ( 9.760 1.255 2.731) 10.212 5.274 ( -5.227 -20.327 -19.746) 28.817 5.676 ( -4.467 -7.387 9.954) 13.175 6.188 ( 7.479 1.384 -2.169) 7.909 7.239 ( -2.668 3.811 -3.836) 6.030 7.851 ( -3.841 6.117 3.981) 8.248 8.142 ( 5.217 4.466 5.908) 9.059 9.585 ( -1.860 -6.255 4.467) 7.909 10.896 ( -0.842 -5.539 2.129) 5.994 11.420 ( -4.500 -4.502 3.424) 7.228 11.685 ( -4.288 3.776 3.420) 6.659 12.201 ( -1.274 0.137 -2.149) 2.502 12.607 ( 7.416 9.196 3.168) 12.231 13.322 ( 3.430 9.038 -7.170) 12.036 17.632 ( -4.360 0.329 2.050) 4.829 17.990 ( -4.877 15.130 0.814) 15.917 18.611 ( 5.965 -2.105 1.234) 6.445 18.714 ( 2.307 4.759 1.561) 5.514 20.661 ( 0.861 -15.460 -3.081) 15.788 21.040 ( -0.341 0.090 -1.957) 1.988 ======================= Grid point 140 (68/172) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -9.045 -2.258 -3.761) 10.052 1.949 ( 12.030 7.010 -0.593) 13.936 2.236 ( -1.382 -4.491 15.292) 15.998 2.786 ( 7.433 17.519 3.493) 19.348 2.952 ( -21.762 -14.776 -0.873) 26.318 3.159 ( 3.138 -0.249 4.629) 5.598 3.496 ( 4.253 2.949 -1.576) 5.410 4.184 ( 0.117 -4.648 10.379) 11.373 4.293 ( -6.161 -10.699 -1.607) 12.450 4.666 ( -0.174 -7.017 -3.737) 7.952 4.843 ( -2.741 -9.526 -13.712) 16.920 5.267 ( 4.882 1.053 3.496) 6.096 5.674 ( 2.600 -5.286 9.326) 11.031 6.245 ( 1.011 0.475 -5.500) 5.613 7.203 ( -3.561 3.258 -0.961) 4.921 7.877 ( -2.632 6.106 2.931) 7.267 8.288 ( 4.437 1.006 4.729) 6.563 9.514 ( -2.982 -5.757 3.163) 7.214 10.850 ( -1.515 -1.596 0.451) 2.246 11.315 ( -5.684 -3.313 2.024) 6.884 11.683 ( -2.030 2.292 3.090) 4.350 12.153 ( -2.872 0.307 -1.470) 3.241 12.870 ( 9.930 7.991 4.481) 13.511 13.381 ( 1.648 4.078 -6.543) 7.884 17.553 ( -6.566 -1.416 4.316) 7.985 18.032 ( -6.625 13.556 0.602) 15.100 18.711 ( 6.621 -2.928 2.573) 7.683 18.819 ( 1.182 6.991 1.244) 7.198 20.512 ( 3.213 -14.838 -6.118) 16.368 21.028 ( 0.218 0.514 -1.712) 1.801 ======================= Grid point 141 (69/172) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -11.897 2.102 0.875) 12.113 2.046 ( -0.397 -0.629 -0.107) 0.752 2.299 ( -9.039 0.371 12.400) 15.349 2.565 ( 1.624 -12.725 -0.995) 12.867 2.996 ( 0.053 1.136 5.993) 6.100 3.196 ( -2.298 2.152 -0.055) 3.149 3.711 ( 11.749 8.987 0.181) 14.794 3.998 ( -11.439 -7.875 -6.250) 15.230 4.219 ( 4.343 -10.243 4.842) 12.133 4.489 ( 0.749 -2.673 -8.976) 9.396 4.815 ( 3.758 -2.312 -5.328) 6.918 5.334 ( 1.009 1.650 2.693) 3.316 5.749 ( 1.661 -3.144 6.001) 6.975 6.158 ( -5.966 -0.684 -3.868) 7.143 7.179 ( -1.954 2.389 0.333) 3.105 7.926 ( -1.110 6.062 2.826) 6.780 8.367 ( 2.042 -2.052 3.123) 4.259 9.429 ( -3.215 -4.287 1.588) 5.589 10.827 ( -0.186 0.243 -0.543) 0.623 11.208 ( -5.400 -2.300 2.008) 6.203 11.699 ( -0.612 0.621 2.637) 2.777 12.107 ( -1.728 0.128 -0.345) 1.767 13.116 ( 5.275 7.623 4.603) 10.351 13.368 ( 1.510 -0.631 -6.440) 6.644 17.465 ( -5.720 -2.331 5.337) 8.163 18.051 ( -6.147 11.125 1.769) 12.833 18.792 ( 4.157 -3.740 3.559) 6.629 18.869 ( -2.723 3.676 0.525) 4.604 20.424 ( 6.831 -8.827 -8.747) 14.181 21.036 ( 1.045 0.908 -1.047) 1.736 ======================= Grid point 142 (70/172) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -2.417 6.445 10.512) 12.565 2.006 ( -0.934 -2.796 1.755) 3.431 2.123 ( -12.249 -1.344 4.874) 13.251 2.668 ( 13.679 -3.232 -1.110) 14.100 2.962 ( -4.120 -7.811 5.665) 10.492 3.127 ( -3.729 -2.015 -1.860) 4.629 3.616 ( -13.553 -7.003 -5.659) 16.271 4.041 ( 10.333 4.252 4.964) 12.227 4.275 ( 8.561 -3.610 -1.208) 9.369 4.504 ( 3.760 3.592 -5.247) 7.387 4.778 ( -3.372 6.780 -8.620) 11.474 5.380 ( -1.835 -3.505 5.025) 6.395 5.674 ( -5.498 1.774 -7.572) 9.524 6.080 ( -0.361 -3.932 5.898) 7.098 7.198 ( 1.746 1.434 0.385) 2.292 7.979 ( -1.694 4.954 2.377) 5.750 8.351 ( -2.225 -4.057 0.927) 4.719 9.358 ( -2.236 -2.240 0.613) 3.224 10.845 ( 2.354 0.817 -0.758) 2.604 11.125 ( -4.344 -1.973 3.031) 5.653 11.697 ( -1.614 -0.640 1.678) 2.415 12.103 ( 1.076 -0.014 0.827) 1.357 13.153 ( -8.064 2.968 -1.312) 8.692 13.425 ( 8.536 0.255 -1.113) 8.612 17.400 ( -3.214 -3.192 4.907) 6.679 18.064 ( -5.995 7.770 4.256) 10.697 18.801 ( -4.027 -2.090 -2.181) 5.034 18.830 ( 0.245 -3.387 4.142) 5.356 20.455 ( 9.362 -0.317 -8.572) 12.697 21.061 ( 1.442 0.949 -0.625) 1.836 ======================= Grid point 143 (71/172) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -9.806 2.826 9.126) 13.691 1.928 ( -10.576 1.438 3.419) 11.207 2.175 ( 17.414 -0.838 3.294) 17.743 2.747 ( -7.555 -3.284 -5.327) 9.810 2.907 ( 6.339 -2.025 7.786) 10.242 3.098 ( 10.713 -8.050 -4.088) 14.010 3.325 ( -12.764 -2.626 0.227) 13.033 4.120 ( -5.229 -7.016 3.987) 9.616 4.382 ( 4.669 2.726 -9.181) 10.655 4.590 ( 4.000 11.555 -0.060) 12.228 4.788 ( 0.184 6.143 -0.096) 6.147 5.167 ( -16.595 -2.686 5.656) 17.737 5.698 ( 11.031 2.487 -13.680) 17.748 6.121 ( 2.902 -2.834 8.375) 9.306 7.256 ( 3.727 0.210 -0.422) 3.757 7.978 ( -4.028 1.280 0.576) 4.266 8.241 ( -6.401 -3.123 -0.021) 7.123 9.329 ( 0.034 -0.684 1.072) 1.272 10.898 ( 3.078 1.395 -2.454) 4.176 11.076 ( -1.840 -2.942 5.904) 6.849 11.661 ( -2.717 -0.781 0.918) 2.972 12.143 ( 2.867 -0.638 1.045) 3.117 12.984 ( -10.963 -0.035 -2.601) 11.268 13.550 ( 5.415 1.407 -0.726) 5.641 17.367 ( 0.072 -4.579 3.739) 5.912 18.053 ( -6.464 2.977 6.405) 9.574 18.680 ( -3.685 -3.105 -3.349) 5.868 18.817 ( -1.616 -2.429 2.683) 3.964 20.587 ( 9.269 5.355 -6.341) 12.442 21.086 ( 1.123 0.526 -0.775) 1.462 ======================= Grid point 144 (72/172) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -10.527 4.726 12.101) 16.721 1.805 ( -12.212 8.369 1.584) 14.888 2.435 ( 6.836 -3.590 -10.020) 12.650 2.560 ( -2.173 -6.992 13.093) 15.001 2.916 ( -5.707 -8.376 -9.072) 13.602 3.150 ( 12.188 -6.929 -5.700) 15.134 3.373 ( 6.306 11.911 12.993) 18.720 3.873 ( -17.050 -2.136 -1.128) 17.220 4.357 ( 0.339 0.473 0.726) 0.930 4.694 ( -7.094 -3.391 1.767) 8.059 4.891 ( 9.842 3.921 8.763) 13.749 5.117 ( 3.633 4.712 2.570) 6.481 5.778 ( 6.774 1.137 -12.446) 14.216 6.254 ( 7.455 3.667 4.125) 9.276 7.301 ( 2.944 -1.210 -2.426) 4.002 7.868 ( -6.421 -3.719 -1.921) 7.665 8.117 ( -8.063 1.466 2.256) 8.501 9.364 ( 2.931 -0.303 2.724) 4.013 10.900 ( -0.884 -0.010 -3.682) 3.787 11.117 ( 3.893 -3.002 7.807) 9.226 11.612 ( -3.043 -0.359 0.564) 3.115 12.186 ( 2.860 -1.919 0.078) 3.445 12.780 ( -11.820 0.829 -1.247) 11.915 13.608 ( 1.320 1.683 -3.337) 3.964 17.371 ( 3.676 -5.841 3.250) 7.629 17.980 ( -7.000 -3.406 4.100) 8.798 18.609 ( -1.585 1.318 -0.563) 2.137 18.770 ( -3.491 -1.054 1.084) 3.805 20.752 ( 7.519 6.923 -4.131) 11.024 21.094 ( 0.426 0.029 -1.230) 1.302 ======================= Grid point 147 (73/172) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -19.469 -3.877 2.757) 20.041 2.005 ( -9.355 9.628 10.744) 17.195 2.236 ( 6.997 0.668 0.779) 7.072 2.315 ( -1.544 -10.186 -0.790) 10.333 2.664 ( 6.137 14.379 13.605) 20.725 3.288 ( 3.887 -4.196 -3.089) 6.501 3.552 ( 10.869 -6.703 0.402) 12.776 4.170 ( -14.207 8.046 11.644) 20.054 4.595 ( 9.086 -6.761 3.011) 11.719 4.793 ( 5.825 -2.106 -2.525) 6.689 4.901 ( 6.089 -5.955 -3.165) 9.086 5.343 ( 5.426 -12.930 4.325) 14.675 5.683 ( -7.576 -2.782 1.829) 8.275 6.440 ( 0.404 -3.253 -9.804) 10.338 7.202 ( 2.598 1.977 -5.187) 6.129 7.779 ( 2.017 6.927 4.410) 8.456 8.130 ( -8.166 3.624 5.763) 10.632 9.576 ( 3.435 -4.253 5.024) 7.425 10.795 ( 4.054 -5.424 3.014) 7.412 11.372 ( 6.627 -3.541 5.254) 9.169 11.645 ( 0.427 5.378 4.551) 7.059 12.103 ( 2.178 -1.676 -3.044) 4.101 12.697 ( -9.141 8.121 2.513) 12.483 13.395 ( -6.653 5.884 -9.133) 12.740 17.611 ( 2.239 -0.065 0.662) 2.336 17.696 ( 6.419 7.405 8.369) 12.887 18.606 ( -4.406 0.466 -2.425) 5.051 18.782 ( -2.950 0.748 1.573) 3.426 20.815 ( -0.263 -8.088 -4.920) 9.471 21.066 ( -0.029 0.463 -1.678) 1.740 ======================= Grid point 148 (74/172) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -12.017 14.496 6.956) 20.073 2.004 ( -7.474 -7.504 9.282) 14.083 2.200 ( 1.850 3.384 -0.124) 3.858 2.390 ( 3.474 7.312 2.314) 8.420 2.870 ( -3.730 2.897 5.753) 7.443 3.407 ( 13.562 1.358 -1.404) 13.702 3.696 ( 11.054 -8.894 11.634) 18.348 4.142 ( -4.900 -0.474 7.309) 8.812 4.561 ( 0.332 -18.383 -0.529) 18.393 4.700 ( -4.267 -5.804 -5.069) 8.808 4.957 ( 0.239 7.548 0.344) 7.560 5.241 ( 3.704 -20.460 -10.019) 23.081 5.648 ( 2.892 -5.299 6.963) 9.216 6.288 ( -8.291 0.394 -4.155) 9.282 7.244 ( 2.449 3.671 -4.355) 6.200 7.934 ( 2.105 7.634 6.234) 10.079 8.082 ( -5.089 3.797 4.261) 7.647 9.597 ( 1.199 -5.861 4.145) 7.278 10.829 ( 3.804 -6.454 3.169) 8.134 11.455 ( 3.369 -4.928 4.390) 7.410 11.757 ( 1.109 6.304 4.863) 8.038 12.120 ( 4.111 -0.991 -3.450) 5.458 12.643 ( -8.361 8.376 2.401) 12.076 13.319 ( -3.354 9.240 -7.784) 12.539 17.653 ( 1.957 3.816 -1.242) 4.465 17.993 ( 6.349 13.472 10.275) 18.094 18.531 ( -2.126 -0.550 -2.464) 3.301 18.732 ( -3.591 0.453 0.577) 3.665 20.661 ( -0.795 -14.910 -4.207) 15.513 21.055 ( -0.388 0.372 -1.788) 1.867 ======================= Grid point 149 (75/172) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 5.105 20.629 5.270) 21.895 1.861 ( -5.492 -1.618 2.904) 6.419 2.294 ( 0.857 -4.794 12.537) 13.450 2.567 ( 2.487 19.741 -0.591) 19.906 2.848 ( 4.641 -8.450 2.139) 9.875 3.497 ( -0.374 0.735 -2.674) 2.798 3.860 ( -23.613 -12.956 2.412) 27.042 3.987 ( 17.750 -8.412 11.284) 22.653 4.388 ( 0.388 -13.942 0.294) 13.950 4.614 ( 1.156 -6.364 -1.965) 6.760 4.967 ( -0.648 -20.175 -17.606) 26.785 5.067 ( 1.328 11.788 4.675) 12.750 5.668 ( 1.493 -8.974 6.267) 11.047 6.197 ( -3.463 4.766 -0.026) 5.892 7.271 ( 0.008 3.469 -3.448) 4.891 8.009 ( -4.312 4.895 5.011) 8.226 8.146 ( 3.429 4.192 3.735) 6.578 9.571 ( -0.372 -6.154 3.452) 7.066 10.840 ( 2.153 -5.118 1.876) 5.860 11.448 ( -1.249 -4.571 2.417) 5.319 11.826 ( -3.576 4.900 3.708) 7.110 12.157 ( 3.677 -0.963 -3.055) 4.877 12.654 ( -0.940 8.113 2.710) 8.605 13.342 ( 0.215 9.167 -5.501) 10.693 17.701 ( -0.657 3.245 -0.101) 3.312 18.242 ( -3.203 18.159 5.472) 19.234 18.508 ( 2.988 -2.280 -1.452) 4.029 18.732 ( 2.045 3.226 2.062) 4.341 20.457 ( 0.038 -19.771 -3.661) 20.108 21.037 ( -0.556 0.308 -1.768) 1.879 ======================= Grid point 150 (76/172) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -2.621 3.970 -5.194) 7.043 1.974 ( 1.621 16.763 6.632) 18.100 2.322 ( -0.886 -4.359 13.857) 14.553 2.830 ( 7.293 12.690 4.309) 15.257 2.909 ( 12.520 -12.094 -1.025) 17.437 3.236 ( -24.713 -9.629 -8.572) 27.873 3.524 ( -2.643 -0.695 6.877) 7.400 4.183 ( 5.597 -7.789 0.825) 9.627 4.283 ( -1.143 -8.581 4.900) 9.947 4.518 ( 1.102 -12.084 -5.928) 13.505 4.652 ( -3.242 -11.277 -9.878) 15.338 5.268 ( 4.306 9.108 3.625) 10.707 5.652 ( 1.536 -6.933 7.380) 10.242 6.219 ( 0.310 4.008 -2.423) 4.694 7.268 ( -1.512 2.603 -1.758) 3.486 8.011 ( -3.969 4.790 3.261) 7.023 8.257 ( 3.603 0.895 3.094) 4.833 9.519 ( -1.775 -5.396 2.528) 6.218 10.833 ( 0.825 -3.128 0.458) 3.268 11.377 ( -3.915 -3.022 0.941) 5.034 11.803 ( -5.845 3.634 3.033) 7.521 12.164 ( 0.274 -0.766 -2.460) 2.591 12.807 ( 7.914 6.296 3.002) 10.549 13.387 ( -0.357 6.271 -4.193) 7.552 17.677 ( -5.386 1.515 1.559) 5.808 18.307 ( -8.983 14.634 1.346) 17.224 18.566 ( 7.622 -3.052 -0.864) 8.256 18.873 ( 3.216 8.420 3.034) 9.510 20.256 ( 2.822 -20.124 -3.546) 20.628 21.023 ( -0.203 0.638 -1.386) 1.539 ======================= Grid point 151 (77/172) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -7.641 4.109 -3.140) 9.227 2.084 ( -3.162 3.917 2.383) 5.570 2.423 ( 1.763 1.539 9.275) 9.566 2.652 ( -19.969 -12.626 2.879) 23.800 2.987 ( 6.088 -8.790 2.932) 11.087 3.105 ( 6.824 4.749 -4.174) 9.303 3.611 ( 8.331 3.295 0.129) 8.960 4.067 ( -8.728 -4.280 -6.541) 11.717 4.184 ( -2.547 -5.296 0.980) 5.958 4.385 ( -1.050 -4.315 -0.302) 4.451 4.625 ( 10.683 -5.527 -2.009) 12.195 5.361 ( -0.637 1.478 0.860) 1.825 5.717 ( 4.669 -3.616 7.779) 9.767 6.209 ( -3.095 3.079 -4.794) 6.484 7.245 ( -2.727 1.335 -0.403) 3.063 8.027 ( -2.095 5.134 2.431) 6.055 8.323 ( 2.789 -2.216 2.064) 4.117 9.449 ( -2.761 -3.851 1.314) 4.917 10.816 ( 0.234 -1.823 -0.599) 1.933 11.285 ( -4.830 -1.571 0.522) 5.106 11.769 ( -3.975 2.401 2.775) 5.410 12.126 ( -1.561 -1.013 -1.656) 2.491 13.044 ( 11.568 3.882 2.414) 12.438 13.375 ( -3.607 3.320 -3.347) 5.936 17.590 ( -7.234 0.017 2.366) 7.611 18.292 ( -8.233 11.267 0.922) 13.985 18.665 ( 8.122 -4.361 0.340) 9.225 18.955 ( -2.917 3.423 0.179) 4.501 20.162 ( 7.630 -10.787 -2.977) 13.544 21.026 ( 0.509 1.144 -0.723) 1.446 ======================= Grid point 152 (78/172) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -3.108 1.960 1.315) 3.903 2.043 ( -4.110 -2.223 1.845) 5.024 2.229 ( -10.025 -11.500 -1.359) 15.316 2.615 ( 0.361 8.949 8.583) 12.405 2.951 ( -1.398 -9.430 4.850) 10.696 3.133 ( 0.255 -3.514 -7.793) 8.553 3.725 ( -4.522 -0.742 -3.807) 5.958 3.916 ( 6.759 1.991 -2.894) 7.617 4.148 ( 0.446 -3.582 4.343) 5.648 4.419 ( 4.607 2.890 -0.353) 5.450 4.777 ( 8.770 6.662 -4.456) 11.881 5.343 ( -0.140 -3.094 1.156) 3.306 5.767 ( -1.788 -2.599 2.778) 4.203 6.117 ( -5.523 0.165 -1.611) 5.755 7.210 ( -1.583 0.222 0.110) 1.602 8.063 ( -1.459 4.103 1.605) 4.641 8.331 ( 0.624 -4.008 0.547) 4.093 9.382 ( -2.599 -1.727 0.359) 3.141 10.808 ( 1.414 -1.239 -0.718) 2.012 11.199 ( -4.620 -0.991 0.862) 4.803 11.749 ( -2.955 1.335 1.741) 3.681 12.087 ( -0.098 -1.662 -0.557) 1.755 13.246 ( 5.144 -3.440 -3.333) 7.029 13.316 ( -1.264 6.744 2.264) 7.226 17.483 ( -6.514 -1.351 1.739) 6.876 18.263 ( -6.820 5.924 2.348) 9.334 18.734 ( 4.914 -5.324 -0.728) 7.282 18.865 ( -4.901 -3.742 -0.518) 6.188 20.260 ( 10.040 2.498 -2.185) 10.574 21.048 ( 0.951 1.266 -0.271) 1.607 ======================= Grid point 153 (79/172) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 6.014 -2.320 5.965) 8.783 1.892 ( -3.572 -12.125 -4.732) 13.497 2.089 ( -2.809 3.607 4.345) 6.307 2.721 ( -0.200 3.643 -9.447) 10.127 2.882 ( 0.382 -12.597 12.819) 17.977 3.016 ( -2.397 1.026 -4.574) 5.265 3.583 ( -12.556 8.618 4.961) 16.016 4.083 ( 9.167 -5.451 0.291) 10.669 4.162 ( 5.509 -3.182 -4.460) 7.769 4.559 ( 7.120 6.471 0.358) 9.628 4.929 ( -1.536 14.913 -3.875) 15.485 5.331 ( 1.940 -6.443 1.159) 6.828 5.632 ( -10.631 3.976 -4.114) 12.073 6.075 ( 2.500 -5.846 5.634) 8.495 7.209 ( 1.399 -0.262 -0.193) 1.437 8.043 ( -3.946 -1.324 -0.423) 4.183 8.290 ( -1.885 -1.384 -0.069) 2.340 9.341 ( -1.348 -0.193 0.356) 1.407 10.835 ( 3.423 -0.677 -0.565) 3.535 11.127 ( -3.599 -1.738 1.815) 4.390 11.715 ( -3.184 0.752 0.207) 3.278 12.088 ( 2.310 -2.265 0.268) 3.246 13.126 ( -7.811 -1.602 -2.020) 8.226 13.470 ( 6.285 3.254 0.867) 7.130 17.379 ( -4.176 -3.170 0.553) 5.272 18.194 ( -5.946 -3.446 3.191) 7.577 18.680 ( -2.035 -1.824 -3.878) 4.744 18.817 ( 0.448 -3.415 3.361) 4.813 20.469 ( 9.288 9.049 -1.978) 13.117 21.071 ( 0.775 0.818 -0.396) 1.195 ======================= Grid point 154 (80/172) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -10.151 3.182 8.475) 13.601 1.774 ( 15.881 -20.086 -4.578) 26.012 2.207 ( 3.476 10.937 -1.889) 11.631 2.574 ( -1.337 -9.249 -2.571) 9.692 2.859 ( -1.809 -8.168 4.842) 9.666 3.013 ( -1.115 2.764 -2.829) 4.109 3.631 ( -4.109 19.037 10.994) 22.364 4.039 ( -5.468 -2.721 1.463) 6.280 4.227 ( 9.005 -6.589 -6.828) 13.082 4.736 ( 4.392 3.697 -0.867) 5.806 4.941 ( -5.989 7.203 0.553) 9.384 5.210 ( -8.741 -4.415 5.488) 11.226 5.635 ( 6.163 10.204 -7.952) 14.329 6.153 ( 8.185 -6.074 6.378) 12.024 7.233 ( 2.101 -0.433 -1.857) 2.838 7.909 ( -5.897 -5.571 -2.113) 8.383 8.250 ( -4.007 2.161 1.262) 4.725 9.344 ( 1.075 -0.017 1.702) 2.013 10.873 ( 1.543 -0.228 -2.260) 2.746 11.090 ( 0.452 -3.299 4.241) 5.392 11.667 ( -3.103 0.572 -0.551) 3.203 12.111 ( 2.913 -2.741 0.015) 3.999 12.967 ( -9.532 0.473 0.343) 9.550 13.571 ( 3.106 2.131 -1.778) 4.165 17.305 ( -0.195 -4.855 0.888) 4.940 18.046 ( -5.916 -9.097 1.036) 10.901 18.654 ( -0.814 3.723 0.476) 3.840 18.806 ( -1.206 -2.388 2.287) 3.520 20.685 ( 7.224 9.598 -2.426) 12.255 21.080 ( 0.301 0.241 -0.899) 0.978 ======================= Grid point 157 (81/172) ======================= q-point: ( 0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 12.088 -6.012 4.863) 14.350 2.062 ( 7.315 -6.526 -0.194) 9.805 2.264 ( -0.206 -4.747 3.893) 6.142 2.350 ( -12.812 2.927 -2.049) 13.301 2.709 ( 7.662 4.178 18.115) 20.107 3.345 ( -7.389 14.717 1.864) 16.573 3.480 ( -5.883 -3.398 -4.455) 8.125 4.218 ( 10.415 -12.816 0.403) 16.519 4.523 ( 13.351 -13.071 -5.058) 19.356 4.679 ( -13.737 3.860 1.607) 14.359 4.791 ( 1.541 7.751 -0.662) 7.930 5.236 ( 2.182 -6.296 3.760) 7.651 5.806 ( -8.586 -4.474 3.865) 10.425 6.234 ( 12.144 -3.482 -8.541) 15.250 7.158 ( 0.858 1.882 -3.296) 3.891 7.840 ( 2.418 6.680 4.987) 8.680 8.303 ( -5.346 0.811 4.034) 6.746 9.503 ( 4.269 -3.847 3.473) 6.715 10.743 ( -0.004 -1.659 1.004) 1.939 11.262 ( 6.562 -2.502 3.498) 7.846 11.724 ( 0.361 4.754 5.077) 6.965 12.038 ( 0.719 -2.379 -2.557) 3.566 12.920 ( -6.167 6.349 3.070) 9.369 13.458 ( -4.102 2.128 -7.352) 8.683 17.535 ( 7.524 -2.049 7.728) 10.979 17.769 ( 1.814 9.879 4.038) 10.826 18.665 ( -4.253 0.179 -2.946) 5.177 18.829 ( -0.919 -1.271 2.766) 3.179 20.715 ( -2.435 -6.985 -8.037) 10.923 21.063 ( -0.181 0.855 -1.466) 1.707 ======================= Grid point 158 (82/172) ======================= q-point: ( 0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -3.555 4.888 11.650) 13.124 2.101 ( -10.226 -1.029 -5.024) 11.440 2.134 ( 8.370 -4.295 1.483) 9.524 2.360 ( 5.952 1.893 3.909) 7.369 3.066 ( 2.730 6.134 13.482) 15.061 3.226 ( -0.738 0.214 -3.307) 3.395 3.514 ( 4.927 0.487 7.231) 8.764 4.220 ( 5.579 -12.657 1.793) 13.948 4.455 ( -5.333 -8.790 -6.587) 12.211 4.615 ( 5.391 -5.662 -3.284) 8.480 4.742 ( -2.688 -9.199 -7.491) 12.164 5.240 ( -2.075 1.996 4.447) 5.298 5.670 ( -5.283 -4.278 5.930) 9.021 6.297 ( 3.290 0.283 -5.757) 6.636 7.201 ( 3.295 2.790 -1.937) 4.732 8.000 ( 3.263 7.452 5.714) 9.941 8.228 ( -6.409 0.249 2.474) 6.874 9.536 ( 2.513 -5.407 2.639) 6.520 10.756 ( 2.002 -2.398 2.186) 3.813 11.359 ( 5.628 -3.493 2.596) 7.114 11.829 ( 1.490 5.129 5.374) 7.577 12.023 ( 2.731 -1.534 -3.475) 4.678 12.888 ( -8.860 7.194 3.531) 11.946 13.377 ( -2.152 4.319 -7.252) 8.711 17.623 ( 3.708 0.444 0.052) 3.735 18.080 ( 9.763 15.155 13.580) 22.570 18.568 ( -4.523 0.947 -4.850) 6.699 18.794 ( -3.312 -1.502 1.671) 4.002 20.511 ( -3.326 -13.620 -7.246) 15.782 21.054 ( -0.436 0.596 -1.620) 1.781 ======================= Grid point 159 (83/172) ======================= q-point: ( 0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -6.076 20.591 5.582) 22.183 1.950 ( -2.316 1.965 2.686) 4.055 2.261 ( 7.515 -6.583 8.719) 13.260 2.519 ( 9.429 0.279 -1.728) 9.590 2.920 ( -11.619 -0.211 0.163) 11.622 3.443 ( 7.843 0.562 1.586) 8.021 3.679 ( 10.933 -6.080 8.850) 15.324 4.146 ( -17.332 -11.176 -2.020) 20.722 4.214 ( 4.023 -9.295 2.442) 10.418 4.478 ( -1.119 -12.077 -7.132) 14.070 4.642 ( 7.440 -9.700 -8.524) 14.903 5.271 ( -3.769 8.344 4.243) 10.091 5.621 ( -0.962 -4.778 4.671) 6.750 6.286 ( -2.185 2.374 -1.832) 3.710 7.262 ( 1.980 2.539 -2.150) 3.872 8.138 ( -1.344 2.878 6.220) 6.984 8.164 ( -0.420 2.513 0.120) 2.551 9.529 ( 1.181 -5.488 2.082) 5.987 10.780 ( 1.791 -2.429 1.635) 3.432 11.407 ( 2.602 -3.854 1.191) 4.800 11.923 ( 0.704 3.452 3.566) 5.012 12.050 ( 4.045 -0.265 -3.500) 5.356 12.823 ( -8.221 5.699 3.137) 10.484 13.379 ( 0.692 6.500 -4.864) 8.148 17.699 ( 3.886 2.324 -0.958) 4.628 18.449 ( 0.928 1.386 7.465) 7.649 18.510 ( 1.202 18.673 -0.868) 18.732 18.737 ( -1.023 -1.378 1.440) 2.241 20.256 ( -2.907 -19.016 -5.010) 19.879 21.038 ( -0.599 0.367 -1.443) 1.605 ======================= Grid point 160 (84/172) ======================= q-point: ( 0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -7.089 12.591 -5.964) 15.632 2.191 ( 3.386 17.220 11.181) 20.809 2.353 ( 2.599 -6.371 11.618) 13.503 2.582 ( 7.341 -11.620 -4.352) 14.417 2.844 ( 2.003 -0.693 3.044) 3.709 3.407 ( -9.067 -0.206 -12.763) 15.658 3.683 ( -12.624 -7.076 7.319) 16.218 3.915 ( 11.014 -10.964 3.860) 16.013 4.176 ( 1.324 -6.584 -2.951) 7.335 4.371 ( 1.301 -8.023 -0.548) 8.146 4.606 ( 0.626 -4.514 -2.419) 5.160 5.336 ( -0.151 6.198 2.419) 6.655 5.602 ( 1.131 -4.854 3.450) 6.062 6.263 ( -2.061 2.934 -1.117) 3.755 7.282 ( 0.215 1.873 -2.524) 3.151 8.117 ( -2.524 1.136 1.670) 3.233 8.239 ( 1.755 1.124 2.706) 3.416 9.503 ( -0.115 -4.460 1.539) 4.719 10.790 ( 1.135 -2.016 0.464) 2.359 11.392 ( -0.784 -2.713 -0.068) 2.825 11.951 ( -4.064 3.210 2.330) 5.679 12.089 ( 4.132 -0.988 -3.485) 5.495 12.809 ( -0.540 3.565 2.662) 4.482 13.426 ( 0.356 5.838 -2.795) 6.482 17.756 ( -0.154 2.350 -0.073) 2.356 18.421 ( 3.085 -2.131 -5.005) 6.254 18.595 ( -9.101 9.792 0.571) 13.380 18.913 ( 6.493 10.821 5.576) 13.797 20.014 ( 0.251 -19.846 -0.575) 19.856 21.026 ( -0.362 0.643 -0.884) 1.151 ======================= Grid point 161 (85/172) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -8.046 8.624 -5.612) 13.061 2.234 ( -8.300 -1.429 2.244) 8.716 2.493 ( 0.822 0.503 9.402) 9.451 2.645 ( 16.909 -5.360 -3.160) 18.018 2.775 ( -7.444 -17.203 3.275) 19.028 3.200 ( -6.872 12.854 -5.727) 15.660 3.545 ( -2.911 -6.314 3.202) 7.654 4.052 ( 8.165 0.613 -4.418) 9.304 4.125 ( -0.020 0.116 -4.295) 4.297 4.335 ( 5.162 -9.395 6.326) 12.447 4.542 ( -5.641 -0.155 3.276) 6.525 5.386 ( -0.102 1.231 0.793) 1.468 5.629 ( 5.099 -5.118 2.475) 7.637 6.254 ( -1.519 3.361 -2.823) 4.645 7.276 ( -0.893 1.207 -2.085) 2.569 8.108 ( -1.328 1.681 1.313) 2.512 8.275 ( 1.440 -2.155 1.431) 2.960 9.462 ( -1.544 -2.875 0.676) 3.332 10.785 ( 0.479 -1.865 -0.503) 1.990 11.338 ( -2.974 -1.132 -0.865) 3.298 11.902 ( -6.144 2.659 1.924) 6.966 12.101 ( 1.245 -1.541 -2.914) 3.523 12.910 ( 7.689 0.766 1.633) 7.898 13.447 ( -1.952 4.110 -1.340) 4.743 17.723 ( -6.001 1.390 0.736) 6.204 18.448 ( 6.384 -2.647 -8.051) 10.610 18.542 ( -6.134 6.880 1.617) 9.358 19.017 ( -2.770 -0.521 -1.417) 3.154 19.959 ( 7.077 -6.034 6.198) 11.176 21.029 ( 0.171 1.226 -0.149) 1.247 ======================= Grid point 162 (86/172) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -9.031 -0.337 -6.731) 11.268 2.092 ( -4.178 -4.937 -0.777) 6.514 2.377 ( -15.365 -2.374 2.482) 15.744 2.645 ( 5.703 -10.657 9.109) 15.135 2.881 ( 11.674 4.759 -5.036) 13.575 3.098 ( -12.370 -2.753 -1.999) 12.829 3.550 ( 10.993 -3.782 -5.715) 12.954 4.007 ( -7.389 5.554 2.539) 9.585 4.191 ( -1.279 5.372 -1.404) 5.698 4.473 ( -2.625 3.767 7.621) 8.897 4.551 ( 17.049 -0.547 0.354) 17.061 5.366 ( -2.910 -0.961 0.634) 3.129 5.681 ( 6.547 -7.791 1.004) 10.226 6.217 ( -4.820 4.138 -4.087) 7.554 7.243 ( -2.345 0.247 -1.056) 2.584 8.122 ( -0.740 1.306 1.624) 2.211 8.268 ( 1.622 -4.400 -0.578) 4.725 9.413 ( -2.254 -0.821 -0.194) 2.407 10.769 ( 0.587 -1.850 -0.641) 2.044 11.265 ( -4.007 -0.348 -1.217) 4.202 11.841 ( -4.870 1.437 0.937) 5.163 12.068 ( -0.644 -1.923 -1.567) 2.562 13.062 ( 9.784 -2.894 -0.187) 10.205 13.433 ( -3.335 4.223 0.608) 5.416 17.609 ( -8.505 0.079 -0.277) 8.510 18.381 ( -3.250 -4.730 -6.241) 8.479 18.593 ( 4.355 1.819 -0.164) 4.723 18.882 ( -3.924 -7.288 -1.541) 8.420 20.164 ( 8.744 7.489 6.657) 13.299 21.050 ( 0.486 1.462 0.355) 1.581 ======================= Grid point 163 (87/172) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -1.386 -6.860 -4.354) 8.242 1.967 ( -7.788 -2.835 0.080) 8.288 2.208 ( -5.441 2.744 4.863) 7.796 2.675 ( -1.652 -4.601 -11.099) 12.128 2.818 ( -1.562 -16.382 7.850) 18.233 3.039 ( 2.202 10.517 -3.508) 11.303 3.697 ( 14.926 -4.723 -5.474) 16.585 4.017 ( -10.007 14.258 8.987) 19.601 4.130 ( -3.889 -2.240 -0.802) 4.559 4.549 ( 2.844 7.442 1.423) 8.093 4.902 ( 16.706 6.281 1.046) 17.879 5.279 ( -4.796 -3.517 -1.325) 6.093 5.709 ( 4.051 -5.785 1.414) 7.202 6.110 ( -8.662 2.730 -2.832) 9.513 7.207 ( -1.267 0.056 0.186) 1.282 8.079 ( -3.970 -4.894 0.399) 6.315 8.270 ( 2.597 -0.693 -1.234) 2.958 9.372 ( -2.068 0.611 -0.729) 2.277 10.773 ( 2.343 -1.520 0.282) 2.807 11.183 ( -4.172 -0.776 -1.253) 4.425 11.775 ( -3.713 -0.291 -1.210) 3.916 12.044 ( 0.500 -1.458 0.492) 1.618 13.126 ( 2.814 -5.483 -0.795) 6.214 13.461 ( 0.556 5.310 1.398) 5.519 17.451 ( -8.013 -1.885 -2.228) 8.528 18.200 ( -3.389 -12.424 -2.995) 13.221 18.667 ( 1.641 3.194 -0.907) 3.704 18.795 ( 0.066 -3.883 1.441) 4.143 20.433 ( 7.551 11.621 3.603) 14.319 21.072 ( 0.244 1.059 0.304) 1.128 ======================= Grid point 164 (88/172) ======================= q-point: (-0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 5.046 -15.210 -4.570) 16.664 1.824 ( -7.332 1.224 3.766) 8.333 2.279 ( -1.175 5.432 0.338) 5.568 2.435 ( 2.428 -7.374 -8.213) 11.301 2.826 ( 2.536 -11.263 10.406) 15.543 3.127 ( -3.176 14.375 -2.873) 15.000 3.844 ( 12.946 -6.686 -4.247) 15.177 3.979 ( -7.781 6.507 0.082) 10.143 4.129 ( -1.775 4.780 6.953) 8.623 4.696 ( 4.354 6.581 -1.033) 7.958 5.084 ( -4.741 2.063 -3.949) 6.506 5.207 ( 6.974 -4.431 0.152) 8.264 5.728 ( -3.994 7.050 1.877) 8.317 6.006 ( 1.026 -5.006 0.786) 5.170 7.206 ( 0.254 0.708 -0.111) 0.760 7.932 ( -5.462 -7.206 -0.651) 9.065 8.299 ( 0.741 1.170 -0.143) 1.393 9.350 ( -0.657 0.539 -0.215) 0.877 10.819 ( 3.380 -0.717 0.792) 3.545 11.100 ( -2.938 -2.066 -0.525) 3.630 11.705 ( -2.320 -0.845 -1.830) 3.073 12.057 ( 1.345 -1.002 1.130) 2.023 13.072 ( -3.102 -3.513 1.072) 4.808 13.539 ( 2.247 3.746 -0.757) 4.433 17.300 ( -4.414 -3.728 -1.581) 5.990 18.019 ( -2.829 -11.767 -0.509) 12.113 18.705 ( -0.275 3.915 0.474) 3.953 18.797 ( 1.146 -2.537 2.068) 3.469 20.666 ( 5.634 10.850 -0.147) 12.227 21.079 ( -0.238 0.461 -0.181) 0.549 ======================= Grid point 168 (89/172) ======================= q-point: ( 0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 8.932 2.919 10.737) 14.268 1.831 ( 11.019 -6.336 -0.644) 12.727 2.277 ( -0.611 3.053 -0.887) 3.238 2.503 ( -6.890 -6.229 3.819) 10.043 2.806 ( 0.385 4.505 12.132) 12.947 3.462 ( 0.319 -13.842 -1.418) 13.919 3.692 ( -9.628 18.626 3.138) 21.200 4.010 ( 1.415 -3.852 -4.393) 6.012 4.106 ( 10.018 -15.909 -7.115) 20.102 4.748 ( -0.744 1.748 -2.476) 3.121 4.932 ( -0.723 4.293 -8.442) 9.498 5.241 ( -3.365 -0.647 6.236) 7.115 5.897 ( 15.142 -1.108 -5.967) 16.313 5.923 ( -6.486 -5.675 4.635) 9.785 7.170 ( -2.117 2.002 -1.396) 3.231 7.894 ( 2.954 5.893 5.557) 8.622 8.366 ( -0.465 -2.448 1.793) 3.070 9.418 ( 4.028 -3.006 1.847) 5.355 10.770 ( -3.270 0.678 -0.562) 3.387 11.163 ( 5.793 -1.842 3.330) 6.931 11.775 ( 2.162 1.916 4.706) 5.522 12.014 ( -1.988 -0.832 -1.392) 2.565 13.032 ( 0.815 3.039 1.512) 3.491 13.497 ( -4.784 0.893 -4.794) 6.831 17.458 ( 6.230 -2.775 10.030) 12.129 17.850 ( 2.821 9.624 2.212) 10.270 18.705 ( -3.077 -0.399 -2.757) 4.151 18.821 ( 1.724 -3.414 3.235) 5.009 20.663 ( -5.277 -3.674 -9.618) 11.569 21.070 ( -0.677 0.968 -0.754) 1.401 ======================= Grid point 169 (90/172) ======================= q-point: ( 0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 14.514 -3.358 10.228) 18.071 1.960 ( 6.297 -1.053 0.727) 6.426 2.245 ( -3.684 2.494 0.691) 4.502 2.351 ( -5.577 -2.336 -0.085) 6.047 3.041 ( 10.207 2.623 10.642) 14.977 3.314 ( -6.747 -6.720 1.811) 9.693 3.709 ( -9.219 12.255 6.211) 16.545 3.947 ( 7.569 -11.289 -6.727) 15.165 4.107 ( 10.434 -10.088 -10.642) 17.996 4.639 ( -5.883 -5.169 -3.495) 8.576 4.839 ( -10.545 1.055 -2.925) 10.994 5.259 ( 1.890 0.543 2.143) 2.908 5.793 ( -7.342 -3.870 6.250) 10.390 6.117 ( 13.837 0.925 -4.746) 14.658 7.176 ( 1.244 2.102 -0.262) 2.456 8.052 ( 3.362 6.676 5.327) 9.178 8.311 ( -3.587 -3.222 0.465) 4.844 9.453 ( 3.122 -4.457 1.260) 5.586 10.747 ( -0.455 0.496 0.900) 1.124 11.253 ( 5.364 -2.528 1.958) 6.245 11.854 ( 2.454 -1.156 3.679) 4.571 11.981 ( -0.365 2.018 -1.280) 2.417 13.090 ( -2.974 6.791 3.508) 8.202 13.385 ( -3.263 0.057 -6.318) 7.111 17.550 ( 4.175 -3.272 2.863) 6.028 18.137 ( 11.024 13.821 10.295) 20.458 18.615 ( -4.399 0.402 -4.832) 6.547 18.826 ( -0.468 -2.583 3.197) 4.137 20.435 ( -7.317 -8.005 -8.619) 13.853 21.060 ( -0.775 0.695 -1.099) 1.513 ======================= Grid point 170 (91/172) ======================= q-point: ( 0.40 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 15.399 -1.958 12.586) 19.985 2.037 ( 7.314 -1.499 -3.050) 8.065 2.147 ( -11.351 13.028 -4.466) 17.847 2.388 ( 6.056 -2.795 6.425) 9.261 3.042 ( -7.675 -10.577 -4.036) 13.677 3.314 ( 5.576 -2.565 8.434) 10.430 3.712 ( -5.163 3.618 4.579) 7.792 3.989 ( 6.578 -1.126 -2.939) 7.292 4.117 ( 10.876 -6.357 -8.242) 15.054 4.459 ( -6.206 -7.346 -3.149) 10.119 4.581 ( -14.465 -3.901 2.209) 15.144 5.317 ( 3.243 0.621 -0.707) 3.377 5.697 ( -6.064 -1.904 4.584) 7.836 6.265 ( 5.324 1.839 -2.657) 6.228 7.231 ( 2.718 1.672 -0.593) 3.245 8.184 ( 1.555 4.534 2.038) 5.208 8.216 ( -3.262 -3.396 1.718) 5.013 9.459 ( 2.320 -4.511 0.586) 5.106 10.763 ( 0.441 0.359 1.281) 1.401 11.318 ( 4.496 -2.799 0.265) 5.303 11.879 ( 3.331 -3.812 -0.533) 5.091 12.031 ( 1.393 4.483 0.867) 4.774 13.052 ( -10.602 3.839 3.213) 11.724 13.362 ( 3.193 3.450 -4.473) 6.489 17.614 ( 5.677 -1.316 -0.603) 5.859 18.501 ( -5.218 1.100 -4.732) 7.130 18.548 ( 13.841 8.489 9.199) 18.662 18.812 ( -2.984 3.370 2.721) 5.260 20.162 ( -8.381 -10.861 -4.983) 14.596 21.044 ( -0.762 0.433 -0.979) 1.314 ======================= Grid point 171 (92/172) ======================= q-point: (-0.50 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -6.181 7.994 -4.793) 11.184 2.175 ( 7.810 4.095 -5.989) 10.660 2.267 ( 10.730 -7.352 13.469) 18.724 2.519 ( 0.315 5.596 2.611) 6.183 2.791 ( -2.526 -11.084 1.252) 11.437 3.361 ( 3.429 -6.353 -3.282) 7.930 3.664 ( -1.605 -3.084 -0.380) 3.498 3.966 ( -7.675 0.997 -1.545) 7.892 4.213 ( -11.009 -1.108 3.889) 11.728 4.270 ( 8.006 -1.680 3.012) 8.717 4.491 ( 4.263 -2.358 -0.322) 4.883 5.366 ( 2.326 0.856 -0.170) 2.484 5.603 ( -4.285 -4.129 0.757) 5.999 6.298 ( -0.530 1.049 -1.525) 1.926 7.269 ( 1.218 1.412 -2.090) 2.801 8.139 ( -1.218 -1.422 -1.943) 2.698 8.256 ( 0.382 -0.199 4.126) 4.148 9.457 ( 1.684 -3.430 0.110) 3.823 10.777 ( -0.080 0.268 0.657) 0.714 11.350 ( 2.485 -2.060 -1.096) 3.409 11.910 ( 5.698 -3.466 -2.127) 7.000 12.086 ( -0.845 4.059 0.285) 4.155 12.922 ( -8.067 0.251 2.212) 8.369 13.436 ( 2.517 4.479 -1.727) 5.420 17.704 ( 6.585 -0.297 -1.367) 6.732 18.379 ( -4.147 0.559 -8.296) 9.292 18.716 ( 0.306 -3.254 2.058) 3.862 18.964 ( 5.156 11.208 3.956) 12.956 19.923 ( -6.191 -8.133 3.247) 10.724 21.034 ( -0.427 0.635 -0.366) 0.848 ======================= Grid point 172 (93/172) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -7.317 3.575 -6.746) 10.575 2.258 ( -2.849 -8.187 -12.098) 14.883 2.337 ( 3.573 -5.120 3.213) 7.022 2.452 ( 9.880 -7.263 7.353) 14.298 2.866 ( -4.100 2.674 11.579) 12.571 3.302 ( -1.172 5.045 -12.049) 13.115 3.636 ( -3.306 -3.616 0.096) 4.901 3.837 ( 3.069 -3.396 5.573) 7.212 4.186 ( -1.868 9.628 2.612) 10.149 4.310 ( -2.704 -3.470 2.547) 5.083 4.597 ( 4.348 3.721 2.564) 6.271 5.404 ( -0.204 0.011 2.001) 2.012 5.504 ( 1.669 -7.654 -3.262) 8.486 6.275 ( -0.869 0.550 -1.995) 2.244 7.280 ( 0.195 2.063 -2.343) 3.128 8.109 ( 0.644 -1.266 -2.050) 2.494 8.261 ( -0.626 -3.287 2.603) 4.239 9.448 ( 0.468 -1.970 -0.566) 2.103 10.774 ( -0.692 -0.046 0.105) 0.701 11.344 ( -0.128 -0.734 -2.229) 2.351 11.947 ( 3.533 -3.438 -2.618) 5.582 12.086 ( -2.805 3.594 -0.398) 4.576 12.854 ( -0.411 -2.293 2.086) 3.127 13.488 ( 0.301 3.012 -0.302) 3.042 17.780 ( 2.181 0.043 0.005) 2.182 18.269 ( 0.514 -1.462 -12.433) 12.529 18.687 ( -3.095 1.548 0.421) 3.486 19.003 ( -2.542 -7.603 -3.354) 8.690 19.943 ( 2.637 6.041 13.052) 14.622 21.040 ( 0.092 1.148 0.394) 1.217 ======================= Grid point 173 (94/172) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -12.198 -5.032 -9.315) 16.152 2.013 ( 2.508 -12.472 -7.022) 14.531 2.459 ( 5.596 -2.471 6.172) 8.690 2.624 ( 2.699 -6.196 8.526) 10.880 2.777 ( -6.175 8.031 -2.284) 10.385 3.254 ( -2.232 2.334 -9.661) 10.187 3.403 ( -11.402 -7.745 -1.003) 13.820 4.123 ( 9.894 8.734 0.814) 13.222 4.238 ( 7.876 -8.625 5.514) 12.916 4.334 ( -0.869 18.734 3.838) 19.143 4.673 ( -5.703 6.971 4.998) 10.300 5.353 ( 2.419 -10.293 -3.759) 11.221 5.503 ( 3.167 -2.222 0.999) 3.995 6.265 ( 0.021 2.347 -3.262) 4.019 7.278 ( -1.562 2.154 -1.271) 2.949 8.111 ( 2.669 -1.300 -1.308) 3.244 8.209 ( -1.271 -6.340 0.379) 6.477 9.428 ( -0.711 -0.194 -1.332) 1.522 10.757 ( -0.979 -0.496 0.233) 1.122 11.301 ( -2.304 0.123 -3.317) 4.040 11.902 ( -2.229 -3.442 -2.661) 4.889 12.074 ( -1.906 2.334 -0.133) 3.016 12.889 ( 6.529 -4.603 1.237) 8.083 13.507 ( -1.099 2.245 1.169) 2.759 17.744 ( -6.889 0.202 -0.304) 6.899 18.181 ( 4.636 -7.832 -15.060) 17.597 18.657 ( -3.465 3.609 0.683) 5.050 18.831 ( -1.787 -10.858 -0.740) 11.029 20.208 ( 5.626 12.044 12.077) 17.960 21.061 ( 0.367 1.381 0.890) 1.684 ======================= Grid point 174 (95/172) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -6.386 -3.758 -6.404) 9.794 1.982 ( 4.637 -3.759 -1.019) 6.056 2.383 ( -11.794 -4.121 -1.896) 12.636 2.592 ( 1.082 -6.487 10.432) 12.332 2.772 ( -8.809 -4.183 -8.425) 12.887 3.125 ( -1.668 12.092 -1.823) 12.342 3.349 ( 12.532 -7.195 -5.677) 15.526 4.123 ( -2.070 -2.721 0.312) 3.433 4.461 ( -3.452 18.698 3.576) 19.347 4.593 ( -0.802 3.029 2.565) 4.050 4.679 ( 10.108 6.417 5.788) 13.298 5.250 ( 1.820 -12.044 -6.436) 13.777 5.565 ( 4.787 -0.653 3.835) 6.168 6.255 ( -4.052 6.332 -4.302) 8.662 7.253 ( -2.868 1.586 0.528) 3.320 8.084 ( -3.383 -8.321 1.341) 9.082 8.174 ( 5.647 -1.596 -2.950) 6.568 9.402 ( -1.573 1.052 -2.138) 2.855 10.746 ( 0.081 -0.694 1.421) 1.583 11.226 ( -3.622 -0.027 -4.041) 5.427 11.795 ( -3.058 -4.283 -3.359) 6.243 12.066 ( -1.885 1.932 1.506) 3.091 12.967 ( 7.746 -6.624 0.362) 10.199 13.525 ( -0.882 3.185 2.055) 3.892 17.567 ( -10.541 -1.265 -4.888) 11.688 18.045 ( 1.707 -13.425 -6.760) 15.128 18.679 ( 1.323 3.197 1.206) 3.664 18.755 ( 0.619 -4.238 -0.149) 4.285 20.487 ( 4.977 12.442 7.572) 15.391 21.084 ( 0.065 1.019 0.894) 1.357 ======================= Grid point 175 (96/172) ======================= q-point: (-0.10 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -6.327 0.249 -2.942) 6.982 1.956 ( -8.017 -0.137 0.601) 8.040 2.238 ( 4.134 -8.808 -11.262) 14.883 2.410 ( -9.255 3.823 3.719) 10.682 2.714 ( 5.517 -11.378 10.601) 16.501 3.286 ( 2.389 18.077 -4.056) 18.680 3.498 ( 13.448 -5.177 -2.837) 14.687 4.040 ( -2.842 -3.358 -3.072) 5.366 4.435 ( -13.807 10.954 4.936) 18.303 4.697 ( 4.817 7.124 -0.328) 8.606 4.918 ( 12.155 -11.990 -0.099) 17.074 5.104 ( -0.725 -5.339 -5.824) 7.934 5.723 ( 7.637 3.943 6.003) 10.483 6.162 ( -12.067 8.628 -4.879) 15.616 7.237 ( -1.809 1.772 1.513) 2.950 7.940 ( -4.255 -8.562 0.933) 9.607 8.242 ( 5.361 -1.248 -1.493) 5.704 9.367 ( -1.604 0.878 -2.329) 2.961 10.777 ( 2.340 -0.267 3.266) 4.026 11.130 ( -3.936 -0.713 -4.038) 5.684 11.695 ( -1.173 -3.707 -2.747) 4.761 12.073 ( -1.162 1.619 2.192) 2.962 13.007 ( 4.657 -7.184 0.533) 8.578 13.565 ( -0.186 4.065 0.986) 4.187 17.352 ( -7.729 -2.672 -4.261) 9.222 17.921 ( 0.604 -11.150 -0.016) 11.166 18.737 ( 0.016 1.214 -0.408) 1.281 18.753 ( 3.123 -0.795 1.277) 3.466 20.702 ( 3.317 10.590 1.999) 11.276 21.092 ( -0.539 0.476 0.498) 0.875 ======================= Grid point 178 (97/172) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -5.401 -1.711 0.751) 5.715 1.606 ( 10.404 9.489 7.785) 16.090 2.329 ( -1.732 7.076 0.348) 7.294 2.540 ( -3.435 -8.844 5.446) 10.939 2.929 ( -0.974 5.169 7.443) 9.114 3.223 ( 6.270 -14.883 -1.712) 16.240 3.645 ( 5.408 -22.855 -14.817) 27.769 3.970 ( -4.970 4.976 3.970) 8.076 4.191 ( -6.060 14.480 4.866) 16.434 4.749 ( 3.908 3.046 -2.790) 5.686 4.824 ( 5.140 2.240 -10.931) 12.285 5.156 ( 12.489 -6.604 2.853) 14.413 5.800 ( -7.993 4.371 -9.077) 12.860 6.021 ( -5.464 -3.195 7.717) 9.981 7.240 ( -4.241 1.856 0.111) 4.631 7.927 ( 4.188 4.581 5.534) 8.316 8.295 ( 4.750 -5.198 -0.959) 7.106 9.354 ( 2.008 -1.410 1.381) 2.816 10.839 ( -4.723 1.324 -2.982) 5.741 11.087 ( 4.589 -1.641 5.111) 7.062 11.751 ( 3.944 -1.538 3.435) 5.452 12.067 ( -3.889 1.436 0.100) 4.147 12.976 ( 7.179 -0.153 -0.649) 7.210 13.568 ( -5.169 0.932 -2.280) 5.726 17.423 ( 2.989 -3.697 10.785) 11.786 17.878 ( 4.703 7.200 0.224) 8.603 18.723 ( -1.822 -0.496 -2.071) 2.802 18.757 ( 3.645 -4.061 2.277) 5.913 20.684 ( -7.016 0.097 -8.764) 11.227 21.091 ( -1.014 0.847 -0.135) 1.328 ======================= Grid point 179 (98/172) ======================= q-point: ( 0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 3.541 -3.254 0.609) 4.848 1.908 ( 6.871 6.731 9.044) 13.203 2.273 ( -2.272 -7.163 4.978) 9.014 2.458 ( -6.393 1.589 -1.732) 6.811 2.984 ( 0.922 -3.249 3.095) 4.581 3.221 ( 9.344 -8.325 -0.572) 12.528 3.564 ( 13.617 -9.854 -6.920) 18.177 3.976 ( -4.374 3.348 3.010) 6.277 4.134 ( -14.617 9.660 0.656) 17.533 4.656 ( -5.802 -5.821 -3.063) 8.771 4.900 ( 3.068 9.991 -12.747) 16.484 5.265 ( 0.561 -5.552 4.949) 7.459 5.819 ( 10.181 1.699 -5.264) 11.587 5.943 ( -3.729 -2.873 8.043) 9.320 7.201 ( -2.066 1.330 0.320) 2.478 8.087 ( 4.058 5.247 5.130) 8.385 8.283 ( 1.170 -5.443 -2.016) 5.921 9.380 ( 2.151 -2.677 1.088) 3.603 10.780 ( -2.037 1.526 -1.240) 2.832 11.167 ( 4.088 -2.463 2.931) 5.600 11.801 ( 2.636 -4.234 2.389) 5.531 12.030 ( -2.306 2.684 -0.025) 3.539 13.116 ( 7.209 4.350 -0.023) 8.419 13.447 ( -7.765 -0.500 -2.172) 8.079 17.476 ( 2.593 -5.836 5.168) 8.215 18.107 ( 11.308 7.387 4.673) 14.292 18.659 ( -3.698 1.134 -3.360) 5.124 18.800 ( 2.963 -2.662 3.069) 5.028 20.482 ( -9.759 -0.763 -7.231) 12.170 21.077 ( -1.197 0.627 -0.532) 1.452 ======================= Grid point 180 (99/172) ======================= q-point: ( 0.40 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 16.907 -1.940 0.119) 17.019 2.002 ( -0.126 -3.593 1.994) 4.112 2.287 ( -0.110 -1.803 1.493) 2.344 2.392 ( 0.053 3.661 5.593) 6.685 2.927 ( 0.223 -9.919 -2.153) 10.152 3.323 ( 4.875 -3.166 1.907) 6.118 3.718 ( 7.149 3.075 -2.615) 8.209 3.882 ( -1.390 -1.576 -4.993) 5.417 4.063 ( -4.809 7.042 5.600) 10.201 4.483 ( -5.877 -3.736 -1.161) 7.060 4.835 ( -13.304 5.568 -5.718) 15.515 5.245 ( 2.754 -3.582 1.973) 4.931 5.791 ( -5.544 -4.605 2.431) 7.606 6.118 ( 12.564 2.795 -1.080) 12.916 7.206 ( 1.153 0.585 0.141) 1.300 8.205 ( 0.470 -6.549 2.026) 6.871 8.216 ( 0.300 4.101 -0.634) 4.161 9.389 ( 1.808 -2.776 0.045) 3.313 10.779 ( -0.100 1.787 0.323) 1.819 11.221 ( 4.105 -2.611 0.409) 4.882 11.795 ( 1.402 -4.609 0.007) 4.818 12.052 ( 1.169 2.840 0.688) 3.147 13.274 ( -10.375 -1.453 -0.701) 10.500 13.280 ( 6.471 5.317 -0.296) 8.380 17.498 ( 4.317 -4.570 0.425) 6.301 18.384 ( 12.284 -2.248 2.651) 12.766 18.590 ( -3.857 3.702 -1.624) 5.587 18.856 ( 2.771 1.660 2.282) 3.955 20.262 ( -11.874 0.800 -2.665) 12.196 21.059 ( -1.093 0.417 -0.498) 1.272 ======================= Grid point 181 (100/172) ======================= q-point: (-0.50 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 7.979 -0.382 -9.529) 12.435 1.999 ( 13.714 -6.606 8.042) 17.216 2.253 ( -0.382 2.307 -2.630) 3.519 2.511 ( 2.836 -2.122 1.396) 3.807 2.807 ( -4.326 0.192 2.592) 5.047 3.292 ( -3.237 -6.484 2.806) 7.771 3.670 ( -2.335 -3.384 -9.786) 10.614 3.972 ( 5.544 3.638 1.553) 6.810 4.186 ( 6.466 4.281 5.402) 9.451 4.416 ( -4.483 4.280 3.197) 6.974 4.572 ( -15.726 2.342 0.549) 15.909 5.309 ( 4.569 0.887 0.825) 4.727 5.633 ( -6.524 -8.352 -2.020) 10.789 6.270 ( 4.189 1.476 -1.786) 4.787 7.239 ( 2.173 0.529 -1.072) 2.480 8.118 ( -1.205 -4.267 -2.404) 5.044 8.268 ( 0.359 -0.867 2.805) 2.957 9.395 ( 2.021 -1.775 -0.878) 2.829 10.799 ( -0.409 1.752 0.794) 1.967 11.264 ( 4.192 -1.742 -1.816) 4.889 11.781 ( 3.081 -4.084 -1.589) 5.357 12.113 ( 1.849 2.737 0.433) 3.331 13.073 ( -9.893 -3.829 -0.098) 10.609 13.417 ( 3.711 4.800 0.584) 6.095 17.551 ( 7.325 -3.078 -2.219) 8.250 18.394 ( -2.473 -1.730 -8.338) 8.867 18.633 ( 4.370 -4.596 4.860) 7.990 18.956 ( 4.410 1.797 -0.590) 4.799 20.105 ( -10.860 6.551 5.278) 13.737 21.047 ( -0.594 0.581 0.062) 0.833 ======================= Grid point 182 (101/172) ======================= q-point: (-0.40 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 1.613 -11.119 -11.090) 15.787 2.174 ( -0.855 -18.125 -6.011) 19.115 2.306 ( 8.668 0.553 4.262) 9.675 2.403 ( -7.777 14.048 -0.985) 16.087 2.990 ( 6.563 6.441 10.977) 14.320 3.197 ( 2.051 -6.867 -2.828) 7.705 3.533 ( 1.327 -4.417 -6.417) 7.902 4.015 ( -8.887 -1.289 4.594) 10.087 4.293 ( -0.573 0.702 2.709) 2.856 4.385 ( -2.546 11.396 -0.083) 11.677 4.603 ( 3.569 12.616 5.148) 14.085 5.388 ( -5.785 -13.926 -6.693) 16.498 5.421 ( 4.060 3.663 4.021) 6.787 6.274 ( -1.245 -1.037 -2.241) 2.766 7.272 ( 1.687 2.035 -1.415) 2.998 8.057 ( 0.377 -3.474 -2.891) 4.535 8.252 ( -0.984 -4.696 1.908) 5.163 9.407 ( 1.717 -0.504 -1.751) 2.503 10.805 ( -1.445 1.522 0.931) 2.296 11.295 ( 2.885 -0.403 -3.651) 4.671 11.799 ( 5.382 -4.142 -2.912) 7.389 12.154 ( -0.580 3.040 -0.260) 3.106 12.893 ( -6.397 -5.692 1.478) 8.690 13.499 ( 1.416 2.444 1.075) 3.022 17.646 ( 9.266 -2.266 -3.056) 10.016 18.238 ( -6.012 -0.675 -11.953) 13.397 18.670 ( 3.022 -5.152 3.089) 6.724 18.942 ( -1.837 -6.958 -3.334) 7.931 20.144 ( -3.515 13.213 12.159) 18.296 21.053 ( 0.036 0.951 0.761) 1.219 ======================= Grid point 183 (102/172) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 3.861 -10.653 -11.669) 16.265 1.781 ( -9.007 -19.764 -7.724) 23.052 2.475 ( 1.900 -4.475 14.171) 14.982 2.532 ( 7.230 15.815 -5.988) 18.392 2.945 ( -9.342 -11.477 8.259) 16.948 3.190 ( 0.626 2.167 -11.157) 11.383 3.629 ( -7.927 4.718 -2.756) 9.627 3.910 ( 11.127 0.709 6.977) 13.153 4.252 ( -4.820 -0.950 -1.168) 5.050 4.517 ( 1.882 13.283 2.143) 13.586 4.852 ( 2.061 18.346 3.540) 18.798 5.110 ( -1.065 -17.494 -11.086) 20.738 5.553 ( 0.104 5.253 9.511) 10.866 6.226 ( 1.162 -2.035 -2.908) 3.735 7.311 ( 0.354 3.312 -0.473) 3.364 8.020 ( 2.306 -3.634 -3.729) 5.694 8.175 ( -2.007 -8.213 0.906) 8.503 9.415 ( 0.831 0.892 -2.512) 2.792 10.795 ( -2.246 1.105 1.486) 2.911 11.292 ( 0.314 0.610 -5.429) 5.473 11.814 ( 3.630 -4.992 -3.963) 7.335 12.151 ( -2.668 3.367 -0.296) 4.306 12.790 ( 0.079 -7.196 2.239) 7.537 13.536 ( 0.278 0.635 2.385) 2.483 17.751 ( 6.940 -2.540 -0.963) 7.453 18.013 ( -7.011 -2.542 -16.646) 18.241 18.691 ( 2.498 -3.338 1.603) 4.467 18.777 ( -5.339 -7.702 -0.586) 9.390 20.359 ( 1.860 13.612 12.276) 18.424 21.074 ( 0.416 1.058 1.158) 1.622 ======================= Grid point 184 (103/172) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -5.763 -10.335 -6.464) 13.484 1.700 ( 15.597 -10.785 -5.444) 19.729 2.504 ( -8.119 -2.068 0.589) 8.399 2.596 ( -3.158 -10.723 10.857) 15.584 2.869 ( 4.615 0.114 -0.253) 4.623 3.155 ( -2.316 7.962 -10.026) 13.011 3.333 ( -14.430 3.972 -2.263) 15.137 4.119 ( -1.222 -5.244 0.218) 5.389 4.326 ( 13.249 5.699 1.133) 14.467 4.695 ( 3.860 9.568 2.539) 10.625 4.877 ( -0.415 -5.923 -13.845) 15.064 5.012 ( -2.008 8.068 1.537) 8.455 5.638 ( -3.971 4.564 11.284) 12.803 6.273 ( 5.181 4.305 -2.679) 7.250 7.327 ( -2.347 2.881 0.779) 3.797 8.023 ( 5.720 -3.791 -4.643) 8.286 8.051 ( -2.384 -10.571 1.542) 10.945 9.413 ( -0.460 1.922 -3.216) 3.774 10.778 ( -2.128 0.441 2.685) 3.454 11.240 ( -2.068 0.945 -6.736) 7.109 11.752 ( -0.966 -5.935 -3.922) 7.179 12.142 ( -2.455 3.237 0.818) 4.144 12.783 ( 5.862 -8.164 1.345) 10.141 13.568 ( 0.374 0.698 3.701) 3.785 17.692 ( -11.466 -1.754 -8.852) 14.591 17.835 ( 5.353 -7.523 -5.351) 10.671 18.666 ( 0.518 -5.567 1.005) 5.681 18.718 ( 0.996 0.651 0.244) 1.215 20.599 ( 2.785 11.644 8.831) 14.877 21.097 ( 0.265 0.679 1.130) 1.344 ======================= Grid point 185 (104/172) ======================= q-point: (-0.10 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 2.733 -3.732 -7.781) 9.052 1.908 ( 19.030 -8.043 -1.995) 20.756 2.162 ( -17.744 -4.032 -2.143) 18.323 2.614 ( -0.008 -6.838 4.290) 8.072 2.710 ( -12.442 -1.339 7.334) 14.505 3.191 ( 6.044 0.680 -3.891) 7.220 3.445 ( 7.126 18.929 0.622) 20.236 4.040 ( -3.084 -0.429 -4.075) 5.129 4.402 ( 9.345 -20.091 -7.052) 23.253 4.765 ( 0.079 -0.378 -5.886) 5.899 4.810 ( -8.613 8.353 -0.493) 12.008 5.045 ( 0.352 5.890 -0.255) 5.906 5.729 ( 2.793 3.812 9.383) 10.506 6.364 ( -3.400 11.860 -4.221) 13.040 7.311 ( -3.001 1.976 1.917) 4.073 7.917 ( -2.227 -9.301 1.260) 9.647 8.084 ( 8.256 -4.441 -2.417) 9.682 9.387 ( -1.866 1.809 -3.500) 4.360 10.786 ( 0.094 0.056 4.866) 4.867 11.154 ( -3.418 0.923 -6.640) 7.525 11.649 ( -1.078 -5.247 -2.651) 5.976 12.140 ( -2.317 2.486 1.969) 3.928 12.824 ( 7.562 -8.655 0.092) 11.494 13.613 ( 0.185 2.149 3.134) 3.804 17.431 ( -8.788 -1.568 -7.330) 11.550 17.811 ( 1.775 -8.033 1.999) 8.466 18.675 ( 3.571 -2.436 -0.277) 4.332 18.744 ( 1.216 0.936 -0.205) 1.549 20.780 ( 1.359 9.236 3.394) 9.933 21.108 ( -0.307 0.183 0.806) 0.882 ======================= Grid point 188 (105/172) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 10.047 -8.948 1.547) 13.542 1.678 ( 13.634 12.078 -3.161) 18.487 2.454 ( -6.892 -10.653 3.367) 13.127 2.613 ( -2.302 3.043 6.732) 7.738 2.990 ( 10.778 4.374 1.218) 11.696 3.065 ( -8.730 -1.638 -5.315) 10.351 3.335 ( -5.162 -15.918 -6.001) 17.778 4.038 ( 0.067 -4.034 8.068) 9.021 4.397 ( 15.315 7.237 -6.478) 18.135 4.512 ( 4.365 4.556 11.795) 13.377 4.813 ( -2.739 3.046 -2.174) 4.637 5.059 ( -5.048 0.721 -3.124) 5.980 5.877 ( -6.356 -3.708 -8.877) 11.530 6.202 ( -9.397 6.415 3.050) 11.779 7.330 ( -4.245 0.797 0.506) 4.349 7.914 ( 6.165 2.668 5.017) 8.384 8.112 ( 8.564 -5.845 -3.090) 10.819 9.352 ( -1.104 0.093 2.094) 2.369 10.872 ( -1.743 -0.442 -5.967) 6.232 11.079 ( -0.008 -0.545 7.983) 8.001 11.680 ( 4.407 -2.865 2.800) 5.956 12.148 ( -3.768 1.361 0.106) 4.008 12.814 ( 10.197 -1.122 -1.014) 10.308 13.633 ( -3.246 0.815 -2.295) 4.058 17.440 ( -0.789 -4.920 10.546) 11.664 17.837 ( 5.502 3.270 -1.691) 6.620 18.667 ( 3.951 -2.774 0.604) 4.866 18.729 ( 0.061 0.362 -0.798) 0.879 20.764 ( -7.102 2.822 -6.421) 9.982 21.112 ( -0.648 0.476 -0.113) 0.812 ======================= Grid point 189 (106/172) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 4.449 -5.647 -1.053) 7.266 1.967 ( 5.409 11.499 2.099) 12.880 2.246 ( -2.660 -16.729 6.256) 18.058 2.593 ( -9.230 -1.966 3.594) 10.099 2.907 ( 8.027 -6.149 -11.384) 15.226 3.083 ( -10.228 -0.087 1.457) 10.332 3.278 ( 14.330 5.483 1.913) 15.462 4.056 ( 0.139 -2.374 4.891) 5.438 4.494 ( -14.536 9.988 1.125) 17.672 4.668 ( -3.054 -6.224 -3.799) 7.905 4.806 ( 10.130 10.156 -6.348) 15.686 5.101 ( 12.283 -5.548 5.802) 14.674 5.725 ( -1.614 3.761 -10.056) 10.857 6.112 ( -10.372 -0.894 9.013) 13.770 7.262 ( -3.982 0.018 -0.236) 3.989 8.070 ( 5.876 -0.933 3.946) 7.140 8.165 ( 5.232 -1.244 -2.869) 6.095 9.355 ( -0.002 -1.104 2.066) 2.343 10.807 ( -1.453 0.968 -4.198) 4.547 11.124 ( 1.288 -2.568 5.308) 6.035 11.729 ( 3.282 -4.315 2.682) 6.049 12.093 ( -3.399 0.968 -0.990) 3.670 12.989 ( 10.383 2.249 -0.952) 10.666 13.554 ( -5.655 0.504 -1.037) 5.771 17.432 ( -0.095 -7.547 6.612) 10.034 17.980 ( 10.049 0.605 0.142) 10.069 18.705 ( -1.289 2.233 -1.335) 2.903 18.738 ( 3.414 -1.055 1.462) 3.861 20.619 ( -9.262 4.232 -4.860) 11.283 21.099 ( -1.102 0.289 -0.385) 1.202 ======================= Grid point 190 (107/172) ======================= q-point: ( 0.40 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 8.081 -4.136 -1.391) 9.184 1.977 ( -2.593 -6.934 -0.664) 7.433 2.285 ( 4.032 1.629 7.407) 8.589 2.404 ( -3.547 -8.526 -0.696) 9.261 2.956 ( -6.830 4.402 4.560) 9.318 3.051 ( 14.968 -3.739 -9.031) 17.877 3.605 ( 13.515 9.054 3.211) 16.582 4.017 ( -8.842 -3.207 4.499) 10.426 4.233 ( -12.422 1.533 -6.313) 14.018 4.563 ( -5.120 2.069 0.204) 5.526 4.992 ( 1.147 14.155 -7.628) 16.120 5.196 ( 1.135 -8.538 5.925) 10.454 5.780 ( 5.398 1.020 -4.606) 7.169 6.009 ( -1.975 -2.346 6.459) 7.150 7.211 ( -1.539 -0.367 -0.158) 1.590 8.102 ( 3.438 -8.595 -0.511) 9.271 8.241 ( 1.736 4.255 0.452) 4.618 9.355 ( 0.230 -1.257 0.793) 1.504 10.793 ( 0.410 1.999 -1.581) 2.582 11.148 ( 2.017 -3.208 1.977) 4.274 11.741 ( 1.117 -4.004 1.659) 4.476 12.061 ( -0.312 1.002 -0.917) 1.393 13.150 ( 7.474 -0.051 -2.398) 7.849 13.454 ( -7.008 2.264 1.506) 7.517 17.401 ( 1.556 -6.814 2.044) 7.282 18.154 ( 11.974 -5.716 1.408) 13.343 18.674 ( -3.590 3.195 -1.797) 5.131 18.810 ( 4.193 0.286 0.469) 4.229 20.485 ( -10.601 7.301 -1.252) 12.933 21.079 ( -1.191 0.167 -0.278) 1.235 ======================= Grid point 191 (108/172) ======================= q-point: (-0.50 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 22.780 3.430 1.783) 23.106 1.852 ( -2.495 -8.861 -2.749) 9.607 2.214 ( -4.390 -2.637 -7.413) 9.010 2.480 ( 5.266 -1.269 10.932) 12.201 2.924 ( -4.469 4.192 2.436) 6.594 3.164 ( 10.288 -7.813 -9.433) 15.996 3.696 ( -14.025 0.547 -5.464) 15.062 3.982 ( 7.572 8.990 5.237) 12.868 4.138 ( 1.701 -3.070 1.420) 3.786 4.555 ( -2.710 8.935 1.623) 9.477 4.892 ( -15.803 3.544 0.105) 16.196 5.261 ( 5.348 2.444 3.811) 7.007 5.647 ( -8.778 -9.386 -3.101) 13.220 6.157 ( 10.086 2.467 -1.793) 10.537 7.206 ( 1.137 -0.081 0.103) 1.145 8.052 ( 1.083 -7.735 -0.709) 7.843 8.278 ( -0.550 0.469 0.364) 0.810 9.355 ( 0.814 -0.357 -0.806) 1.200 10.822 ( 0.666 2.129 0.451) 2.276 11.166 ( 3.404 -2.360 -1.473) 4.396 11.717 ( -0.118 -3.378 0.014) 3.380 12.092 ( 2.772 1.282 -0.132) 3.057 13.129 ( -3.634 -6.536 -2.469) 7.875 13.450 ( -0.394 5.667 2.759) 6.315 17.397 ( 4.619 -4.765 -1.318) 6.766 18.250 ( 7.459 -9.300 -1.277) 11.990 18.634 ( -2.827 1.626 -0.277) 3.273 18.876 ( 4.002 -0.849 -1.907) 4.514 20.407 ( -9.960 11.277 3.693) 15.492 21.064 ( -0.738 0.370 0.282) 0.872 ======================= Grid point 192 (109/172) ======================= q-point: (-0.40 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -4.569 -8.737 -11.229) 14.943 2.029 ( -3.137 -11.853 -5.578) 13.471 2.140 ( 18.042 7.635 8.446) 21.334 2.615 ( -0.033 8.779 1.289) 8.873 2.965 ( 4.654 4.230 4.474) 7.718 3.102 ( 1.984 -10.633 -4.478) 11.707 3.451 ( -6.678 -1.993 -10.161) 12.321 4.062 ( -1.499 -6.948 6.446) 9.595 4.291 ( 6.269 4.287 1.539) 7.749 4.596 ( -7.184 9.446 0.308) 11.872 4.774 ( -2.719 14.455 2.312) 14.889 5.312 ( -6.824 -14.845 -7.017) 17.782 5.448 ( 1.535 6.698 7.433) 10.123 6.256 ( 1.785 1.160 -3.916) 4.457 7.245 ( 2.620 1.250 0.433) 2.935 7.992 ( 0.422 -6.345 -0.628) 6.390 8.238 ( -2.056 -4.035 -0.283) 4.537 9.367 ( 1.552 0.914 -2.192) 2.837 10.849 ( -0.576 1.601 1.694) 2.401 11.197 ( 4.454 -0.515 -4.671) 6.474 11.687 ( 1.348 -3.489 -1.384) 3.988 12.156 ( 2.712 1.827 -0.124) 3.272 12.948 ( -7.106 -8.346 0.075) 10.961 13.520 ( 0.535 3.257 2.344) 4.048 17.448 ( 7.891 -2.583 -3.738) 9.106 18.201 ( -0.368 -6.885 -6.491) 9.470 18.615 ( 0.007 -2.042 2.042) 2.887 18.876 ( 0.721 -4.316 -2.787) 5.188 20.434 ( -6.174 13.649 7.802) 16.890 21.067 ( -0.086 0.677 0.937) 1.159 ======================= Grid point 193 (110/172) ======================= q-point: (-0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -0.861 -10.521 -13.786) 17.363 1.731 ( -10.447 -16.168 -4.649) 19.803 2.444 ( 6.055 1.984 8.128) 10.328 2.626 ( -3.659 5.784 -4.211) 8.036 3.002 ( -3.275 -14.028 7.225) 16.116 3.133 ( 0.069 5.781 -5.717) 8.131 3.500 ( 20.928 9.940 -1.895) 23.246 3.922 ( -6.081 -13.624 1.110) 14.961 4.328 ( -2.985 3.475 -1.522) 4.827 4.630 ( -2.147 11.416 1.410) 11.701 4.937 ( -3.081 -5.999 -16.471) 17.799 5.006 ( -0.811 11.195 2.160) 11.430 5.682 ( 5.631 9.700 15.871) 19.434 6.198 ( -4.164 -1.656 -3.729) 5.829 7.315 ( 2.678 2.623 0.797) 3.832 7.931 ( 0.294 -5.835 -1.921) 6.150 8.134 ( -2.804 -8.297 -0.646) 8.782 9.390 ( 1.562 2.208 -3.088) 4.105 10.858 ( -1.765 1.232 2.484) 3.286 11.225 ( 3.223 1.086 -7.211) 7.973 11.677 ( 3.407 -4.192 -2.783) 6.077 12.198 ( 0.089 2.396 -0.710) 2.501 12.768 ( -4.574 -9.553 2.162) 10.810 13.560 ( -0.215 0.636 3.609) 3.671 17.549 ( 9.771 -1.110 -5.258) 11.151 18.028 ( -6.718 -4.161 -9.996) 12.742 18.619 ( 1.783 -4.194 2.666) 5.280 18.790 ( -3.125 -5.048 -1.053) 6.029 20.561 ( -1.451 12.505 9.126) 15.549 21.084 ( 0.332 0.663 1.241) 1.445 ======================= Grid point 194 (111/172) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 10.288 -11.901 -11.454) 19.459 1.368 ( -9.115 -17.512 -1.081) 19.772 2.534 ( 2.091 -5.761 5.865) 8.483 2.647 ( 4.252 2.680 -5.654) 7.565 2.765 ( -9.429 -17.769 11.876) 23.360 3.209 ( 2.492 9.360 -7.686) 12.365 3.536 ( -11.430 -6.209 -6.648) 14.608 4.048 ( 13.524 5.448 5.453) 15.567 4.298 ( -1.930 8.505 -8.368) 12.087 4.648 ( -4.413 -5.038 -12.060) 13.795 4.738 ( 2.786 7.272 3.134) 8.394 5.172 ( 1.399 13.084 -5.867) 14.407 5.946 ( -11.141 10.773 15.250) 21.742 6.141 ( 11.316 -0.094 0.500) 11.328 7.378 ( 0.528 2.704 0.722) 2.848 7.873 ( 2.401 -5.982 -3.682) 7.423 7.991 ( -2.474 -11.139 0.454) 11.420 9.413 ( 0.633 3.246 -3.427) 4.762 10.848 ( -2.736 0.587 3.023) 4.119 11.215 ( 0.434 2.109 -8.623) 8.888 11.662 ( 2.057 -5.052 -3.458) 6.459 12.203 ( -1.282 2.678 -0.495) 3.010 12.656 ( 0.456 -9.890 2.364) 10.179 13.590 ( 0.384 -0.678 5.765) 5.817 17.643 ( 5.925 -1.092 -8.686) 10.571 17.790 ( -8.110 -2.759 -6.004) 10.461 18.611 ( 0.324 -5.177 1.923) 5.532 18.712 ( -0.515 -2.155 0.409) 2.253 20.730 ( 1.118 9.703 7.860) 12.537 21.104 ( 0.394 0.230 1.111) 1.201 ======================= Grid point 195 (112/172) ======================= q-point: (-0.10 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -0.123 -13.746 -7.965) 15.888 1.421 ( 23.532 -15.968 0.682) 28.447 2.434 ( -17.953 -4.065 -1.212) 18.447 2.516 ( 3.934 -14.727 -0.274) 15.246 2.741 ( 4.124 -7.680 8.376) 12.089 3.183 ( 2.157 -0.601 -1.882) 2.925 3.509 ( 3.757 12.548 -0.747) 13.119 4.112 ( -7.886 -0.183 5.340) 9.525 4.150 ( -6.328 1.740 -24.714) 25.570 4.674 ( 5.947 5.292 -4.869) 9.332 4.904 ( 4.224 7.243 3.639) 9.140 5.205 ( -5.700 8.267 -3.963) 10.795 5.837 ( -7.024 -1.379 6.565) 9.713 6.444 ( 6.349 13.231 3.204) 15.021 7.384 ( -2.325 1.248 0.712) 2.733 7.842 ( 2.236 -7.119 -3.565) 8.269 7.892 ( 4.179 -9.221 2.090) 10.337 9.416 ( -1.387 3.395 -3.232) 4.888 10.832 ( -1.600 -0.521 4.049) 4.385 11.165 ( -1.892 2.704 -7.615) 8.299 11.597 ( -0.721 -5.176 -2.302) 5.710 12.208 ( -1.472 2.409 0.799) 2.934 12.624 ( 5.443 -9.535 0.393) 10.986 13.644 ( 0.996 0.243 5.799) 5.889 17.499 ( -7.237 0.434 -9.375) 11.851 17.745 ( 1.450 -4.449 2.836) 5.472 18.595 ( 2.409 -2.648 -0.002) 3.580 18.716 ( 1.718 -1.342 -0.260) 2.196 20.871 ( 0.516 7.204 4.028) 8.269 21.115 ( 0.125 -0.231 0.763) 0.807 ======================= Grid point 229 (113/172) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 0.000 -0.000 14.271) 14.271 0.935 ( 0.000 -0.000 14.271) 14.271 2.179 ( 0.000 -0.000 37.153) 37.153 2.736 ( 0.000 -0.000 3.675) 3.675 2.736 ( 0.000 -0.000 3.675) 3.675 2.851 ( -0.000 0.000 -0.015) 0.015 4.004 ( -0.000 0.000 -14.110) 14.110 4.601 ( 0.000 -0.000 8.976) 8.976 4.601 ( 0.000 -0.000 8.976) 8.976 5.030 ( -0.000 0.000 -7.150) 7.150 5.030 ( -0.000 0.000 -7.150) 7.150 5.807 ( 0.000 -0.000 1.900) 1.900 5.807 ( 0.000 0.000 1.900) 1.900 6.364 ( -0.000 0.000 -9.978) 9.978 7.250 ( -0.000 0.000 -8.612) 8.612 7.693 ( 0.000 -0.000 6.717) 6.717 7.693 ( 0.000 -0.000 6.717) 6.717 9.718 ( 0.000 -0.000 5.904) 5.904 11.529 ( 0.000 -0.000 3.191) 3.191 11.529 ( 0.000 -0.000 3.191) 3.191 11.529 ( 0.000 -0.000 11.854) 11.854 12.216 ( -0.000 0.000 -2.873) 2.873 12.216 ( -0.000 0.000 -2.873) 2.873 12.655 ( -0.000 0.000 -3.822) 3.822 17.601 ( -0.000 0.000 -1.376) 1.376 17.601 ( -0.000 0.000 -1.376) 1.376 18.613 ( 0.000 -0.000 0.808) 0.808 18.613 ( 0.000 -0.000 0.808) 0.808 20.960 ( -0.000 0.000 -0.485) 0.485 21.145 ( 0.000 -0.000 1.813) 1.813 ======================= Grid point 230 (114/172) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 15.354 17.184 7.019) 24.089 1.365 ( 18.129 7.797 8.413) 21.453 2.342 ( -1.599 -1.323 11.329) 11.517 2.509 ( -4.256 -25.005 10.888) 27.602 2.695 ( -11.653 12.985 6.343) 18.564 3.271 ( 15.747 11.505 17.549) 26.235 3.760 ( -7.854 -3.940 -9.599) 13.013 4.408 ( -22.728 -14.872 6.354) 27.894 4.639 ( 0.261 -4.404 2.726) 5.185 4.902 ( 0.617 3.166 -8.322) 8.925 5.175 ( 5.809 2.699 -0.582) 6.432 5.677 ( -5.033 -1.429 0.052) 5.232 5.771 ( -11.350 -4.643 5.941) 13.626 6.357 ( 7.270 1.226 -12.760) 14.737 7.188 ( 0.025 -0.135 -8.599) 8.600 7.691 ( -0.635 -1.211 6.041) 6.194 7.872 ( 7.190 5.197 7.346) 11.518 9.727 ( -2.818 -1.725 6.129) 6.963 11.253 ( -18.362 -9.119 7.537) 21.843 11.547 ( 0.321 0.072 3.650) 3.665 11.584 ( -4.605 -4.034 8.654) 10.601 12.172 ( -1.994 0.688 -3.164) 3.803 12.313 ( 9.820 3.565 -0.195) 10.449 12.911 ( 18.458 10.969 -9.289) 23.395 17.583 ( -1.037 3.342 -1.501) 3.808 17.652 ( 3.765 -1.159 0.305) 3.952 18.583 ( -1.598 0.254 0.423) 1.672 18.669 ( 3.580 0.867 1.090) 3.841 20.952 ( -0.685 -0.532 -0.599) 1.054 21.114 ( -3.027 -1.749 0.523) 3.535 ======================= Grid point 231 (115/172) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 10.823 29.968 -1.770) 31.911 1.733 ( 21.193 -1.624 3.074) 21.476 2.216 ( -2.751 -8.590 -3.819) 9.795 2.436 ( 1.452 -14.210 19.519) 24.187 2.740 ( -7.766 11.703 15.214) 20.706 3.367 ( -9.311 0.740 -7.845) 12.198 3.750 ( -17.118 -10.784 4.990) 20.838 4.068 ( 12.403 1.835 16.355) 20.608 4.602 ( -0.909 -4.549 -1.043) 4.755 4.807 ( -5.412 -6.292 -5.029) 9.704 5.117 ( -12.790 -1.094 -2.743) 13.127 5.565 ( -10.515 -4.649 5.267) 12.646 5.700 ( 4.813 3.232 2.539) 6.329 6.359 ( 2.703 -1.236 -13.418) 13.743 7.132 ( 0.117 -0.334 -6.342) 6.352 7.727 ( 1.309 -1.208 5.572) 5.850 8.104 ( 7.619 5.802 6.723) 11.701 9.683 ( -4.628 -2.972 5.486) 7.768 10.971 ( -12.517 -5.040 5.683) 14.641 11.476 ( -6.945 -5.534 4.912) 10.148 11.600 ( 2.261 -0.325 4.495) 5.042 12.121 ( -2.534 1.072 -2.801) 3.926 12.561 ( 12.288 5.370 2.986) 13.739 13.191 ( 12.462 7.468 -10.065) 17.674 17.608 ( 0.863 4.009 -0.987) 4.218 17.673 ( -0.793 -4.033 5.204) 6.632 18.595 ( 1.300 3.372 -1.164) 3.797 18.754 ( 4.238 0.984 1.483) 4.597 20.894 ( -4.217 -2.273 -1.778) 5.110 21.053 ( -1.124 -1.040 -2.002) 2.521 ======================= Grid point 232 (116/172) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -8.134 -8.414 -0.205) 11.705 2.082 ( 1.864 -1.945 -4.384) 5.146 2.289 ( 11.952 18.088 -1.671) 21.744 2.492 ( -3.012 -5.138 19.359) 20.254 2.806 ( -6.132 3.944 12.695) 14.640 3.160 ( -1.080 -5.793 -2.035) 6.234 3.484 ( -1.473 0.314 -0.477) 1.580 4.414 ( -12.248 -9.398 -3.933) 15.931 4.535 ( 16.258 2.431 12.372) 20.574 4.665 ( 0.064 -2.093 -0.195) 2.103 4.788 ( -17.404 -2.647 -7.204) 19.022 5.401 ( -8.752 -2.667 1.793) 9.324 5.847 ( 5.598 1.654 4.017) 7.086 6.223 ( -5.653 -2.649 -12.223) 13.725 7.103 ( 0.730 -0.008 -3.092) 3.177 7.785 ( 2.351 -1.521 5.799) 6.440 8.305 ( 5.210 4.050 5.145) 8.368 9.598 ( -5.569 -3.807 3.980) 7.832 10.820 ( -6.021 -1.171 2.697) 6.700 11.340 ( -6.345 -5.007 3.269) 8.719 11.677 ( 3.417 -1.002 4.980) 6.122 12.072 ( -2.584 1.384 -2.028) 3.565 12.826 ( 9.830 5.065 3.774) 11.685 13.337 ( 7.090 4.160 -8.722) 11.985 17.630 ( -2.567 -8.648 10.413) 13.778 17.673 ( 1.128 5.763 -0.642) 5.907 18.658 ( 1.829 5.387 -1.958) 6.017 18.838 ( 3.036 0.586 2.455) 3.948 20.759 ( -4.856 -2.396 -6.579) 8.521 21.032 ( 0.804 -0.303 -2.012) 2.188 ======================= Grid point 233 (117/172) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -7.848 -13.182 10.112) 18.374 1.966 ( -8.596 -1.392 -3.744) 9.479 2.304 ( -8.221 -4.999 7.111) 11.964 2.686 ( -0.012 15.830 6.783) 17.222 2.827 ( -0.057 -1.816 7.488) 7.705 3.296 ( 18.762 -4.839 -0.751) 19.391 3.603 ( 5.376 9.244 0.333) 10.699 4.072 ( -11.651 -8.009 -3.023) 14.458 4.384 ( -18.525 -1.019 -8.561) 20.433 4.631 ( 5.474 -6.150 -1.148) 8.313 4.840 ( 2.002 0.342 -3.030) 3.647 5.307 ( -0.698 2.366 3.978) 4.681 5.864 ( -5.326 -9.410 -6.126) 12.427 6.053 ( -3.420 4.799 1.476) 6.075 7.120 ( 2.562 1.144 -0.853) 2.933 7.852 ( 2.202 -1.537 6.084) 6.650 8.409 ( 0.566 1.226 2.752) 3.065 9.490 ( -5.379 -3.863 2.323) 7.018 10.778 ( -0.911 1.540 0.361) 1.826 11.227 ( -4.871 -4.138 3.608) 7.340 11.752 ( 2.729 -2.452 5.160) 6.331 12.042 ( -1.541 2.330 -1.053) 2.986 12.999 ( 3.210 2.686 1.531) 4.457 13.415 ( 5.641 2.749 -5.747) 8.509 17.580 ( -3.595 -8.014 13.783) 16.344 17.745 ( 2.091 3.685 -0.352) 4.251 18.714 ( 0.309 4.956 -1.765) 5.270 18.886 ( -0.513 -0.371 3.752) 3.805 20.626 ( -0.945 -0.689 -11.512) 11.571 21.041 ( 1.544 0.217 -1.234) 1.989 ======================= Grid point 234 (118/172) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 6.257 -7.600 19.256) 21.627 1.771 ( -12.762 3.044 0.930) 13.153 2.207 ( 0.586 -7.171 3.060) 7.818 2.738 ( -6.221 5.004 2.093) 8.254 2.919 ( 1.936 2.580 6.732) 7.465 3.442 ( -3.185 -1.111 -9.354) 9.943 3.659 ( 7.026 -8.630 1.300) 11.205 4.008 ( -2.946 9.889 -4.974) 11.455 4.110 ( -4.261 3.877 2.560) 6.304 4.638 ( -2.168 -11.428 -5.802) 12.999 4.710 ( 3.526 1.368 -8.076) 8.918 5.326 ( -11.892 -4.705 3.647) 13.299 5.660 ( 4.539 0.724 -8.173) 9.377 6.110 ( -0.269 2.525 5.390) 5.958 7.195 ( 4.375 2.277 0.404) 4.949 7.906 ( 0.844 -1.774 5.862) 6.182 8.378 ( -5.016 -1.690 -0.257) 5.299 9.395 ( -3.421 -2.755 1.647) 4.691 10.809 ( 1.951 3.068 -1.630) 3.985 11.154 ( -3.360 -3.214 5.543) 7.235 11.774 ( -0.322 -4.370 4.414) 6.219 12.064 ( 1.127 3.547 0.363) 3.740 12.994 ( -3.941 -0.940 -2.069) 4.549 13.508 ( 5.519 2.527 -2.371) 6.516 17.562 ( -2.205 -6.904 15.316) 16.944 17.796 ( 0.278 2.677 0.105) 2.694 18.736 ( -0.799 2.867 -1.355) 3.270 18.858 ( -4.955 -1.321 3.381) 6.143 20.571 ( 4.615 1.683 -13.372) 14.245 21.067 ( 1.793 0.550 -0.662) 1.989 ======================= Grid point 235 (119/172) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -5.354 -13.456 8.662) 16.875 1.648 ( -13.364 2.224 4.094) 14.153 2.374 ( 19.058 0.616 7.838) 20.616 2.663 ( -5.523 0.548 -2.601) 6.129 2.995 ( 1.031 -0.434 7.458) 7.541 3.172 ( -15.677 1.088 -10.194) 18.732 3.644 ( -6.278 5.312 -5.795) 10.061 4.034 ( 8.955 -4.618 -4.269) 10.942 4.180 ( -3.839 1.341 6.285) 7.486 4.521 ( 6.129 -1.900 1.359) 6.559 4.807 ( 0.871 -0.371 3.880) 3.994 5.025 ( -7.113 -3.955 -2.660) 8.563 5.807 ( 10.667 8.760 -12.559) 18.662 6.144 ( -0.335 -1.789 4.742) 5.080 7.299 ( 4.550 2.252 0.640) 5.117 7.920 ( -1.445 -2.699 5.141) 5.983 8.217 ( -9.554 -3.843 -2.232) 10.537 9.362 ( 0.068 -0.790 2.271) 2.405 10.851 ( 1.019 3.092 -3.777) 4.987 11.143 ( -0.742 -1.451 8.193) 8.353 11.731 ( -2.513 -4.869 3.698) 6.610 12.135 ( 2.302 3.293 1.040) 4.151 12.853 ( -7.452 -3.601 -3.033) 8.815 13.587 ( 3.230 1.408 -2.461) 4.298 17.591 ( 0.056 -5.767 14.638) 15.734 17.806 ( -3.048 3.136 1.518) 4.629 18.717 ( -2.038 -2.131 -0.780) 3.050 18.765 ( -5.935 0.770 0.511) 6.006 20.617 ( 8.240 3.367 -11.530) 14.566 21.094 ( 1.369 0.352 -0.646) 1.554 ======================= Grid point 240 (120/172) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 5.382 0.740 9.830) 11.232 1.523 ( -0.927 27.565 5.044) 28.038 2.334 ( -2.220 -8.657 -7.656) 11.768 2.494 ( -4.783 -16.330 20.675) 26.776 2.937 ( 4.752 3.069 8.319) 10.060 3.387 ( 2.617 16.539 28.282) 32.867 3.668 ( -0.481 -7.506 -11.471) 13.716 4.598 ( -1.551 -15.285 6.730) 16.773 4.683 ( -5.992 -0.610 -0.899) 6.089 4.817 ( 6.382 1.739 -5.860) 8.837 5.021 ( -1.632 -6.782 -0.627) 7.003 5.635 ( 0.983 -9.752 -0.260) 9.805 5.961 ( 4.381 5.715 0.893) 7.256 6.144 ( -5.006 -7.659 -11.140) 14.416 7.140 ( -0.102 2.639 -8.576) 8.974 7.776 ( -1.619 2.454 7.037) 7.627 7.891 ( 1.713 6.133 6.440) 9.057 9.766 ( -0.047 -3.950 5.900) 7.101 11.282 ( 1.141 -19.985 6.528) 21.055 11.614 ( -0.076 0.863 4.863) 4.940 11.660 ( -1.702 -3.695 7.527) 8.556 12.182 ( 3.008 0.677 -3.599) 4.739 12.273 ( -2.749 9.056 -0.155) 9.465 12.837 ( 0.309 18.868 -7.909) 20.461 17.591 ( 3.305 2.105 -0.832) 4.006 17.670 ( -3.161 8.177 -1.170) 8.845 18.613 ( 3.629 -1.135 1.315) 4.024 18.633 ( -3.406 0.640 0.544) 3.508 20.943 ( -0.045 -2.230 -0.117) 2.234 21.109 ( -0.006 -5.274 0.405) 5.290 ======================= Grid point 241 (121/172) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 24.739 7.963 6.179) 26.713 1.815 ( 1.226 23.984 -4.596) 24.452 2.122 ( -0.844 -11.261 1.068) 11.343 2.475 ( -2.182 -9.602 19.609) 21.942 3.031 ( -2.321 5.085 11.683) 12.951 3.435 ( -6.459 -2.335 -15.079) 16.569 3.844 ( 2.803 1.139 19.343) 19.578 4.209 ( -16.301 -10.235 11.277) 22.308 4.620 ( -3.910 1.071 0.201) 4.059 4.765 ( -2.380 -8.185 -5.726) 10.269 5.095 ( 7.437 -5.705 -2.528) 9.708 5.528 ( 2.399 -15.087 -5.856) 16.361 5.808 ( -11.941 -0.340 3.690) 12.503 6.164 ( 9.033 -1.164 -7.777) 11.977 7.115 ( -0.731 4.508 -6.235) 7.728 7.796 ( -3.308 3.049 5.990) 7.491 8.085 ( 6.870 6.040 6.049) 10.966 9.738 ( -2.344 -5.531 5.127) 7.898 11.102 ( -6.864 -13.161 5.477) 15.822 11.559 ( -5.737 -7.039 4.406) 10.093 11.645 ( -2.759 3.085 4.110) 5.833 12.163 ( -2.257 1.810 -3.199) 4.314 12.456 ( 9.903 8.801 3.286) 13.650 13.040 ( 8.643 13.864 -8.569) 18.448 17.636 ( -0.240 0.777 -0.049) 0.815 17.727 ( -0.874 10.949 0.308) 10.988 18.609 ( -0.105 1.796 -0.096) 1.801 18.691 ( 4.638 0.028 1.673) 4.931 20.889 ( -1.689 -7.862 0.174) 8.043 21.043 ( -1.318 -2.896 -1.880) 3.695 ======================= Grid point 242 (122/172) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -3.929 -3.092 -0.083) 5.000 1.884 ( 14.221 -2.324 -1.802) 14.522 2.296 ( 7.644 18.508 0.092) 20.025 2.548 ( 3.532 -2.673 20.345) 20.822 3.090 ( -11.176 2.750 3.304) 11.975 3.189 ( -5.307 -1.898 -5.795) 8.084 3.571 ( -12.242 -11.140 6.426) 17.756 4.349 ( 3.849 -3.858 12.437) 13.579 4.526 ( -6.921 -10.587 -1.157) 12.702 4.658 ( 3.739 5.775 0.841) 6.931 4.915 ( -11.318 -10.406 -11.154) 18.995 5.404 ( 2.166 -11.667 -2.696) 12.169 5.787 ( 2.201 -0.446 6.711) 7.077 6.184 ( 0.910 0.954 -9.389) 9.481 7.113 ( -1.297 4.486 -2.229) 5.174 7.823 ( -1.467 2.501 5.688) 6.385 8.281 ( 6.087 3.610 4.678) 8.483 9.659 ( -4.084 -6.211 3.700) 8.304 10.924 ( -6.724 -5.531 2.969) 9.199 11.417 ( -6.354 -5.585 2.586) 8.846 11.677 ( 0.283 1.135 4.650) 4.795 12.119 ( -2.695 1.777 -2.323) 3.978 12.746 ( 10.914 8.029 4.450) 14.261 13.212 ( 6.478 7.776 -8.299) 13.088 17.624 ( -1.074 -2.259 2.436) 3.491 17.807 ( -3.348 9.986 3.432) 11.077 18.670 ( 2.837 5.989 -0.986) 6.700 18.780 ( 4.831 -0.373 1.597) 5.102 20.731 ( -3.889 -11.274 -3.719) 12.492 21.008 ( 0.166 0.044 -2.037) 2.045 ======================= Grid point 243 (123/172) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -8.815 -8.501 7.538) 14.381 1.996 ( 1.348 0.846 -4.016) 4.320 2.459 ( -4.444 -2.690 9.403) 10.742 2.778 ( 2.128 -5.132 0.647) 5.593 2.874 ( 0.364 9.008 8.085) 12.109 3.149 ( -2.298 2.767 -2.454) 4.354 3.571 ( 6.259 5.275 5.758) 10.007 4.152 ( -11.890 -11.580 -4.651) 17.237 4.455 ( 3.659 -6.213 -0.382) 7.220 4.531 ( -10.127 -11.716 -7.381) 17.155 4.810 ( 2.389 0.974 -0.472) 2.623 5.329 ( 0.263 -1.395 -0.592) 1.538 5.838 ( -1.694 -2.884 0.966) 3.481 6.124 ( -1.461 1.778 -3.410) 4.114 7.125 ( -0.850 3.312 0.637) 3.478 7.877 ( 0.267 2.114 5.754) 6.136 8.406 ( 3.025 0.548 2.532) 3.983 9.545 ( -4.815 -5.905 2.131) 7.912 10.824 ( -3.266 -0.716 0.622) 3.401 11.292 ( -5.082 -4.325 2.837) 7.251 11.731 ( 1.605 -0.989 4.858) 5.211 12.083 ( -1.843 1.732 -1.194) 2.797 12.995 ( 5.575 7.446 2.881) 9.738 13.300 ( 5.412 2.909 -6.412) 8.880 17.594 ( -1.025 -6.306 6.029) 8.785 17.868 ( -3.984 9.797 4.945) 11.675 18.761 ( 0.047 7.035 -0.666) 7.067 18.866 ( 4.742 -1.369 2.265) 5.430 20.529 ( -2.105 -8.778 -9.636) 13.204 21.012 ( 1.202 0.626 -1.163) 1.786 ======================= Grid point 244 (124/172) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -0.030 -4.648 19.306) 19.858 1.956 ( -4.080 5.047 -1.674) 6.703 2.289 ( -13.377 -7.960 9.218) 18.091 2.752 ( 4.796 -6.985 -5.776) 10.255 3.048 ( -2.646 6.739 9.337) 11.815 3.160 ( 7.614 -3.719 -5.315) 10.002 3.711 ( -8.724 -4.295 -3.468) 10.324 3.942 ( 9.412 3.839 0.795) 10.196 4.298 ( -6.300 3.744 -4.837) 8.781 4.477 ( 5.320 -8.986 -0.999) 10.491 4.691 ( -7.070 -1.896 -9.213) 11.767 5.407 ( 5.175 2.033 1.360) 5.724 5.646 ( -12.805 -3.460 -5.171) 14.236 6.154 ( 1.294 0.286 4.609) 4.796 7.167 ( 1.895 2.355 1.503) 3.376 7.941 ( 0.059 1.733 5.428) 5.698 8.416 ( -1.923 -2.136 -0.331) 2.893 9.432 ( -3.801 -4.443 1.295) 5.988 10.807 ( 0.292 1.789 -0.863) 2.007 11.211 ( -3.160 -3.590 4.428) 6.518 11.760 ( 0.357 -3.539 4.095) 5.424 12.085 ( 0.409 2.340 0.273) 2.391 13.063 ( -4.262 4.375 -2.400) 6.562 13.403 ( 7.771 1.388 -1.471) 8.029 17.562 ( 0.021 -8.613 7.783) 11.609 17.934 ( -3.991 9.208 6.591) 12.007 18.783 ( -2.385 3.080 -1.087) 4.045 18.916 ( -0.159 -2.245 3.945) 4.542 20.398 ( 3.584 -2.316 -13.769) 14.415 21.039 ( 1.702 0.854 -0.645) 2.010 ======================= Grid point 245 (125/172) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -6.445 -6.360 14.729) 17.290 1.999 ( -16.669 2.245 9.566) 19.349 2.148 ( 14.239 1.869 6.088) 15.599 2.674 ( -0.978 -1.851 -12.282) 12.459 3.066 ( -3.696 -2.413 8.520) 9.595 3.231 ( 9.133 -5.472 -9.254) 14.106 3.438 ( -5.806 -10.515 0.629) 12.028 4.184 ( -6.004 12.503 -9.235) 16.663 4.276 ( -3.319 -1.227 6.437) 7.345 4.369 ( 7.632 2.236 -2.518) 8.341 4.692 ( 10.403 3.550 -3.335) 11.486 5.262 ( -20.348 -4.362 4.226) 21.235 5.581 ( 10.371 1.366 -9.987) 14.463 6.195 ( -0.813 -0.248 5.145) 5.215 7.246 ( 4.000 1.187 0.959) 4.281 7.974 ( -1.876 0.397 4.413) 4.812 8.304 ( -6.710 -3.587 -2.106) 7.894 9.369 ( -0.891 -2.232 1.754) 2.976 10.838 ( 1.442 2.681 -2.172) 3.740 11.185 ( -0.620 -3.096 6.474) 7.203 11.734 ( -1.331 -5.012 3.107) 6.045 12.138 ( 2.116 2.218 1.178) 3.284 12.951 ( -8.651 0.890 -3.549) 9.393 13.520 ( 5.026 1.150 -1.028) 5.258 17.544 ( 2.029 -9.503 7.168) 12.075 17.998 ( -5.125 7.859 9.137) 13.096 18.727 ( -3.235 -2.618 -2.170) 4.693 18.874 ( -4.951 -1.515 3.077) 6.022 20.419 ( 8.760 4.385 -13.044) 16.313 21.069 ( 1.500 0.622 -0.736) 1.783 ======================= Grid point 250 (126/172) ======================= q-point: ( 0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -20.449 4.271 6.309) 21.822 1.855 ( -3.893 24.009 2.751) 24.478 2.217 ( -0.510 -8.251 -6.912) 10.775 2.569 ( -2.864 -12.522 17.861) 22.001 2.887 ( 7.475 2.579 11.901) 14.289 3.367 ( 9.642 -1.986 -6.515) 11.805 3.877 ( -4.593 3.329 19.656) 20.458 4.253 ( 15.733 -8.244 6.584) 18.943 4.706 ( 5.094 3.155 -4.304) 7.377 4.758 ( -3.815 -3.159 -5.938) 7.732 5.026 ( -2.336 -15.120 -0.598) 15.311 5.538 ( -4.019 -14.513 -1.847) 15.172 5.751 ( 10.559 -1.284 2.478) 10.922 6.227 ( -7.288 1.537 -9.915) 12.401 7.118 ( 0.601 4.556 -6.403) 7.881 7.848 ( 3.160 5.981 7.417) 10.039 8.040 ( -7.359 3.907 4.965) 9.699 9.741 ( 2.188 -5.260 4.934) 7.537 11.067 ( 7.656 -14.598 6.045) 17.557 11.599 ( 5.469 -6.335 5.055) 9.777 11.678 ( 1.535 5.361 5.249) 7.659 12.104 ( 2.741 -0.273 -4.020) 4.873 12.490 ( -9.765 9.399 2.535) 13.789 13.031 ( -8.539 13.730 -8.958) 18.485 17.578 ( 0.637 2.807 -0.638) 2.948 17.800 ( -0.306 10.502 2.669) 10.840 18.557 ( 1.202 -2.046 0.124) 2.377 18.715 ( -4.515 1.495 0.390) 4.772 20.883 ( 1.992 -8.424 -0.338) 8.663 21.050 ( 0.944 -2.181 -1.698) 2.921 ======================= Grid point 251 (127/172) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 7.095 13.805 9.202) 18.044 1.979 ( -7.428 -0.242 -5.536) 9.267 2.121 ( 2.057 15.401 4.442) 16.160 2.562 ( -1.942 -9.375 18.881) 21.170 3.007 ( 7.287 -6.488 2.229) 10.008 3.403 ( -1.706 3.019 -9.663) 10.266 4.069 ( -5.309 2.967 24.132) 24.886 4.280 ( 1.825 -16.719 1.905) 16.925 4.638 ( 0.350 -8.484 -1.575) 8.637 4.711 ( -2.026 -4.596 -0.395) 5.038 4.919 ( 4.345 -0.190 -3.688) 5.703 5.269 ( -1.992 -20.393 -7.864) 21.947 5.865 ( 4.659 -7.500 -1.384) 8.937 6.093 ( -4.796 5.640 -0.855) 7.452 7.138 ( -0.053 6.692 -5.401) 8.600 7.956 ( -4.992 4.972 6.692) 9.717 8.080 ( 4.543 5.560 3.845) 8.144 9.730 ( -0.111 -7.012 4.240) 8.195 11.038 ( 1.551 -13.670 4.682) 14.533 11.582 ( -1.918 -7.492 3.140) 8.347 11.763 ( -2.336 4.285 4.035) 6.332 12.136 ( 3.456 0.328 -4.294) 5.522 12.500 ( -1.440 10.405 3.661) 11.124 13.059 ( 0.504 15.434 -7.122) 17.005 17.636 ( 1.740 3.206 -0.405) 3.670 17.904 ( -3.396 16.844 0.010) 17.183 18.578 ( 2.751 -3.607 0.613) 4.578 18.685 ( -0.634 2.994 1.463) 3.392 20.792 ( 0.486 -15.169 0.314) 15.180 21.023 ( -0.459 -0.933 -1.929) 2.192 ======================= Grid point 252 (128/172) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 14.782 7.041 2.768) 16.605 1.801 ( -7.760 -0.969 2.795) 8.305 2.391 ( 3.176 19.190 1.637) 19.520 2.615 ( 2.539 -3.078 17.535) 17.983 3.069 ( 8.539 -7.008 -6.860) 13.003 3.271 ( -10.302 1.660 -5.927) 12.001 3.756 ( -17.747 -15.581 10.726) 25.938 4.405 ( 1.630 -10.335 6.986) 12.581 4.510 ( -3.923 -7.772 6.787) 11.039 4.643 ( 0.826 -1.499 0.491) 1.780 4.798 ( -3.663 -15.591 -19.324) 25.098 5.194 ( 8.202 -2.372 2.752) 8.971 5.822 ( -0.124 -4.698 4.311) 6.377 6.117 ( 1.039 3.763 -4.337) 5.835 7.166 ( -0.393 6.169 -3.042) 6.889 7.953 ( -4.854 4.378 5.231) 8.372 8.243 ( 5.659 3.280 3.231) 7.295 9.667 ( -2.115 -7.487 3.158) 8.397 10.948 ( -1.975 -8.613 2.464) 9.174 11.472 ( -4.829 -6.019 1.577) 7.876 11.762 ( -4.091 3.118 3.765) 6.375 12.141 ( -0.102 0.864 -3.599) 3.703 12.690 ( 8.397 8.695 4.349) 12.846 13.179 ( 2.546 11.511 -6.285) 13.360 17.657 ( -1.802 1.427 0.219) 2.309 18.012 ( -4.052 16.076 1.661) 16.662 18.606 ( 5.707 -1.466 -1.565) 6.097 18.762 ( 1.991 4.927 2.415) 5.837 20.617 ( -1.541 -18.476 -1.101) 18.573 20.999 ( -0.380 0.473 -1.721) 1.825 ======================= Grid point 253 (129/172) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -5.646 -6.507 6.113) 10.564 1.932 ( 4.925 9.343 -1.173) 10.627 2.534 ( -0.130 -1.348 11.437) 11.516 2.776 ( -5.326 3.092 -9.867) 11.631 3.003 ( -0.354 4.479 7.774) 8.979 3.114 ( 2.643 -8.110 -3.935) 9.393 3.615 ( -1.005 -0.626 10.478) 10.544 4.181 ( -9.120 -12.437 -4.690) 16.119 4.384 ( -2.684 -15.660 -3.128) 16.193 4.471 ( -6.309 -5.342 -5.244) 9.790 4.730 ( 5.993 -4.964 2.027) 8.041 5.302 ( 2.260 3.089 -0.544) 3.866 5.855 ( 1.940 -2.971 7.084) 7.924 6.108 ( -0.503 2.646 -6.450) 6.990 7.191 ( -1.336 4.058 -0.481) 4.299 7.965 ( -2.642 3.948 5.139) 6.998 8.360 ( 4.258 0.074 1.542) 4.529 9.567 ( -3.637 -6.865 1.806) 7.976 10.860 ( -2.491 -3.513 0.240) 4.313 11.349 ( -4.863 -4.338 1.459) 6.678 11.762 ( -1.761 1.024 4.233) 4.698 12.112 ( -1.360 0.894 -2.468) 2.957 12.960 ( 10.568 7.212 3.804) 13.348 13.247 ( 0.287 6.432 -5.786) 8.657 17.620 ( -3.233 -1.289 1.725) 3.884 18.087 ( -5.421 11.799 4.903) 13.879 18.722 ( 9.914 -0.960 -1.867) 10.134 18.844 ( -0.651 6.536 0.856) 6.624 20.397 ( -1.964 -15.441 -4.384) 16.171 20.999 ( 0.527 1.020 -0.877) 1.444 ======================= Grid point 254 (130/172) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -2.232 -3.980 12.440) 13.250 2.024 ( -0.475 5.349 -1.093) 5.480 2.481 ( -5.901 -14.107 -4.314) 15.889 2.566 ( -5.389 0.052 8.230) 9.838 3.045 ( 0.766 -2.859 -8.933) 9.411 3.199 ( 1.352 2.932 8.991) 9.553 3.728 ( 2.491 -0.328 -0.064) 2.513 3.889 ( -4.705 -4.225 -2.795) 6.913 4.236 ( 4.071 -6.872 -4.168) 9.009 4.392 ( -0.251 -0.124 0.539) 0.608 4.711 ( -2.407 -2.863 -4.007) 5.481 5.346 ( 2.006 1.641 -1.462) 2.976 5.817 ( -9.283 -0.258 -0.059) 9.287 6.124 ( 4.109 -0.998 1.615) 4.526 7.196 ( -1.107 1.756 1.042) 2.322 8.010 ( -1.009 3.471 4.879) 6.072 8.397 ( 0.975 -2.494 -0.791) 2.792 9.454 ( -3.648 -5.161 0.841) 6.376 10.812 ( -0.537 -0.331 -0.890) 1.091 11.256 ( -3.487 -3.488 2.419) 5.493 11.768 ( -1.168 -1.310 3.660) 4.060 12.093 ( 0.095 0.586 -1.012) 1.173 13.172 ( -1.379 8.619 -0.691) 8.756 13.265 ( 7.075 -0.242 -1.594) 7.257 17.558 ( -2.829 -4.408 3.060) 6.066 18.144 ( -4.542 9.047 7.008) 12.312 18.820 ( 2.725 -3.477 -1.423) 4.641 18.881 ( 0.991 2.452 0.543) 2.700 20.241 ( 1.421 -4.784 -7.776) 9.239 21.021 ( 1.180 1.225 -0.237) 1.717 ======================= Grid point 255 (131/172) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 1.768 -2.454 14.002) 14.325 2.038 ( 2.323 -2.007 1.687) 3.502 2.244 ( -7.199 -12.933 3.463) 15.202 2.544 ( -0.254 5.351 -5.832) 7.919 2.968 ( 1.907 -3.085 -9.093) 9.790 3.212 ( -4.353 -6.123 10.839) 13.188 3.540 ( -9.936 -2.990 -0.500) 10.388 4.056 ( 13.753 3.601 -4.060) 14.785 4.253 ( 2.648 -5.515 -0.878) 6.180 4.450 ( 2.605 6.741 -0.395) 7.237 4.625 ( -3.122 9.559 -5.206) 11.324 5.384 ( 5.185 -1.538 -4.800) 7.231 5.589 ( -16.797 -0.004 1.049) 16.829 6.199 ( 3.521 -2.677 4.817) 6.540 7.215 ( 1.360 0.109 1.056) 1.725 8.045 ( -2.119 1.528 3.695) 4.525 8.335 ( -3.013 -3.385 -2.455) 5.154 9.375 ( -1.698 -2.804 0.966) 3.418 10.820 ( 1.547 1.209 -1.257) 2.331 11.203 ( -1.374 -3.661 3.728) 5.403 11.741 ( -2.107 -2.792 2.196) 4.130 12.115 ( 2.336 -0.132 0.234) 2.351 13.097 ( -8.678 3.227 -2.527) 9.597 13.424 ( 7.686 1.494 0.140) 7.831 17.492 ( -1.097 -6.905 3.496) 7.817 18.204 ( -3.964 5.749 8.623) 11.096 18.732 ( -3.757 -5.117 -4.212) 7.618 18.911 ( 0.515 -3.557 3.287) 4.870 20.264 ( 6.440 7.409 -8.958) 13.290 21.050 ( 1.117 0.994 -0.308) 1.527 ======================= Grid point 260 (132/172) ======================= q-point: ( 0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -17.302 3.315 5.390) 18.423 2.076 ( -0.307 11.916 -2.189) 12.119 2.118 ( -0.123 -3.922 -2.975) 4.924 2.577 ( 1.292 -14.076 15.816) 21.212 2.976 ( -1.532 8.960 9.634) 13.246 3.169 ( 6.789 1.000 -5.247) 8.638 3.645 ( 17.089 -8.057 8.858) 20.866 4.419 ( -3.812 -3.859 6.983) 8.843 4.593 ( 1.677 0.662 1.896) 2.616 4.707 ( 2.023 2.161 -7.827) 8.368 4.770 ( 7.339 -17.244 -5.315) 19.480 5.393 ( 1.601 -12.844 -0.472) 12.952 5.775 ( -6.452 -1.522 5.636) 8.701 6.208 ( 2.963 2.594 -10.964) 11.650 7.114 ( 1.194 4.197 -2.785) 5.177 7.907 ( 3.021 6.532 6.885) 9.959 8.232 ( -8.130 1.679 3.419) 8.978 9.667 ( 3.887 -5.574 3.366) 7.584 10.878 ( 6.075 -7.879 4.312) 10.844 11.457 ( 7.535 -4.488 2.738) 9.188 11.758 ( 0.488 5.813 5.875) 8.279 12.035 ( 1.043 -2.097 -3.250) 4.006 12.766 ( -9.641 8.192 3.673) 13.174 13.202 ( -7.077 7.620 -8.738) 13.583 17.605 ( -1.417 1.139 -0.034) 1.818 17.900 ( 6.124 11.584 9.116) 15.962 18.550 ( -3.387 -1.482 -2.581) 4.509 18.809 ( -4.565 1.050 0.905) 4.771 20.717 ( 3.484 -11.591 -4.062) 12.767 21.025 ( -0.018 0.809 -2.076) 2.228 ======================= Grid point 261 (133/172) ======================= q-point: ( 0.40 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -11.170 14.628 6.996) 19.690 2.016 ( -4.194 -5.484 2.779) 7.442 2.266 ( 7.310 14.288 -1.487) 16.118 2.602 ( 1.198 -9.611 15.168) 17.996 2.898 ( -5.256 -1.470 -4.110) 6.832 3.375 ( 6.046 5.768 -1.017) 8.418 3.924 ( 18.239 -12.095 9.382) 23.811 4.371 ( -9.676 -6.511 12.597) 17.167 4.527 ( 1.547 -18.415 -1.984) 18.586 4.605 ( 1.336 -7.669 -7.076) 10.520 4.726 ( 5.689 -4.265 -10.340) 12.549 5.235 ( -6.626 -5.539 2.414) 8.967 5.745 ( 1.005 -3.967 2.735) 4.922 6.196 ( -1.975 4.575 -4.430) 6.668 7.162 ( 0.732 5.837 -3.223) 6.708 8.077 ( 4.004 6.343 5.268) 9.166 8.144 ( -6.530 2.076 2.808) 7.405 9.673 ( 1.775 -7.209 2.919) 7.978 10.906 ( 3.706 -9.305 3.682) 10.671 11.513 ( 3.501 -6.441 1.144) 7.420 11.861 ( -0.316 5.611 4.665) 7.303 12.035 ( 3.923 -0.798 -4.413) 5.958 12.714 ( -8.764 8.374 4.188) 12.825 13.162 ( -1.984 11.579 -6.803) 13.575 17.636 ( 2.006 3.446 -0.397) 4.007 18.134 ( -1.870 19.066 1.850) 19.247 18.509 ( 1.971 -2.871 1.356) 3.737 18.747 ( -3.327 1.049 0.870) 3.596 20.600 ( 2.130 -18.397 -1.413) 18.574 21.015 ( -0.340 0.607 -1.843) 1.970 ======================= Grid point 262 (134/172) ======================= q-point: ( 0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 0.661 8.574 1.703) 8.766 1.996 ( -4.432 8.819 9.979) 14.036 2.533 ( 8.980 15.012 -4.421) 18.043 2.613 ( -0.882 -9.392 13.692) 16.627 2.823 ( 3.779 -4.123 -2.648) 6.188 3.376 ( -6.354 0.358 -7.483) 9.823 3.948 ( -10.794 -14.998 6.753) 19.673 4.199 ( 5.465 -15.201 4.629) 16.803 4.399 ( 1.910 -19.781 -9.967) 22.233 4.536 ( 4.067 -7.060 5.350) 9.747 4.687 ( -0.498 -5.302 -2.726) 5.983 5.209 ( -1.121 7.756 4.555) 9.064 5.741 ( 2.966 -6.348 1.722) 7.215 6.175 ( -3.200 4.929 -2.086) 6.236 7.196 ( 0.169 5.010 -3.626) 6.187 8.095 ( -3.592 2.337 1.331) 4.487 8.222 ( 2.875 3.767 4.533) 6.558 9.634 ( -0.155 -7.402 2.395) 7.782 10.883 ( 1.304 -7.625 1.888) 7.963 11.472 ( -1.217 -5.811 -0.023) 5.937 11.896 ( -4.227 4.217 2.757) 6.577 12.074 ( 4.540 -0.350 -4.627) 6.491 12.732 ( -0.968 7.149 4.559) 8.534 13.232 ( 0.655 11.561 -4.758) 12.519 17.696 ( 0.478 3.499 -0.431) 3.558 18.237 ( -2.797 16.279 -4.990) 17.255 18.521 ( -0.852 -1.645 1.977) 2.710 18.796 ( 3.255 5.674 3.543) 7.439 20.425 ( 0.689 -21.758 0.745) 21.782 21.003 ( -0.499 0.809 -1.348) 1.650 ======================= Grid point 263 (135/172) ======================= q-point: ( 0.60 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -0.053 -0.655 2.418) 2.506 2.101 ( -6.640 15.101 4.838) 17.191 2.606 ( -1.581 -6.606 11.233) 13.128 2.702 ( 10.068 0.614 -17.116) 19.867 2.955 ( 5.098 7.452 2.140) 9.279 3.103 ( -8.244 -11.183 1.328) 13.956 3.735 ( -8.309 -7.202 11.707) 16.061 4.109 ( 1.338 -14.633 -4.606) 15.399 4.170 ( -1.461 -10.061 -13.166) 16.634 4.572 ( 0.656 -6.151 0.895) 6.250 4.603 ( -1.808 -6.280 10.565) 12.423 5.316 ( 1.424 6.219 0.357) 6.390 5.775 ( 6.134 -6.446 4.730) 10.077 6.148 ( -3.502 4.953 -4.143) 7.346 7.218 ( 0.478 3.130 -2.924) 4.310 8.080 ( -2.526 2.585 2.308) 4.289 8.309 ( 2.519 0.324 2.096) 3.293 9.562 ( -2.101 -6.542 1.449) 7.023 10.839 ( -0.103 -4.654 -0.099) 4.656 11.383 ( -3.278 -4.103 -0.305) 5.261 11.866 ( -5.040 2.787 2.853) 6.428 12.093 ( 1.712 -0.190 -4.228) 4.566 12.879 ( 7.515 4.574 3.775) 9.573 13.303 ( -0.926 8.913 -3.625) 9.666 17.692 ( -3.859 2.042 -0.219) 4.372 18.308 ( -2.400 11.251 -1.674) 11.625 18.523 ( 5.372 -2.573 -2.373) 6.412 18.925 ( 0.397 7.577 1.406) 7.717 20.243 ( 0.050 -17.942 2.434) 18.106 21.001 ( -0.002 1.329 -0.524) 1.428 ======================= Grid point 264 (136/172) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -2.549 -5.104 4.007) 6.971 2.115 ( -4.747 5.407 0.669) 7.226 2.452 ( -10.596 -6.555 -5.563) 13.645 2.715 ( 2.729 2.142 -9.409) 10.028 2.911 ( 0.634 -6.648 6.234) 9.136 3.212 ( 3.748 -3.112 8.885) 10.133 3.653 ( 1.158 -7.833 3.644) 8.716 3.942 ( -7.595 -1.716 -4.636) 9.062 4.073 ( 6.343 1.156 -7.399) 9.814 4.487 ( -7.058 0.546 4.316) 8.291 4.636 ( 5.237 -6.668 4.112) 9.423 5.353 ( -1.149 2.375 -1.569) 3.069 5.857 ( 4.885 -6.866 5.325) 9.968 6.097 ( -2.992 4.374 -5.367) 7.542 7.222 ( -0.416 0.958 -1.576) 1.891 8.097 ( -1.178 2.847 3.578) 4.721 8.339 ( 1.576 -2.674 -0.634) 3.168 9.468 ( -3.145 -4.770 0.488) 5.735 10.798 ( -0.077 -2.111 -1.104) 2.383 11.292 ( -3.358 -2.963 0.065) 4.479 11.831 ( -3.843 0.786 2.876) 4.864 12.077 ( 0.390 -0.522 -3.027) 3.097 13.088 ( 10.836 1.212 2.166) 11.116 13.315 ( -4.076 7.091 -2.380) 8.518 17.615 ( -5.642 -0.804 -0.012) 5.699 18.340 ( -4.113 6.465 3.330) 8.354 18.610 ( 10.598 -4.318 -5.366) 12.640 18.938 ( -3.469 1.079 -1.626) 3.981 20.159 ( 1.157 -4.135 2.688) 5.066 21.020 ( 0.592 1.653 0.246) 1.773 ======================= Grid point 265 (137/172) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 4.901 -9.655 3.762) 11.463 2.046 ( -5.813 -4.792 -1.369) 7.657 2.236 ( -5.635 -2.087 1.883) 6.297 2.650 ( -4.819 -0.993 -9.461) 10.664 2.895 ( -0.947 1.721 -1.769) 2.643 3.212 ( 1.756 -14.234 10.491) 17.769 3.672 ( 0.200 2.994 -0.686) 3.078 3.872 ( 2.275 1.688 -1.232) 3.089 4.158 ( 3.661 0.753 -2.960) 4.768 4.456 ( -1.240 3.750 2.118) 4.482 4.735 ( 4.179 8.672 1.791) 9.792 5.311 ( -2.041 -1.441 -3.328) 4.161 5.811 ( -7.749 -1.365 0.775) 7.906 6.101 ( 4.793 -3.552 0.176) 5.968 7.210 ( -0.308 -0.406 -0.145) 0.530 8.125 ( -2.361 1.293 3.965) 4.792 8.303 ( 0.239 -3.721 -3.148) 4.880 9.387 ( -2.347 -2.471 0.170) 3.413 10.790 ( 1.523 -0.455 -0.757) 1.761 11.218 ( -2.414 -3.063 0.665) 3.956 11.783 ( -3.613 -1.061 1.205) 3.954 12.070 ( 1.685 -1.081 -0.970) 2.225 13.210 ( -0.267 -2.535 0.736) 2.653 13.334 ( 3.016 7.276 -1.009) 7.941 17.502 ( -4.826 -4.084 0.182) 6.324 18.344 ( -2.913 -0.709 4.560) 5.458 18.651 ( 3.364 -4.883 -5.483) 8.076 18.876 ( 0.054 -2.931 0.386) 2.957 20.235 ( 3.078 9.364 -0.042) 9.857 21.049 ( 0.540 1.437 0.345) 1.573 ======================= Grid point 271 (138/172) ======================= q-point: ( 0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 12.011 1.246 8.964) 15.039 2.007 ( 5.587 -2.815 -0.292) 6.263 2.235 ( -12.055 -3.357 -2.998) 12.868 2.519 ( -1.011 -10.726 11.698) 15.903 3.020 ( 10.236 5.326 7.139) 13.569 3.281 ( -11.881 11.438 -4.800) 17.177 3.561 ( -0.471 3.836 10.558) 11.243 4.159 ( 11.784 -11.606 -4.867) 17.241 4.317 ( 10.429 -19.440 -13.015) 25.614 4.654 ( -0.678 -0.723 -2.608) 2.790 4.839 ( -4.139 1.708 2.788) 5.275 5.284 ( 0.194 -3.226 0.660) 3.299 5.920 ( -8.035 -3.296 6.168) 10.653 6.034 ( 11.671 1.745 -9.145) 14.929 7.124 ( 0.366 3.072 0.113) 3.095 7.967 ( 2.629 5.961 6.238) 9.020 8.363 ( -4.861 -1.225 1.260) 5.169 9.559 ( 4.795 -5.123 1.764) 7.235 10.781 ( 2.357 -2.914 2.191) 4.341 11.324 ( 5.951 -3.134 2.415) 7.146 11.846 ( 0.659 5.001 6.148) 7.952 11.985 ( -0.573 -3.140 -2.365) 3.973 12.981 ( -4.363 6.307 1.822) 7.883 13.305 ( -6.370 3.502 -6.111) 9.496 17.632 ( -1.808 -2.910 2.364) 4.163 17.952 ( 10.270 12.615 11.721) 20.050 18.592 ( -5.496 -1.366 -3.781) 6.809 18.887 ( -2.642 -0.736 2.526) 3.729 20.528 ( 1.152 -8.243 -9.098) 12.331 21.029 ( -0.721 1.324 -1.556) 2.167 ======================= Grid point 272 (139/172) ======================= q-point: ( 0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -12.909 11.552 3.108) 17.600 2.060 ( 2.737 -1.172 3.363) 4.491 2.076 ( 10.071 -4.621 -0.388) 11.088 2.550 ( 4.366 -8.578 10.973) 14.596 3.077 ( -10.592 4.370 -6.006) 12.936 3.321 ( 6.154 6.791 3.927) 9.971 3.719 ( 5.943 -1.408 12.428) 13.848 4.168 ( 7.412 -21.290 -11.819) 25.453 4.224 ( 13.168 -9.655 -5.223) 17.143 4.569 ( -4.112 -6.190 -4.077) 8.476 4.725 ( -8.323 -6.448 5.566) 11.909 5.279 ( 0.093 1.866 -0.569) 1.953 5.798 ( -6.796 -3.930 5.798) 9.760 6.169 ( 6.073 4.802 -5.896) 9.731 7.177 ( 1.390 3.738 -0.397) 4.008 8.104 ( 2.178 5.062 2.355) 5.993 8.272 ( -4.867 -0.532 2.629) 5.557 9.578 ( 3.245 -6.723 1.276) 7.574 10.809 ( 2.601 -4.201 2.506) 5.540 11.389 ( 4.976 -4.483 0.301) 6.704 11.942 ( 1.466 -2.910 -0.240) 3.267 11.945 ( 0.674 5.171 1.544) 5.439 12.970 ( -8.604 7.392 3.862) 11.983 13.230 ( -1.452 6.183 -6.113) 8.815 17.624 ( 1.506 0.143 0.259) 1.534 18.315 ( 4.083 16.211 3.965) 17.181 18.488 ( -0.060 -0.012 1.177) 1.178 18.827 ( -4.974 -0.607 1.377) 5.197 20.384 ( 0.863 -15.113 -4.284) 15.732 21.019 ( -0.587 1.123 -1.540) 1.995 ======================= Grid point 273 (140/172) ======================= q-point: ( 0.50 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -10.139 9.809 -1.783) 14.219 2.157 ( 6.756 0.897 2.138) 7.142 2.313 ( 10.023 5.470 3.276) 11.879 2.608 ( 4.051 -8.845 9.054) 13.289 2.912 ( -8.406 2.922 -0.132) 8.900 3.380 ( -2.545 -1.295 -8.159) 8.644 3.847 ( 6.938 -10.855 8.658) 15.522 3.992 ( 1.813 -12.790 -9.585) 16.086 4.313 ( -7.108 -7.341 -4.859) 11.315 4.398 ( 9.306 -6.810 8.287) 14.201 4.615 ( -1.415 -8.502 4.906) 9.917 5.311 ( 0.203 4.879 -0.397) 4.900 5.705 ( -3.467 -4.688 3.610) 6.858 6.230 ( 0.169 4.108 -3.372) 5.318 7.212 ( -0.045 3.084 -2.545) 3.998 8.119 ( -0.837 0.752 -3.978) 4.135 8.288 ( -0.329 1.981 6.943) 7.227 9.564 ( 1.958 -6.851 1.094) 7.209 10.814 ( 1.181 -4.081 1.385) 4.468 11.404 ( 2.466 -4.568 -1.436) 5.386 11.948 ( 4.702 -2.032 -3.886) 6.429 12.005 ( -1.742 4.381 1.936) 5.097 12.903 ( -8.169 4.398 4.307) 10.229 13.284 ( 1.827 9.139 -3.835) 10.078 17.682 ( 4.053 1.781 -0.669) 4.477 18.293 ( -3.545 2.875 -10.664) 11.600 18.685 ( -5.698 11.001 5.113) 13.403 18.798 ( 5.737 3.761 4.665) 8.296 20.220 ( 0.536 -18.645 1.971) 18.757 21.011 ( -0.470 1.096 -1.007) 1.561 ======================= Grid point 274 (141/172) ======================= q-point: (-0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -5.408 8.398 -0.302) 9.993 2.289 ( 14.743 -6.071 -13.440) 20.853 2.397 ( -8.487 5.115 2.334) 10.181 2.654 ( 1.449 -6.814 10.609) 12.691 2.971 ( 7.940 3.776 8.733) 12.392 3.134 ( -11.657 -3.542 -11.477) 16.738 3.853 ( 1.583 -15.030 6.231) 16.347 3.879 ( -0.521 -2.667 -3.649) 4.550 4.107 ( -5.739 -1.876 -1.931) 6.339 4.508 ( -0.595 -10.901 9.668) 14.583 4.598 ( 5.878 -2.211 1.976) 6.584 5.365 ( 0.260 4.713 0.219) 4.725 5.653 ( 2.170 -7.344 2.030) 7.922 6.219 ( -2.635 3.362 -3.081) 5.266 7.213 ( 0.117 2.635 -3.699) 4.543 8.095 ( 0.790 0.352 -3.623) 3.725 8.332 ( -0.878 -0.421 5.256) 5.345 9.526 ( 0.199 -5.947 0.567) 5.977 10.796 ( 0.226 -2.831 0.003) 2.840 11.368 ( -0.332 -3.469 -2.185) 4.113 11.984 ( 1.969 -1.970 -1.582) 3.204 12.003 ( -1.348 4.013 -2.108) 4.729 12.884 ( -0.966 1.805 4.345) 4.804 13.370 ( 0.561 8.201 -2.297) 8.535 17.752 ( 0.817 2.681 -0.315) 2.821 18.209 ( 3.535 -0.990 -13.257) 13.756 18.629 ( -7.678 4.844 1.913) 9.277 18.983 ( 1.932 6.364 0.688) 6.686 20.112 ( 1.505 -13.348 9.290) 16.332 21.014 ( -0.133 1.503 -0.178) 1.519 ======================= Grid point 275 (142/172) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -7.505 0.420 -1.422) 7.650 2.179 ( -2.709 -9.673 -9.118) 13.566 2.430 ( 10.634 1.764 -11.769) 15.959 2.634 ( -10.238 1.490 1.791) 10.500 2.914 ( -0.255 -7.939 6.968) 10.566 3.193 ( 3.216 1.076 6.427) 7.267 3.654 ( -10.097 -15.410 6.168) 19.429 3.944 ( 8.325 7.235 -5.616) 12.377 4.054 ( -3.883 8.804 -2.004) 9.829 4.475 ( 4.317 -9.282 7.097) 12.456 4.646 ( -2.638 -0.724 5.546) 6.184 5.392 ( -1.461 2.638 -0.490) 3.055 5.669 ( 8.152 -10.956 2.161) 13.825 6.173 ( -3.777 4.098 -4.796) 7.353 7.218 ( 0.256 2.266 -2.930) 3.713 8.105 ( 2.720 0.297 -2.291) 3.569 8.322 ( -1.827 -3.304 2.978) 4.808 9.467 ( -1.475 -4.264 -0.238) 4.518 10.772 ( -0.171 -1.476 -0.578) 1.594 11.303 ( -1.940 -2.476 -2.405) 3.960 11.931 ( -4.616 -0.368 0.463) 4.653 12.026 ( 1.974 1.090 -3.767) 4.391 12.962 ( 6.150 -1.055 3.321) 7.068 13.419 ( -1.777 6.703 -1.085) 7.019 17.719 ( -6.552 1.522 -1.406) 6.872 18.216 ( 11.210 -5.609 -12.709) 17.850 18.583 ( -4.897 4.841 2.295) 7.258 18.967 ( -2.987 -3.450 -3.007) 5.465 20.163 ( 2.278 0.430 11.890) 12.114 21.034 ( 0.308 1.899 0.567) 2.006 ======================= Grid point 276 (143/172) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -5.540 -7.141 -2.035) 9.264 2.050 ( 0.543 -4.352 -3.558) 5.647 2.420 ( -13.022 -0.730 -0.345) 13.047 2.517 ( 3.873 4.913 -13.380) 14.771 2.953 ( 1.631 -5.309 6.645) 8.660 3.127 ( -5.933 -12.393 4.470) 14.449 3.494 ( 7.137 -10.520 0.410) 12.719 4.083 ( -7.485 16.170 -2.061) 17.938 4.112 ( 3.644 7.251 -0.500) 8.130 4.575 ( -3.050 2.642 3.798) 5.541 4.661 ( 10.399 0.101 9.012) 13.761 5.348 ( -3.945 -1.021 -2.517) 4.790 5.723 ( 8.817 -11.787 3.287) 15.083 6.103 ( -5.113 4.985 -6.648) 9.757 7.217 ( -0.769 1.541 -1.147) 2.069 8.159 ( 3.941 0.661 -0.132) 3.998 8.246 ( -3.019 -6.169 -0.042) 6.868 9.401 ( -1.981 -2.149 -0.830) 3.039 10.763 ( 0.572 -0.383 0.248) 0.732 11.227 ( -2.342 -2.454 -2.418) 4.166 11.841 ( -4.293 -2.375 -1.097) 5.028 12.039 ( 0.689 1.137 -0.964) 1.642 13.084 ( 8.222 -4.283 2.078) 9.501 13.434 ( -3.166 6.743 -0.302) 7.455 17.570 ( -7.996 -2.085 -3.344) 8.914 18.234 ( 7.571 -10.971 -7.026) 15.069 18.603 ( -0.159 4.982 1.641) 5.248 18.853 ( -1.838 -5.206 -1.730) 5.785 20.321 ( 1.469 9.687 7.770) 12.505 21.062 ( 0.242 1.736 0.776) 1.917 ======================= Grid point 281 (144/172) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 3.557 -5.215 7.897) 10.110 1.895 ( 11.229 1.855 10.274) 15.332 2.295 ( -0.132 0.169 2.708) 2.717 2.594 ( -9.248 -9.324 4.295) 13.817 2.971 ( 4.843 4.358 2.345) 6.925 3.378 ( 2.868 -5.336 -7.636) 9.747 3.794 ( 1.188 6.912 2.462) 7.433 3.827 ( 1.842 -11.721 -4.994) 12.874 4.045 ( -6.156 -0.785 -0.988) 6.284 4.644 ( -0.414 1.633 -7.754) 7.935 4.761 ( 6.428 -1.607 -6.186) 9.064 5.351 ( -3.880 -0.922 3.697) 5.438 5.752 ( 15.540 0.969 -5.931) 16.662 6.054 ( -6.403 -2.995 6.295) 9.466 7.169 ( -2.169 2.396 1.325) 3.494 8.017 ( 2.824 4.999 5.493) 7.946 8.374 ( 0.566 -4.300 -1.273) 4.520 9.451 ( 3.958 -3.608 1.220) 5.493 10.765 ( -0.793 -0.328 0.076) 0.861 11.238 ( 3.765 -2.411 3.582) 5.729 11.882 ( 3.243 -0.448 4.832) 5.837 11.991 ( -3.818 0.293 -0.507) 3.862 13.030 ( 3.371 3.315 -2.164) 5.200 13.419 ( -7.228 2.024 -1.737) 7.704 17.645 ( -1.955 -6.802 6.253) 9.444 17.965 ( 11.247 11.395 9.390) 18.561 18.641 ( -4.930 -1.505 -3.039) 5.984 18.896 ( 1.913 -3.884 3.601) 5.632 20.426 ( -3.825 -0.888 -12.310) 12.922 21.051 ( -1.336 1.376 -0.984) 2.155 ======================= Grid point 282 (145/172) ======================= q-point: ( 0.40 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 13.434 -6.428 -2.924) 15.177 2.082 ( 1.197 -2.854 6.706) 7.386 2.258 ( -10.883 5.150 6.202) 13.544 2.485 ( 3.769 -5.578 9.354) 11.524 3.071 ( 2.619 -3.047 -5.037) 6.443 3.364 ( 2.973 0.317 -2.254) 3.744 3.753 ( 6.398 -10.662 -4.693) 13.291 3.884 ( -2.653 3.917 1.932) 5.109 3.946 ( 2.783 -0.182 0.311) 2.806 4.559 ( -4.316 -4.365 -3.597) 7.115 4.753 ( 0.309 -2.731 -5.286) 5.958 5.308 ( -2.402 -0.240 2.388) 3.395 5.906 ( -2.926 -4.614 2.759) 6.121 6.032 ( 8.472 4.559 -1.567) 9.748 7.189 ( 0.519 1.791 1.311) 2.279 8.135 ( 1.259 4.427 1.193) 4.754 8.315 ( -1.050 -3.686 0.680) 3.893 9.470 ( 2.970 -5.224 0.338) 6.019 10.772 ( 1.113 -0.664 1.317) 1.848 11.284 ( 3.414 -3.481 0.887) 4.956 11.881 ( -0.235 -4.347 -1.374) 4.565 12.004 ( 0.609 3.324 3.313) 4.732 13.132 ( 2.510 8.558 -0.661) 8.943 13.289 ( -7.898 0.172 -1.252) 7.998 17.596 ( 0.027 -4.386 1.608) 4.671 18.345 ( 11.155 9.065 6.698) 15.858 18.526 ( -3.698 1.427 -1.538) 4.252 18.891 ( -1.457 -2.418 2.768) 3.954 20.265 ( -3.765 -4.825 -6.959) 9.267 21.036 ( -1.119 1.268 -1.082) 2.007 ======================= Grid point 283 (146/172) ======================= q-point: (-0.50 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 12.575 -2.395 -12.126) 17.633 2.020 ( -7.355 4.821 -1.083) 8.860 2.298 ( 7.910 -3.305 11.865) 14.638 2.587 ( -0.521 -0.597 8.755) 8.791 2.944 ( -1.807 -10.477 -3.089) 11.072 3.374 ( -1.500 0.069 -4.357) 4.608 3.715 ( 1.272 -8.270 -0.601) 8.389 3.893 ( 3.169 2.624 -2.906) 5.037 4.130 ( 10.269 3.069 4.938) 11.800 4.414 ( -4.688 -3.166 -1.194) 5.782 4.643 ( -6.092 -6.924 3.037) 9.710 5.311 ( 1.327 0.807 0.770) 1.733 5.777 ( -6.954 -6.322 2.977) 9.858 6.194 ( 5.796 4.412 -3.866) 8.246 7.217 ( 0.447 1.047 -0.832) 1.410 8.118 ( -2.339 0.286 -4.853) 5.395 8.330 ( 1.320 -0.939 5.206) 5.452 9.464 ( 2.699 -5.536 -0.116) 6.160 10.790 ( 0.415 -0.585 1.219) 1.414 11.302 ( 3.263 -3.574 -1.680) 5.122 11.840 ( 2.045 -3.290 -2.865) 4.818 12.063 ( 0.458 2.808 1.725) 3.327 13.117 ( -10.484 1.020 2.976) 10.945 13.288 ( 4.387 7.433 -2.443) 8.970 17.598 ( 4.157 -2.710 -1.036) 5.070 18.325 ( -6.222 1.051 -9.252) 11.199 18.739 ( 8.974 1.542 6.401) 11.130 18.867 ( -1.943 5.385 1.992) 6.062 20.129 ( -3.311 -6.296 2.142) 7.429 21.026 ( -0.675 1.284 -0.655) 1.592 ======================= Grid point 284 (147/172) ======================= q-point: (-0.40 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 9.018 0.831 -18.871) 20.931 1.947 ( -6.958 4.675 -0.979) 8.440 2.455 ( -1.816 -11.144 -4.965) 12.335 2.563 ( 8.407 -7.278 10.391) 15.219 2.956 ( 5.934 3.572 11.672) 13.573 3.243 ( -8.463 0.441 -7.802) 11.519 3.653 ( 3.052 -11.460 1.265) 11.927 3.953 ( -1.630 8.414 -0.246) 8.574 4.238 ( -7.239 0.954 1.113) 7.386 4.415 ( 8.405 -3.820 6.015) 11.019 4.534 ( -1.386 -4.503 4.733) 6.678 5.380 ( 3.066 3.638 1.894) 5.121 5.604 ( -5.092 -10.751 -0.094) 11.897 6.244 ( 0.084 2.065 -3.578) 4.132 7.215 ( -0.214 2.063 -2.735) 3.432 8.057 ( -0.493 -0.105 -5.160) 5.185 8.361 ( 0.070 -3.027 4.549) 5.465 9.452 ( 2.070 -4.899 -0.603) 5.352 10.790 ( -0.761 0.134 0.683) 1.031 11.300 ( 2.270 -2.802 -3.569) 5.074 11.847 ( 4.849 -2.931 -3.754) 6.797 12.089 ( -1.683 3.225 -0.011) 3.638 12.986 ( -6.933 -1.761 3.804) 8.101 13.405 ( 2.431 7.085 -1.082) 7.568 17.666 ( 7.935 -1.606 -2.643) 8.517 18.148 ( -6.802 0.530 -12.153) 13.937 18.754 ( -2.975 -1.488 1.617) 3.698 18.982 ( 2.826 2.024 -1.791) 3.911 20.107 ( -0.384 -1.092 12.650) 12.703 21.031 ( -0.154 1.573 0.094) 1.584 ======================= Grid point 285 (148/172) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -3.008 -8.407 -4.883) 10.177 1.894 ( -0.198 1.705 -20.183) 20.256 2.286 ( 4.493 -4.587 -4.027) 7.580 2.676 ( 3.155 -5.867 8.424) 10.739 3.042 ( -10.595 3.201 -3.457) 11.596 3.203 ( 2.396 -0.662 9.831) 10.140 3.651 ( 5.402 -7.551 1.253) 9.369 3.913 ( -6.660 1.820 2.850) 7.469 4.203 ( -1.899 12.602 -2.545) 12.996 4.422 ( -0.347 -9.920 9.064) 13.442 4.652 ( 5.631 5.368 2.027) 8.039 5.398 ( -1.564 -12.420 -3.229) 12.928 5.510 ( 2.952 1.531 5.184) 6.159 6.212 ( -1.646 0.997 -4.010) 4.448 7.226 ( 0.190 3.986 -2.335) 4.624 8.027 ( 1.968 -0.786 -5.214) 5.628 8.335 ( -1.494 -5.819 3.492) 6.948 9.428 ( 0.743 -3.588 -1.323) 3.895 10.782 ( -1.340 0.929 0.814) 1.823 11.269 ( 0.401 -2.099 -4.795) 5.250 11.871 ( 4.330 -3.715 -4.390) 7.199 12.075 ( -3.242 3.912 -0.587) 5.114 12.921 ( -0.783 -3.884 3.974) 5.612 13.484 ( 0.384 5.433 0.146) 5.448 17.776 ( 6.546 -0.376 -0.881) 6.616 17.941 ( -3.633 -2.843 -16.627) 17.255 18.706 ( -3.624 1.299 1.284) 4.058 18.931 ( -1.930 -6.938 -3.427) 7.976 20.258 ( 2.065 6.206 15.614) 16.928 21.052 ( 0.282 1.857 0.689) 2.001 ======================= Grid point 286 (149/172) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -10.415 -7.613 -3.727) 13.428 1.833 ( 11.214 -7.273 -10.476) 16.982 2.405 ( 3.649 9.282 -6.262) 11.776 2.651 ( -4.351 0.398 -4.516) 6.283 2.942 ( -4.957 -2.393 10.037) 11.447 3.145 ( -1.663 -8.445 0.248) 8.610 3.431 ( -14.744 -13.681 4.593) 20.631 4.083 ( 5.095 9.296 -4.661) 11.580 4.267 ( 5.834 7.907 -2.121) 10.052 4.524 ( 6.679 3.384 12.692) 14.736 4.740 ( -3.442 5.095 1.898) 6.435 5.240 ( 4.120 -17.746 -5.218) 18.950 5.612 ( 0.267 3.874 7.965) 8.861 6.168 ( -2.042 3.488 -5.885) 7.139 7.252 ( -0.834 4.277 -1.017) 4.475 8.041 ( 5.388 -1.576 -4.864) 7.428 8.252 ( -2.932 -8.095 2.795) 9.052 9.393 ( -0.433 -1.788 -1.966) 2.693 10.780 ( -1.207 1.357 2.092) 2.770 11.207 ( -1.060 -2.033 -5.498) 5.958 11.830 ( -0.600 -4.999 -3.844) 6.334 12.071 ( -1.475 4.204 -0.220) 4.461 12.936 ( 4.986 -5.991 2.701) 8.249 13.529 ( -1.264 4.750 1.249) 5.071 17.662 ( -9.799 -2.116 -9.177) 13.591 17.925 ( 11.577 -5.884 -6.305) 14.437 18.682 ( -2.458 2.497 1.662) 3.878 18.805 ( -1.352 -7.320 -1.877) 7.677 20.464 ( 1.071 9.476 11.664) 15.067 21.080 ( 0.321 1.693 0.806) 1.903 ======================= Grid point 342 (150/172) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 0.000 -0.000 5.794) 5.794 1.140 ( 0.000 -0.000 5.794) 5.794 2.366 ( -0.000 0.000 -4.400) 4.400 2.889 ( 0.000 -0.000 9.999) 9.999 2.889 ( 0.000 -0.000 9.999) 9.999 3.441 ( 0.000 -0.000 38.570) 38.570 3.647 ( -0.000 0.000 -15.774) 15.774 4.696 ( -0.000 0.000 -2.850) 2.850 4.696 ( -0.000 0.000 -2.850) 2.850 4.965 ( 0.000 -0.000 3.781) 3.781 4.965 ( 0.000 0.000 3.781) 3.781 5.828 ( 0.000 -0.000 0.034) 0.034 5.828 ( 0.000 0.000 0.034) 0.034 6.098 ( -0.000 0.000 -15.482) 15.482 7.055 ( -0.000 0.000 -9.142) 9.142 7.837 ( 0.000 -0.000 6.392) 6.392 7.837 ( 0.000 -0.000 6.392) 6.392 9.846 ( 0.000 -0.000 5.803) 5.803 11.612 ( 0.000 -0.000 4.651) 4.651 11.612 ( 0.000 -0.000 4.651) 4.651 11.792 ( 0.000 -0.000 12.577) 12.577 12.140 ( -0.000 0.000 -4.297) 4.297 12.140 ( -0.000 0.000 -4.297) 4.297 12.559 ( -0.000 0.000 -5.310) 5.310 17.572 ( -0.000 0.000 -1.290) 1.290 17.572 ( -0.000 0.000 -1.290) 1.290 18.630 ( 0.000 -0.000 0.740) 0.740 18.630 ( 0.000 -0.000 0.740) 0.740 20.953 ( -0.000 0.000 -0.189) 0.189 21.180 ( 0.000 -0.000 1.476) 1.476 ======================= Grid point 343 (151/172) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 9.575 15.535 5.478) 19.053 1.448 ( 17.245 2.952 0.484) 17.502 2.280 ( -4.209 -3.875 -2.655) 6.307 2.827 ( -3.550 -8.522 14.283) 17.007 2.997 ( -4.350 4.771 13.256) 14.745 3.385 ( -7.542 -3.355 -15.492) 17.554 3.913 ( 11.057 5.872 31.012) 33.444 4.517 ( -19.565 -13.026 0.439) 23.509 4.635 ( -5.590 -3.545 -1.332) 6.752 4.752 ( 0.913 2.068 -2.889) 3.668 5.189 ( 2.903 0.584 0.564) 3.015 5.700 ( -2.485 -1.918 2.307) 3.895 5.807 ( -9.071 -2.331 -3.309) 9.933 6.069 ( 7.449 2.419 -13.537) 15.640 7.013 ( 1.721 0.886 -7.256) 7.510 7.830 ( -0.562 -2.102 6.659) 7.005 8.006 ( 6.854 5.653 4.869) 10.131 9.847 ( -3.245 -1.862 4.910) 6.173 11.396 ( -17.698 -8.625 5.919) 20.558 11.642 ( 0.951 -0.767 5.259) 5.399 11.739 ( -7.822 -6.890 5.496) 11.784 12.095 ( -1.848 1.894 -4.020) 4.813 12.327 ( 13.586 6.307 1.819) 15.089 12.735 ( 15.041 9.156 -7.760) 19.243 17.559 ( -0.482 2.756 -0.711) 2.887 17.651 ( 6.989 0.677 -0.322) 7.029 18.596 ( -2.336 -0.506 0.771) 2.512 18.684 ( 3.358 1.605 0.338) 3.737 20.948 ( -0.631 -0.336 0.138) 0.728 21.119 ( -5.626 -3.237 -0.013) 6.491 ======================= Grid point 344 (152/172) ======================= q-point: ( 0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 7.755 17.382 -0.417) 19.038 1.767 ( 21.629 2.735 0.756) 21.815 2.164 ( -3.115 -4.029 1.730) 5.378 2.828 ( -0.557 -6.743 16.792) 18.103 3.012 ( -7.106 4.728 -0.669) 8.561 3.162 ( -6.156 -1.692 -3.221) 7.151 3.907 ( -20.919 -14.929 10.056) 27.597 4.474 ( 11.131 3.465 19.173) 22.439 4.532 ( -3.673 -0.148 -3.351) 4.974 4.676 ( -4.783 -4.696 -6.503) 9.339 5.031 ( -13.732 -4.739 -4.944) 15.344 5.556 ( -7.838 -5.979 -6.925) 12.048 5.806 ( 4.579 3.705 6.337) 8.652 6.075 ( 1.703 0.699 -11.968) 12.109 7.030 ( 2.919 1.617 -3.081) 4.542 7.866 ( 1.417 -2.292 6.933) 7.439 8.211 ( 6.867 6.253 2.945) 9.743 9.778 ( -5.515 -3.241 3.311) 7.203 11.085 ( -14.145 -6.829 4.634) 16.377 11.557 ( -8.031 -6.615 2.869) 10.793 11.710 ( 2.841 -1.062 5.647) 6.410 12.059 ( -1.925 2.182 -3.054) 4.218 12.635 ( 12.762 6.398 3.668) 14.740 12.994 ( 12.250 7.740 -8.443) 16.771 17.596 ( 1.445 3.681 -0.034) 3.955 17.777 ( 6.013 -1.474 4.332) 7.556 18.576 ( -0.890 2.626 -0.581) 2.833 18.770 ( 4.662 1.995 0.065) 5.072 20.871 ( -8.917 -4.447 -0.596) 9.982 21.002 ( -1.075 -1.244 -2.520) 3.008 ======================= Grid point 345 (153/172) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -0.215 -6.334 1.826) 6.595 2.033 ( 0.819 -4.183 3.217) 5.340 2.270 ( 8.089 17.999 -0.441) 19.738 2.854 ( -8.647 0.889 11.891) 14.729 2.956 ( 4.068 -8.609 2.228) 9.779 3.048 ( -1.372 3.972 -6.429) 7.681 3.653 ( -6.185 -5.881 14.785) 17.071 4.307 ( -13.038 -6.631 -5.033) 15.469 4.469 ( -7.332 -4.228 -12.660) 15.228 4.717 ( -10.524 -5.888 -1.253) 12.124 4.809 ( 5.965 2.073 9.101) 11.077 5.348 ( -4.872 -1.876 -6.674) 8.473 5.897 ( 0.567 -5.174 -3.548) 6.300 6.036 ( 0.138 5.782 -0.387) 5.796 7.080 ( 2.195 1.369 0.779) 2.701 7.925 ( 2.249 -2.218 6.813) 7.510 8.370 ( 3.983 4.369 0.594) 5.942 9.658 ( -6.506 -4.031 1.639) 7.827 10.878 ( -7.803 -3.501 2.371) 8.875 11.402 ( -6.142 -4.763 2.630) 8.205 11.796 ( 3.816 -1.631 6.023) 7.315 12.030 ( -1.966 2.331 -1.961) 3.625 12.886 ( 7.866 4.943 0.934) 9.337 13.176 ( 9.145 5.262 -5.292) 11.803 17.668 ( 2.806 3.317 0.379) 4.361 17.863 ( 1.641 -5.341 10.999) 12.337 18.612 ( 0.679 6.696 -2.260) 7.099 18.872 ( 4.965 1.754 0.582) 5.298 20.614 ( -10.694 -5.938 -6.808) 13.998 20.996 ( 1.242 0.213 -1.231) 1.762 ======================= Grid point 346 (154/172) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 1.712 -2.201 8.752) 9.185 1.960 ( -5.600 -8.358 8.404) 13.109 2.407 ( -6.792 3.863 2.421) 8.180 2.802 ( -6.564 3.246 -0.446) 7.336 2.931 ( 0.585 2.798 6.281) 6.901 3.179 ( 14.049 -3.527 -9.108) 17.111 3.718 ( 2.814 1.203 8.144) 8.700 3.992 ( -9.929 -7.288 -4.201) 13.014 4.181 ( -12.639 4.135 -8.757) 15.922 4.599 ( -0.218 -2.553 -1.793) 3.127 4.740 ( -7.222 -8.991 -7.075) 13.530 5.357 ( 4.593 3.596 0.893) 5.901 5.720 ( -7.701 -8.158 -5.135) 12.338 6.136 ( 1.349 4.788 4.571) 6.755 7.142 ( 2.451 1.398 2.588) 3.829 7.987 ( 1.800 -1.900 6.168) 6.700 8.417 ( -1.001 1.210 -2.106) 2.627 9.524 ( -5.671 -3.819 0.850) 6.890 10.789 ( -2.322 -0.382 0.560) 2.419 11.305 ( -3.780 -2.930 3.591) 5.981 11.873 ( 2.522 -3.909 5.969) 7.567 12.020 ( -0.815 3.939 -1.037) 4.154 12.977 ( 0.728 1.770 -3.616) 4.091 13.345 ( 7.987 3.992 -0.519) 8.944 17.744 ( 3.293 0.519 0.345) 3.351 17.898 ( -1.991 -5.005 15.454) 16.366 18.672 ( -0.053 6.983 -2.068) 7.283 18.957 ( 1.411 0.661 2.667) 3.089 20.360 ( -4.495 -3.676 -12.985) 14.225 21.019 ( 1.743 0.679 -0.683) 1.991 ======================= Grid point 353 (155/172) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 5.227 3.402 7.868) 10.040 1.541 ( -3.173 24.029 -2.074) 24.326 2.253 ( -0.957 -8.299 1.537) 8.494 2.888 ( -2.411 -9.448 16.187) 18.897 3.106 ( 5.546 -0.400 4.993) 7.473 3.288 ( -2.174 -1.181 -16.446) 16.631 4.145 ( -0.391 7.614 34.822) 35.647 4.535 ( -2.664 -8.531 -6.018) 10.775 4.658 ( 2.330 1.922 -8.100) 8.645 4.823 ( 2.331 -9.852 9.377) 13.800 5.052 ( -2.407 -8.814 1.047) 9.196 5.603 ( -0.885 -16.931 -4.339) 17.501 5.873 ( 5.162 2.157 -10.931) 12.280 5.964 ( -4.026 6.988 -2.360) 8.403 6.978 ( -0.069 4.605 -6.239) 7.755 7.921 ( -3.249 3.017 6.175) 7.602 7.998 ( 3.157 5.169 3.408) 6.950 9.875 ( 0.021 -4.512 4.175) 6.147 11.411 ( 1.122 -19.879 5.497) 20.656 11.717 ( -1.171 2.108 4.901) 5.462 11.786 ( -2.236 -9.536 3.659) 10.455 12.090 ( 3.158 0.924 -4.992) 5.979 12.303 ( -1.483 13.054 3.316) 13.550 12.683 ( 0.437 17.136 -6.917) 18.485 17.578 ( 3.285 2.436 -0.543) 4.126 17.645 ( -3.624 9.107 -0.992) 9.852 18.633 ( 1.871 -1.633 0.277) 2.499 18.647 ( -1.436 1.588 0.972) 2.351 20.946 ( 0.051 -1.165 0.344) 1.216 21.114 ( -0.001 -8.137 0.026) 8.137 ======================= Grid point 354 (156/172) ======================= q-point: ( 0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 17.298 7.596 3.858) 19.282 1.726 ( 2.389 19.144 -2.822) 19.498 2.181 ( -1.207 -3.966 6.467) 7.681 2.887 ( -1.697 -8.144 16.753) 18.705 3.064 ( -3.977 -2.334 -18.202) 18.777 3.222 ( 0.184 1.760 4.806) 5.121 4.142 ( -16.962 -15.224 9.018) 24.512 4.541 ( 5.507 2.699 3.890) 7.262 4.601 ( -6.009 1.621 9.877) 11.674 4.690 ( -7.609 -6.285 2.659) 10.221 4.999 ( 1.071 -13.593 -5.628) 14.751 5.394 ( 3.671 -16.841 -9.546) 19.703 5.851 ( -1.828 3.350 1.634) 4.152 6.011 ( 2.245 4.237 -6.161) 7.807 7.012 ( 1.590 6.613 -3.331) 7.573 7.925 ( -2.945 2.323 5.807) 6.913 8.171 ( 6.718 5.898 1.781) 9.115 9.825 ( -2.848 -6.091 2.874) 7.312 11.204 ( -7.766 -15.082 3.713) 17.366 11.627 ( -6.419 -8.595 2.204) 10.951 11.740 ( -1.588 2.140 4.730) 5.429 12.084 ( -0.694 2.059 -4.284) 4.804 12.541 ( 10.145 9.863 4.528) 14.856 12.875 ( 7.289 14.628 -7.009) 17.783 17.617 ( 0.062 2.645 -1.335) 2.963 17.758 ( 3.473 10.831 2.183) 11.582 18.605 ( -0.572 0.146 -0.355) 0.689 18.714 ( 3.504 1.820 0.577) 3.990 20.907 ( -3.300 -9.335 1.434) 10.004 20.996 ( -2.332 -3.463 -2.460) 4.846 ======================= Grid point 355 (157/172) ======================= q-point: ( 0.60 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 0.655 5.388 -2.159) 5.841 1.919 ( 9.151 -6.241 6.465) 12.825 2.328 ( 5.984 17.727 1.537) 18.773 2.841 ( -2.599 -6.048 -4.269) 7.846 2.928 ( -0.800 -0.394 2.018) 2.206 3.212 ( -4.896 -0.386 1.510) 5.138 3.833 ( -11.558 -11.185 16.227) 22.847 4.401 ( -9.989 -13.195 -6.285) 17.702 4.462 ( -7.777 1.140 -3.348) 8.544 4.696 ( -3.130 -15.347 -5.284) 16.530 4.840 ( 1.023 -2.782 9.683) 10.127 5.277 ( 1.851 -3.830 -8.945) 9.905 5.880 ( -2.116 1.923 -0.220) 2.868 6.041 ( 3.463 2.211 -1.297) 4.308 7.091 ( 1.564 5.617 0.032) 5.831 7.955 ( -0.836 1.343 6.315) 6.510 8.328 ( 5.507 3.795 -0.579) 6.713 9.713 ( -4.862 -6.560 1.348) 8.276 10.974 ( -7.806 -7.910 1.306) 11.189 11.466 ( -5.768 -6.313 2.208) 8.831 11.786 ( 1.187 0.151 5.504) 5.633 12.061 ( -1.142 2.148 -3.158) 3.986 12.827 ( 9.206 8.745 2.470) 12.936 13.060 ( 6.985 8.641 -5.211) 12.272 17.639 ( 1.503 0.468 -0.189) 1.585 17.931 ( 1.141 8.563 7.235) 11.268 18.640 ( 2.948 5.242 -2.067) 6.359 18.791 ( 4.137 0.914 -0.493) 4.266 20.656 ( -9.616 -13.806 -3.275) 17.141 20.978 ( 0.666 0.606 -0.637) 1.103 ======================= Grid point 356 (158/172) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -0.411 2.501 6.518) 6.994 1.983 ( 1.333 -7.281 6.120) 9.604 2.515 ( 1.146 7.951 -5.817) 9.918 2.731 ( 0.798 -12.437 -2.726) 12.757 2.977 ( 1.865 6.842 -5.821) 9.174 3.152 ( -5.583 3.361 11.164) 12.926 3.771 ( -1.606 -2.494 10.818) 11.217 4.031 ( -11.104 -12.542 -7.433) 18.326 4.308 ( -6.829 0.657 -5.205) 8.611 4.493 ( 1.379 -13.221 -1.720) 13.404 4.768 ( -8.080 -5.061 -5.609) 11.061 5.299 ( 4.527 2.183 -0.666) 5.070 5.785 ( -7.739 0.640 -4.021) 8.745 6.149 ( 4.653 1.383 3.866) 6.205 7.159 ( 0.692 3.123 2.283) 3.930 8.007 ( 0.320 0.878 6.167) 6.237 8.401 ( 1.861 0.837 -3.093) 3.705 9.572 ( -5.170 -5.974 0.406) 7.911 10.831 ( -3.810 -2.498 -0.173) 4.559 11.354 ( -3.646 -4.487 2.919) 6.477 11.842 ( 1.640 -2.693 5.433) 6.281 12.051 ( -0.154 2.571 -1.872) 3.184 12.992 ( 0.585 8.216 -3.300) 8.874 13.231 ( 9.327 3.280 0.441) 9.897 17.664 ( 2.527 -3.721 1.375) 4.703 18.053 ( -2.289 6.081 11.247) 12.989 18.740 ( 0.106 8.757 -1.416) 8.872 18.876 ( 8.130 -1.071 -1.633) 8.361 20.333 ( -9.211 -10.177 -8.094) 15.935 21.000 ( 1.240 0.913 0.006) 1.540 ======================= Grid point 363 (159/172) ======================= q-point: ( 0.40 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -14.545 6.761 7.243) 17.599 1.828 ( -5.021 22.077 -4.040) 22.999 2.208 ( 0.746 -5.958 5.967) 8.465 2.915 ( 0.982 -8.866 0.544) 8.937 2.945 ( 2.508 -7.493 5.055) 9.380 3.257 ( 4.255 4.541 -0.736) 6.266 4.223 ( 17.966 -11.088 7.789) 22.503 4.536 ( -6.189 2.493 22.216) 23.196 4.557 ( 3.473 0.494 -9.221) 9.866 4.699 ( 4.751 -3.781 1.997) 6.392 4.956 ( 2.048 -19.078 -5.551) 19.975 5.458 ( -3.305 -15.579 -9.401) 18.494 5.778 ( -0.209 1.942 2.536) 3.201 6.050 ( -0.391 6.722 -6.442) 9.318 7.012 ( -1.525 6.469 -3.424) 7.477 7.993 ( 3.441 5.829 5.252) 8.567 8.111 ( -7.753 3.032 2.128) 8.592 9.825 ( 2.814 -5.989 2.830) 7.197 11.182 ( 7.982 -15.642 4.486) 18.125 11.664 ( 6.261 -8.088 1.177) 10.296 11.792 ( 0.342 4.772 4.953) 6.886 12.015 ( 1.359 -0.384 -3.846) 4.097 12.563 ( -10.002 10.354 4.099) 14.969 12.859 ( -7.066 14.149 -7.121) 17.345 17.574 ( 0.163 2.603 0.326) 2.629 17.827 ( -5.268 13.207 -0.049) 14.219 18.570 ( 2.873 -2.433 0.966) 3.887 18.720 ( -4.108 1.906 0.091) 4.530 20.894 ( 3.775 -10.177 1.296) 10.932 21.006 ( 1.887 -2.735 -2.309) 4.046 ======================= Grid point 364 (160/172) ======================= q-point: ( 0.50 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 5.000 11.405 7.836) 14.713 1.898 ( -5.973 14.621 -3.386) 16.153 2.241 ( 0.974 4.346 7.737) 8.927 2.852 ( 4.927 -7.389 -9.626) 13.097 2.947 ( 0.206 -9.466 11.840) 15.160 3.289 ( -3.181 3.353 -3.286) 5.671 4.278 ( -5.723 -13.365 3.346) 14.919 4.421 ( 0.185 -6.461 -6.582) 9.225 4.710 ( 7.172 -9.846 10.987) 16.404 4.747 ( -0.874 -12.694 0.516) 12.735 4.779 ( 1.300 -6.034 4.890) 7.875 5.193 ( -3.771 -7.157 -4.300) 9.162 5.826 ( 4.065 -1.429 -0.587) 4.349 6.050 ( -3.121 6.174 -3.256) 7.646 7.045 ( 0.026 7.721 -3.270) 8.385 8.051 ( -3.504 2.830 0.769) 4.569 8.150 ( 3.223 6.678 3.855) 8.357 9.800 ( -0.025 -7.583 2.199) 7.895 11.124 ( 0.826 -15.699 3.032) 16.011 11.617 ( -1.255 -9.196 0.220) 9.284 11.838 ( -2.744 3.536 2.619) 5.186 12.037 ( 3.353 0.705 -4.485) 5.644 12.598 ( -1.076 10.576 5.244) 11.854 12.925 ( 0.752 16.528 -5.372) 17.396 17.624 ( 1.104 3.362 -0.797) 3.627 17.890 ( -2.097 16.205 -1.204) 16.384 18.579 ( 0.251 -3.214 -0.322) 3.240 18.723 ( 0.774 4.121 1.932) 4.616 20.816 ( 0.603 -17.064 1.790) 17.168 20.983 ( -0.471 -0.298 -1.678) 1.768 ======================= Grid point 365 (161/172) ======================= q-point: ( 0.60 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 10.014 5.651 3.895) 12.140 1.880 ( -6.719 5.518 3.769) 9.476 2.413 ( 3.289 14.187 -3.316) 14.935 2.801 ( 1.386 -2.454 -4.470) 5.285 2.932 ( -1.236 -6.422 5.302) 8.419 3.209 ( -0.604 -2.762 -2.616) 3.852 4.027 ( -11.914 -12.094 13.957) 21.978 4.288 ( -0.277 -12.359 -14.044) 18.709 4.484 ( -0.780 -23.382 -5.373) 24.004 4.638 ( -9.802 -3.452 2.041) 10.591 4.849 ( 1.169 -7.563 12.367) 14.543 5.188 ( 2.671 5.299 -2.309) 6.367 5.900 ( 5.964 -2.561 3.999) 7.624 6.016 ( -3.730 5.033 -5.099) 8.077 7.112 ( 2.014 6.038 -2.027) 6.680 8.045 ( -1.977 2.734 2.644) 4.287 8.276 ( 3.611 4.177 0.200) 5.525 9.714 ( -2.648 -7.828 1.183) 8.348 10.983 ( -3.219 -10.596 0.423) 11.082 11.492 ( -3.711 -7.288 0.469) 8.192 11.840 ( -2.200 2.173 3.376) 4.578 12.051 ( 1.202 1.125 -4.649) 4.932 12.785 ( 7.368 8.327 4.345) 11.937 13.063 ( 1.795 12.989 -4.146) 13.752 17.643 ( -0.896 2.410 -1.248) 2.858 18.054 ( 2.621 14.541 1.674) 14.870 18.556 ( 3.147 -2.693 -2.712) 4.951 18.803 ( 0.482 5.851 1.333) 6.020 20.614 ( -4.940 -18.543 0.771) 19.205 20.976 ( 0.092 0.946 -0.365) 1.018 ======================= Grid point 366 (162/172) ======================= q-point: (-0.30 -0.50 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -0.054 -9.548 11.899) 15.256 1.905 ( 1.043 12.390 -0.958) 12.471 2.440 ( 0.463 2.650 -18.931) 19.121 2.693 ( -5.470 -7.414 0.700) 9.240 2.992 ( 3.355 6.280 -0.640) 7.149 3.256 ( 3.632 0.643 8.751) 9.496 3.869 ( -6.960 -9.067 13.128) 17.407 4.004 ( -6.530 -10.935 -12.502) 17.847 4.220 ( -0.120 -18.974 -3.508) 19.296 4.501 ( -7.743 0.397 2.234) 8.068 4.796 ( -4.249 -6.337 0.947) 7.688 5.269 ( 2.119 4.513 -1.047) 5.094 5.907 ( -7.007 3.660 -3.619) 8.695 6.060 ( 8.364 -2.257 3.601) 9.382 7.180 ( 1.720 2.858 -0.467) 3.368 8.073 ( -0.743 2.432 4.293) 4.990 8.344 ( 2.415 1.069 -2.895) 3.918 9.589 ( -4.165 -6.991 0.259) 8.142 10.851 ( -2.942 -4.698 -1.219) 5.676 11.378 ( -3.137 -5.505 1.152) 6.440 11.854 ( -0.903 -0.474 4.389) 4.505 12.044 ( 0.819 1.234 -4.008) 4.273 13.017 ( 7.381 8.256 0.674) 11.095 13.162 ( 1.641 6.481 -1.014) 6.762 17.632 ( -0.832 -0.749 -0.240) 1.145 18.224 ( -0.632 9.260 7.276) 11.793 18.628 ( 11.974 -1.239 -6.922) 13.886 18.848 ( -2.240 5.556 -0.482) 6.010 20.343 ( -8.440 -13.008 -0.434) 15.512 20.995 ( 0.793 1.203 0.573) 1.551 ======================= Grid point 374 (163/172) ======================= q-point: ( 0.40 0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -14.116 8.028 2.078) 16.372 1.979 ( -1.001 6.398 -5.454) 8.467 2.206 ( 1.108 -2.386 10.564) 10.887 2.857 ( 0.577 -5.235 4.286) 6.790 2.904 ( -4.286 -4.084 -3.053) 6.661 3.192 ( 8.309 6.746 0.854) 10.737 3.926 ( 14.040 -7.421 16.350) 22.793 4.331 ( 9.012 -8.679 -11.240) 16.819 4.491 ( 11.736 -11.548 -5.781) 17.450 4.695 ( 0.622 -13.236 -3.070) 13.602 4.833 ( -5.205 1.827 11.667) 12.906 5.285 ( 0.801 -5.406 -9.091) 10.607 5.899 ( -7.767 -2.003 5.794) 9.895 6.014 ( 5.961 6.031 -7.009) 11.002 7.087 ( -1.529 5.222 0.137) 5.443 8.032 ( 1.794 4.574 3.973) 6.318 8.271 ( -6.734 1.737 0.612) 6.981 9.715 ( 4.752 -6.276 1.138) 7.954 10.957 ( 7.276 -8.852 2.770) 11.789 11.491 ( 6.538 -5.642 0.678) 8.663 11.866 ( -0.375 4.403 2.751) 5.205 11.984 ( -0.306 -1.605 -0.252) 1.653 12.829 ( -7.398 8.789 1.256) 11.557 13.052 ( -8.327 8.312 -4.193) 12.491 17.616 ( -2.212 0.971 1.081) 2.647 18.042 ( -2.325 14.198 3.632) 14.838 18.519 ( 0.530 -2.450 0.174) 2.513 18.818 ( -5.387 2.076 -0.106) 5.774 20.648 ( 8.911 -14.049 -2.452) 16.817 20.987 ( -0.374 1.029 -1.352) 1.739 ======================= Grid point 375 (164/172) ======================= q-point: ( 0.50 0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -8.783 8.623 4.750) 13.193 2.083 ( 3.358 9.925 -4.637) 11.458 2.260 ( 1.184 0.950 6.268) 6.449 2.771 ( -5.651 4.366 -4.026) 8.197 2.883 ( 3.844 -11.789 9.541) 15.646 3.310 ( 0.814 3.096 -5.705) 6.542 4.096 ( 7.330 -11.598 2.426) 13.933 4.290 ( 8.768 -15.928 -9.612) 20.567 4.465 ( -6.467 -15.018 -1.853) 16.456 4.592 ( 11.998 -8.873 4.766) 15.665 4.837 ( -2.032 -6.832 11.793) 13.780 5.207 ( -1.465 3.079 -3.941) 5.211 5.809 ( -3.791 -2.887 3.874) 6.141 6.102 ( 1.427 6.143 -4.399) 7.690 7.110 ( -1.826 5.967 -1.699) 6.467 8.069 ( -0.508 1.357 -3.934) 4.193 8.259 ( -1.722 5.645 5.504) 8.070 9.716 ( 2.587 -7.761 1.023) 8.244 10.968 ( 3.537 -10.935 1.847) 11.640 11.508 ( 3.301 -7.389 -1.435) 8.219 11.895 ( 0.856 2.783 -3.782) 4.773 11.991 ( -0.176 0.476 2.590) 2.639 12.807 ( -7.488 8.818 3.951) 12.225 13.045 ( -1.365 12.695 -3.622) 13.272 17.634 ( 1.223 2.771 0.166) 3.034 18.078 ( -5.855 12.438 -5.865) 14.946 18.577 ( 0.649 2.701 3.804) 4.710 18.770 ( -1.248 2.489 1.211) 3.036 20.602 ( 5.079 -18.880 1.558) 19.613 20.983 ( -0.248 0.989 -1.052) 1.465 ======================= Grid point 376 (165/172) ======================= q-point: (-0.40 -0.40 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 2.005 2.700 4.850) 5.902 2.163 ( -5.862 13.799 1.983) 15.123 2.323 ( 5.160 -0.560 -11.325) 12.458 2.798 ( 0.708 8.944 6.661) 11.174 2.903 ( 3.042 -9.493 7.462) 12.452 3.182 ( -5.475 -3.872 -11.104) 12.972 3.995 ( 3.516 -14.196 -14.124) 20.332 4.199 ( -9.032 -7.846 7.208) 13.967 4.245 ( 3.531 -19.016 3.007) 19.573 4.689 ( 0.581 -7.573 1.269) 7.701 4.811 ( 2.280 -9.621 10.953) 14.756 5.241 ( -0.301 6.866 0.649) 6.903 5.792 ( 3.263 -4.558 3.794) 6.769 6.109 ( -3.399 5.355 -4.039) 7.520 7.124 ( -0.036 4.426 -2.994) 5.344 8.051 ( 1.446 1.014 -4.632) 4.958 8.328 ( -1.228 4.620 4.230) 6.383 9.668 ( 0.015 -7.920 0.651) 7.947 10.906 ( 0.288 -9.128 -0.049) 9.133 11.451 ( -0.094 -6.762 -1.863) 7.014 11.909 ( 0.175 3.584 -3.286) 4.866 12.000 ( 0.226 -0.436 -0.302) 0.577 12.837 ( -1.066 6.711 4.774) 8.304 13.151 ( 0.645 12.721 -2.342) 12.951 17.682 ( -0.099 3.851 -0.785) 3.931 18.080 ( 3.116 6.684 -9.206) 11.795 18.565 ( -5.501 2.389 2.135) 6.366 18.858 ( 2.114 6.742 1.936) 7.326 20.487 ( 0.481 -18.824 4.847) 19.444 20.985 ( -0.120 1.263 -0.211) 1.287 ======================= Grid point 378 (166/172) ======================= q-point: (-0.30 -0.40 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 3.339 -5.597 5.368) 8.444 2.177 ( -10.635 12.869 2.726) 16.916 2.263 ( 5.774 -2.988 -20.612) 21.613 2.719 ( -10.231 -9.665 -4.562) 14.795 2.981 ( 5.319 2.919 5.383) 8.111 3.212 ( 9.123 5.411 4.265) 11.433 3.838 ( 2.661 -5.395 -13.318) 14.614 4.019 ( -10.777 -9.756 11.630) 18.617 4.090 ( -4.398 -17.959 2.235) 18.624 4.600 ( -2.736 -2.706 2.212) 4.439 4.812 ( -1.458 -7.794 6.463) 10.230 5.296 ( -0.408 5.543 -1.275) 5.702 5.878 ( 8.923 -7.309 5.645) 12.842 6.046 ( -5.947 5.304 -5.452) 9.656 7.156 ( 2.089 2.327 -2.589) 4.060 8.074 ( 3.419 0.867 -3.113) 4.705 8.354 ( -2.158 2.023 1.814) 3.470 9.578 ( -2.310 -7.028 -0.012) 7.398 10.822 ( -0.946 -5.051 -1.510) 5.357 11.365 ( -1.522 -5.417 -1.393) 5.796 11.919 ( -2.293 2.493 1.786) 3.830 11.989 ( 1.838 -0.689 -5.039) 5.408 12.962 ( 5.798 4.105 3.454) 7.899 13.248 ( -1.092 9.973 -0.868) 10.070 17.672 ( -3.639 2.241 -1.518) 4.535 18.190 ( 12.904 0.879 -9.461) 16.025 18.521 ( -4.156 2.849 2.315) 5.545 18.927 ( -1.463 4.725 -1.110) 5.069 20.350 ( -3.796 -11.514 7.239) 14.121 21.003 ( 0.451 1.600 0.747) 1.823 ======================= Grid point 457 (167/172) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 0.000 -0.000 1.915) 1.915 1.215 ( 0.000 -0.000 1.915) 1.915 2.357 ( 0.000 -0.000 4.814) 4.814 3.104 ( 0.000 -0.000 8.868) 8.868 3.104 ( 0.000 -0.000 8.868) 8.868 3.179 ( -0.000 0.000 -20.847) 20.847 4.347 ( 0.000 -0.000 39.419) 39.419 4.570 ( -0.000 0.000 -6.238) 6.238 4.570 ( -0.000 0.000 -6.238) 6.238 5.099 ( 0.000 -0.000 6.111) 6.111 5.099 ( 0.000 -0.000 6.111) 6.111 5.692 ( -0.000 0.000 -23.161) 23.161 5.813 ( 0.000 -0.000 -1.115) 1.115 5.813 ( -0.000 0.000 -1.115) 1.115 6.892 ( -0.000 0.000 -5.688) 5.688 7.948 ( 0.000 -0.000 3.791) 3.791 7.948 ( 0.000 -0.000 3.791) 3.791 9.947 ( 0.000 -0.000 3.422) 3.422 11.719 ( 0.000 -0.000 5.157) 5.157 11.719 ( 0.000 -0.000 5.157) 5.157 12.039 ( -0.000 0.000 -4.916) 4.916 12.039 ( -0.000 0.000 -4.916) 4.916 12.046 ( 0.000 -0.000 11.135) 11.135 12.430 ( -0.000 0.000 -6.895) 6.895 17.550 ( -0.000 0.000 -0.757) 0.757 17.550 ( -0.000 0.000 -0.757) 0.757 18.643 ( 0.000 -0.000 0.428) 0.428 18.643 ( 0.000 -0.000 0.428) 0.428 20.951 ( -0.000 0.000 -0.027) 0.027 21.205 ( 0.000 -0.000 0.801) 0.801 ======================= Grid point 458 (168/172) ======================= q-point: ( 0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 6.944 15.411 3.539) 17.269 1.421 ( 17.814 0.003 -1.779) 17.902 2.338 ( -4.284 -3.336 7.224) 9.037 2.965 ( -6.664 -1.215 -15.069) 16.521 3.102 ( -1.747 -3.190 9.994) 10.636 3.227 ( 1.691 1.394 2.516) 3.337 4.404 ( -9.596 -7.006 2.342) 12.110 4.521 ( -1.607 -1.462 -5.292) 5.720 4.665 ( 1.641 2.549 25.812) 25.989 4.860 ( -13.864 -6.875 8.456) 17.634 5.153 ( -4.526 -3.127 -4.173) 6.905 5.512 ( -2.874 -3.490 -21.869) 22.332 5.794 ( 2.221 3.983 4.872) 6.674 5.886 ( 3.868 0.950 -4.785) 6.226 6.902 ( 3.780 2.141 -2.985) 5.271 7.954 ( 0.686 -1.488 4.609) 4.892 8.066 ( 5.844 5.145 0.720) 7.819 9.923 ( -3.789 -2.160 2.118) 4.848 11.494 ( -17.657 -9.065 2.880) 20.055 11.758 ( 1.631 -1.038 5.129) 5.481 11.807 ( -9.492 -7.254 1.300) 12.017 12.009 ( -0.829 2.301 -3.695) 4.431 12.398 ( 14.325 7.378 4.637) 16.767 12.577 ( 13.966 8.666 -6.991) 17.861 17.554 ( 0.594 1.985 0.230) 2.084 17.641 ( 8.363 2.879 -0.509) 8.859 18.614 ( -2.340 -0.924 0.838) 2.652 18.683 ( 2.865 1.565 -0.391) 3.288 20.953 ( 0.124 0.107 0.197) 0.256 21.116 ( -8.082 -4.658 -0.216) 9.331 ======================= Grid point 459 (169/172) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 10.259 4.416 -5.748) 12.561 1.815 ( 17.023 12.981 3.974) 21.774 2.290 ( -2.326 -3.442 6.516) 7.727 2.778 ( -2.309 -0.722 -9.009) 9.328 3.110 ( -1.283 -7.057 5.336) 8.940 3.185 ( -7.940 2.911 0.999) 8.516 4.167 ( -12.136 -10.163 13.601) 20.870 4.399 ( -7.072 -0.237 -7.111) 10.032 4.612 ( -13.248 -10.179 1.770) 16.800 4.847 ( 0.313 -2.733 7.064) 7.581 4.944 ( -10.020 -0.634 1.220) 10.114 5.266 ( -2.907 -3.038 -17.973) 18.459 5.870 ( 1.566 -3.823 -3.674) 5.529 5.962 ( 3.746 6.955 4.021) 8.864 7.003 ( 5.537 3.230 0.494) 6.429 7.997 ( 1.735 -1.133 4.960) 5.376 8.221 ( 6.350 5.459 -1.864) 8.579 9.818 ( -6.311 -3.625 0.495) 7.295 11.149 ( -14.320 -8.032 0.996) 16.449 11.602 ( -8.501 -5.548 1.437) 10.252 11.824 ( 2.817 -0.036 4.313) 5.152 12.002 ( -0.223 1.556 -1.641) 2.272 12.683 ( 10.149 6.038 -0.845) 11.839 12.867 ( 14.075 8.134 -1.733) 16.348 17.605 ( 2.480 2.338 0.818) 3.505 17.851 ( 11.018 4.180 2.606) 12.069 18.572 ( -2.553 0.720 0.189) 2.659 18.758 ( 4.721 1.890 -1.212) 5.227 20.854 ( -14.223 -8.077 -1.381) 16.415 20.966 ( 0.661 0.255 -0.459) 0.844 ======================= Grid point 469 (170/172) ======================= q-point: ( 0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 3.059 7.604 5.730) 10.000 1.469 ( -2.580 20.143 -4.169) 20.731 2.380 ( -0.506 -6.561 7.067) 9.656 2.879 ( 1.447 -4.566 -11.414) 12.379 3.165 ( -1.530 -3.372 7.955) 8.774 3.226 ( 0.616 1.843 -0.357) 1.976 4.457 ( 0.285 -4.669 -0.522) 4.707 4.459 ( -1.114 -4.409 -4.678) 6.524 4.869 ( 0.005 -0.114 23.690) 23.691 5.002 ( 7.215 -10.161 5.492) 13.619 5.027 ( -5.246 -12.475 0.042) 13.533 5.309 ( -1.960 -8.130 -19.646) 21.352 5.802 ( 2.316 2.807 2.679) 4.519 5.896 ( -1.561 6.584 -4.253) 7.992 6.890 ( -0.015 5.493 -1.888) 5.808 8.007 ( -2.318 1.976 0.452) 3.080 8.043 ( 2.274 5.855 2.069) 6.613 9.933 ( 0.011 -4.688 1.193) 4.837 11.500 ( 0.526 -20.243 2.376) 20.389 11.803 ( -1.211 1.832 1.965) 2.947 11.818 ( -0.929 -11.130 0.186) 11.170 11.991 ( 1.751 0.982 -3.140) 3.727 12.407 ( -0.690 12.962 5.675) 14.167 12.544 ( 0.496 18.287 -5.690) 19.158 17.565 ( 0.912 2.076 -0.673) 2.366 17.634 ( -1.040 9.519 0.016) 9.576 18.629 ( 0.040 -2.112 -0.524) 2.176 18.669 ( 0.096 2.454 0.932) 2.627 20.953 ( 0.027 0.140 0.207) 0.251 21.113 ( -0.004 -10.053 0.017) 10.053 ======================= Grid point 470 (171/172) ======================= q-point: (-0.40 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 4.219 11.865 -4.469) 13.362 1.736 ( 12.722 16.420 3.676) 21.095 2.327 ( -2.855 -3.824 1.469) 4.993 2.769 ( -2.621 -2.528 -3.370) 4.961 3.137 ( -5.900 -6.726 1.947) 9.157 3.223 ( 2.968 -0.468 -0.723) 3.090 4.296 ( -6.654 -9.320 3.697) 12.034 4.414 ( -0.558 -5.430 -1.772) 5.739 4.775 ( -7.773 -10.722 -0.736) 13.264 4.831 ( -9.679 -12.996 2.564) 16.406 5.003 ( -0.106 -3.877 -10.295) 11.002 5.163 ( -1.439 -3.541 7.994) 8.861 5.863 ( -2.756 4.705 -3.538) 6.500 5.948 ( 6.385 2.326 2.658) 7.297 6.976 ( 3.783 6.547 -0.013) 7.561 8.021 ( 0.238 1.608 2.540) 3.016 8.161 ( 4.355 6.462 -2.291) 8.123 9.855 ( -3.476 -6.046 -0.014) 6.974 11.240 ( -9.015 -15.385 -0.615) 17.842 11.661 ( -5.284 -9.298 1.099) 10.750 11.829 ( 0.975 1.426 2.594) 3.116 11.996 ( 0.426 1.294 -2.997) 3.292 12.621 ( 6.925 10.826 1.021) 12.892 12.770 ( 8.099 14.888 -0.929) 16.974 17.590 ( 1.264 2.024 -1.073) 2.616 17.804 ( 6.744 12.252 1.887) 14.112 18.592 ( -0.442 -2.391 -0.931) 2.604 18.720 ( 1.354 3.516 0.088) 3.769 20.928 ( -7.985 -13.084 -1.061) 15.365 20.962 ( 0.388 -0.028 0.984) 1.058 ======================= Grid point 580 (172/172) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 0.000 -0.000 0.000) 0.000 1.234 ( 0.000 -0.000 0.000) 0.000 2.482 ( 0.000 -0.000 0.000) 0.000 2.880 ( -0.000 0.000 -0.000) 0.000 3.208 ( 0.000 -0.000 0.000) 0.000 3.208 ( 0.000 -0.000 0.000) 0.000 4.495 ( 0.000 -0.000 0.000) 0.000 4.495 ( 0.000 -0.000 0.000) 0.000 5.068 ( 0.000 -0.000 0.000) 0.000 5.147 ( -0.000 0.000 -0.000) 0.000 5.170 ( 0.000 -0.000 0.000) 0.000 5.170 ( 0.000 -0.000 0.000) 0.000 5.798 ( 0.000 -0.000 0.000) 0.000 5.798 ( 0.000 -0.000 0.000) 0.000 6.830 ( 0.000 -0.000 0.000) 0.000 7.989 ( 0.000 -0.000 0.000) 0.000 7.989 ( 0.000 -0.000 0.000) 0.000 9.984 ( 0.000 -0.000 0.000) 0.000 11.793 ( 0.000 -0.000 0.000) 0.000 11.793 ( 0.000 -0.000 0.000) 0.000 11.968 ( 0.000 -0.000 0.000) 0.000 11.968 ( 0.000 -0.000 0.000) 0.000 12.241 ( 0.000 -0.000 0.000) 0.000 12.281 ( -0.000 0.000 -0.000) 0.000 17.542 ( 0.000 -0.000 0.000) 0.000 17.542 ( 0.000 -0.000 0.000) 0.000 18.648 ( 0.000 -0.000 0.000) 0.000 18.648 ( 0.000 -0.000 0.000) 0.000 20.951 ( 0.000 -0.000 0.000) 0.000 21.213 ( 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 3/30000 10.0 139.534 139.534 185.867 0.000 -0.000 -0.000 3/30000 20.0 19.266 19.266 23.983 0.000 -0.000 -0.000 3/30000 30.0 9.088 9.088 10.551 0.000 -0.000 -0.000 3/30000 40.0 5.915 5.915 6.626 0.000 -0.000 -0.000 3/30000 50.0 4.471 4.471 4.884 0.000 -0.000 -0.000 3/30000 60.0 3.658 3.658 3.916 0.000 -0.000 -0.000 3/30000 70.0 3.129 3.129 3.296 0.000 -0.000 -0.000 3/30000 80.0 2.751 2.751 2.862 0.000 -0.000 -0.000 3/30000 90.0 2.464 2.464 2.537 0.000 -0.000 -0.000 3/30000 100.0 2.237 2.237 2.284 0.000 -0.000 -0.000 3/30000 110.0 2.052 2.052 2.080 0.000 -0.000 -0.000 3/30000 120.0 1.898 1.898 1.913 0.000 -0.000 -0.000 3/30000 130.0 1.767 1.767 1.772 0.000 -0.000 -0.000 3/30000 140.0 1.655 1.655 1.652 0.000 -0.000 -0.000 3/30000 150.0 1.558 1.558 1.548 0.000 -0.000 -0.000 3/30000 160.0 1.472 1.472 1.457 0.000 -0.000 -0.000 3/30000 170.0 1.396 1.396 1.377 0.000 -0.000 -0.000 3/30000 180.0 1.328 1.328 1.305 0.000 -0.000 -0.000 3/30000 190.0 1.266 1.266 1.241 0.000 -0.000 -0.000 3/30000 200.0 1.211 1.211 1.183 0.000 -0.000 -0.000 3/30000 210.0 1.160 1.160 1.131 0.000 -0.000 -0.000 3/30000 220.0 1.114 1.114 1.083 0.000 -0.000 -0.000 3/30000 230.0 1.071 1.071 1.039 0.000 -0.000 -0.000 3/30000 240.0 1.031 1.031 0.999 0.000 -0.000 -0.000 3/30000 250.0 0.995 0.995 0.961 0.000 -0.000 -0.000 3/30000 260.0 0.960 0.960 0.927 0.000 -0.000 -0.000 3/30000 270.0 0.929 0.929 0.895 0.000 -0.000 -0.000 3/30000 280.0 0.899 0.899 0.865 0.000 -0.000 -0.000 3/30000 290.0 0.871 0.871 0.837 0.000 -0.000 -0.000 3/30000 300.0 0.845 0.845 0.811 0.000 -0.000 -0.000 3/30000 310.0 0.820 0.820 0.786 0.000 -0.000 -0.000 3/30000 320.0 0.797 0.797 0.763 0.000 -0.000 -0.000 3/30000 330.0 0.775 0.775 0.741 0.000 -0.000 -0.000 3/30000 340.0 0.754 0.754 0.720 0.000 -0.000 -0.000 3/30000 350.0 0.734 0.734 0.701 0.000 -0.000 -0.000 3/30000 360.0 0.715 0.715 0.682 0.000 -0.000 -0.000 3/30000 370.0 0.697 0.697 0.665 0.000 -0.000 -0.000 3/30000 380.0 0.680 0.680 0.648 0.000 -0.000 -0.000 3/30000 390.0 0.664 0.664 0.632 0.000 -0.000 -0.000 3/30000 400.0 0.649 0.649 0.617 0.000 -0.000 -0.000 3/30000 410.0 0.634 0.634 0.603 0.000 -0.000 -0.000 3/30000 420.0 0.620 0.620 0.589 0.000 -0.000 -0.000 3/30000 430.0 0.606 0.606 0.576 0.000 -0.000 -0.000 3/30000 440.0 0.593 0.593 0.563 0.000 -0.000 -0.000 3/30000 450.0 0.581 0.581 0.551 0.000 -0.000 -0.000 3/30000 460.0 0.569 0.569 0.539 0.000 -0.000 -0.000 3/30000 470.0 0.558 0.558 0.528 0.000 -0.000 -0.000 3/30000 480.0 0.547 0.547 0.518 0.000 -0.000 -0.000 3/30000 490.0 0.536 0.536 0.508 0.000 -0.000 -0.000 3/30000 500.0 0.526 0.526 0.498 0.000 -0.000 -0.000 3/30000 510.0 0.516 0.516 0.488 0.000 -0.000 -0.000 3/30000 520.0 0.507 0.507 0.479 0.000 -0.000 -0.000 3/30000 530.0 0.498 0.498 0.470 0.000 -0.000 -0.000 3/30000 540.0 0.489 0.489 0.462 0.000 -0.000 -0.000 3/30000 550.0 0.480 0.480 0.454 0.000 -0.000 -0.000 3/30000 560.0 0.472 0.472 0.446 0.000 -0.000 -0.000 3/30000 570.0 0.464 0.464 0.438 0.000 -0.000 -0.000 3/30000 580.0 0.456 0.456 0.431 0.000 -0.000 -0.000 3/30000 590.0 0.449 0.449 0.424 0.000 -0.000 -0.000 3/30000 600.0 0.442 0.442 0.417 0.000 -0.000 -0.000 3/30000 610.0 0.435 0.435 0.410 0.000 -0.000 -0.000 3/30000 620.0 0.428 0.428 0.404 0.000 -0.000 -0.000 3/30000 630.0 0.421 0.421 0.397 0.000 -0.000 -0.000 3/30000 640.0 0.415 0.415 0.391 0.000 -0.000 -0.000 3/30000 650.0 0.409 0.409 0.385 0.000 -0.000 -0.000 3/30000 660.0 0.403 0.403 0.380 0.000 -0.000 -0.000 3/30000 670.0 0.397 0.397 0.374 0.000 -0.000 -0.000 3/30000 680.0 0.391 0.391 0.369 0.000 -0.000 -0.000 3/30000 690.0 0.386 0.386 0.364 0.000 -0.000 -0.000 3/30000 700.0 0.381 0.381 0.358 0.000 -0.000 -0.000 3/30000 710.0 0.375 0.375 0.353 0.000 -0.000 -0.000 3/30000 720.0 0.370 0.370 0.349 0.000 -0.000 -0.000 3/30000 730.0 0.365 0.365 0.344 0.000 -0.000 -0.000 3/30000 740.0 0.361 0.361 0.339 0.000 -0.000 -0.000 3/30000 750.0 0.356 0.356 0.335 0.000 -0.000 -0.000 3/30000 760.0 0.351 0.351 0.331 0.000 -0.000 -0.000 3/30000 770.0 0.347 0.347 0.326 0.000 -0.000 -0.000 3/30000 780.0 0.342 0.342 0.322 0.000 -0.000 -0.000 3/30000 790.0 0.338 0.338 0.318 0.000 -0.000 -0.000 3/30000 800.0 0.334 0.334 0.314 0.000 -0.000 -0.000 3/30000 810.0 0.330 0.330 0.310 0.000 -0.000 -0.000 3/30000 820.0 0.326 0.326 0.307 0.000 -0.000 -0.000 3/30000 830.0 0.322 0.322 0.303 0.000 -0.000 -0.000 3/30000 840.0 0.319 0.319 0.300 0.000 -0.000 -0.000 3/30000 850.0 0.315 0.315 0.296 0.000 -0.000 -0.000 3/30000 860.0 0.311 0.311 0.293 0.000 -0.000 -0.000 3/30000 870.0 0.308 0.308 0.289 0.000 -0.000 -0.000 3/30000 880.0 0.304 0.304 0.286 0.000 -0.000 -0.000 3/30000 890.0 0.301 0.301 0.283 0.000 -0.000 -0.000 3/30000 900.0 0.298 0.298 0.280 0.000 -0.000 -0.000 3/30000 910.0 0.295 0.295 0.277 0.000 -0.000 -0.000 3/30000 920.0 0.291 0.291 0.274 0.000 -0.000 -0.000 3/30000 930.0 0.288 0.288 0.271 0.000 -0.000 -0.000 3/30000 940.0 0.285 0.285 0.268 0.000 -0.000 -0.000 3/30000 950.0 0.282 0.282 0.265 0.000 -0.000 -0.000 3/30000 960.0 0.279 0.279 0.263 0.000 -0.000 -0.000 3/30000 970.0 0.277 0.277 0.260 0.000 -0.000 -0.000 3/30000 980.0 0.274 0.274 0.257 0.000 -0.000 -0.000 3/30000 990.0 0.271 0.271 0.255 0.000 -0.000 -0.000 3/30000 1000.0 0.268 0.268 0.252 0.000 -0.000 -0.000 3/30000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:20:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|