----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:16:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.351120410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.683510069999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.283696340000000 Atomic positions (fractional): *1 Lu 0.00000000000000 0.72569364831361 0.98382693780837 174.967 2 Lu 0.50000000000000 0.27430635168639 0.48382693780836 174.967 *3 H 0.50000000000000 0.19846338076622 0.96554870681287 1.008 4 H 0.00000000000000 0.80153661923378 0.46554870681287 1.008 *5 O 0.50000000000000 0.01743514476476 0.85182726954175 15.999 *6 O 0.00000000000000 0.52044399754249 0.62157308583702 15.999 7 O 0.00000000000000 0.98256485523524 0.35182726954175 15.999 8 O 0.50000000000000 0.47955600245751 0.12157308583703 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.351120410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.683510069999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.283696340000000 Atomic positions (fractional): *1 Lu 0.00000000000000 0.72569364831361 0.98382693780837 174.967 > 1 2 Lu 0.50000000000000 0.27430635168639 0.48382693780836 174.967 > 2 *3 H 0.50000000000000 0.19846338076622 0.96554870681287 1.008 > 3 4 H 0.00000000000000 0.80153661923378 0.46554870681287 1.008 > 4 *5 O 0.50000000000000 0.01743514476476 0.85182726954175 15.999 > 5 *6 O 0.00000000000000 0.52044399754249 0.62157308583702 15.999 > 6 7 O 0.00000000000000 0.98256485523524 0.35182726954175 15.999 > 7 8 O 0.50000000000000 0.47955600245751 0.12157308583703 15.999 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.053361230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.050530209999996 0.000000000000000 c 0.000000000000000 0.000000000000000 10.567392679999999 Atomic positions (fractional): *1 Lu 0.00000000000000 0.24189788277120 0.49191346890418 174.967 > 1 2 Lu 0.33333333333333 0.24189788277120 0.49191346890418 174.967 > 1 3 Lu 0.66666666666667 0.24189788277120 0.49191346890418 174.967 > 1 4 Lu 0.00000000000000 0.57523121610454 0.49191346890418 174.967 > 1 5 Lu 0.33333333333333 0.57523121610454 0.49191346890418 174.967 > 1 6 Lu 0.66666666666667 0.57523121610454 0.49191346890418 174.967 > 1 7 Lu 0.00000000000000 0.90856454943787 0.49191346890418 174.967 > 1 8 Lu 0.33333333333333 0.90856454943787 0.49191346890418 174.967 > 1 9 Lu 0.66666666666667 0.90856454943787 0.49191346890418 174.967 > 1 10 Lu 0.00000000000000 0.24189788277120 0.99191346890418 174.967 > 1 11 Lu 0.33333333333333 0.24189788277120 0.99191346890418 174.967 > 1 12 Lu 0.66666666666667 0.24189788277120 0.99191346890418 174.967 > 1 13 Lu 0.00000000000000 0.57523121610454 0.99191346890418 174.967 > 1 14 Lu 0.33333333333333 0.57523121610454 0.99191346890418 174.967 > 1 15 Lu 0.66666666666667 0.57523121610454 0.99191346890418 174.967 > 1 16 Lu 0.00000000000000 0.90856454943787 0.99191346890418 174.967 > 1 17 Lu 0.33333333333333 0.90856454943787 0.99191346890418 174.967 > 1 18 Lu 0.66666666666667 0.90856454943787 0.99191346890418 174.967 > 1 19 Lu 0.16666666666667 0.09143545056213 0.24191346890418 174.967 > 2 20 Lu 0.50000000000000 0.09143545056213 0.24191346890418 174.967 > 2 21 Lu 0.83333333333333 0.09143545056213 0.24191346890418 174.967 > 2 22 Lu 0.16666666666667 0.42476878389546 0.24191346890418 174.967 > 2 23 Lu 0.50000000000000 0.42476878389546 0.24191346890418 174.967 > 2 24 Lu 0.83333333333333 0.42476878389546 0.24191346890418 174.967 > 2 25 Lu 0.16666666666667 0.75810211722880 0.24191346890418 174.967 > 2 26 Lu 0.50000000000000 0.75810211722880 0.24191346890418 174.967 > 2 27 Lu 0.83333333333333 0.75810211722880 0.24191346890418 174.967 > 2 28 Lu 0.16666666666667 0.09143545056213 0.74191346890418 174.967 > 2 29 Lu 0.50000000000000 0.09143545056213 0.74191346890418 174.967 > 2 30 Lu 0.83333333333333 0.09143545056213 0.74191346890418 174.967 > 2 31 Lu 0.16666666666667 0.42476878389546 0.74191346890418 174.967 > 2 32 Lu 0.50000000000000 0.42476878389546 0.74191346890418 174.967 > 2 33 Lu 0.83333333333333 0.42476878389546 0.74191346890418 174.967 > 2 34 Lu 0.16666666666667 0.75810211722880 0.74191346890418 174.967 > 2 35 Lu 0.50000000000000 0.75810211722880 0.74191346890418 174.967 > 2 36 Lu 0.83333333333333 0.75810211722880 0.74191346890418 174.967 > 2 *37 H 0.16666666666667 0.06615446025541 0.48277435340643 1.008 > 3 38 H 0.50000000000000 0.06615446025541 0.48277435340643 1.008 > 3 39 H 0.83333333333333 0.06615446025541 0.48277435340643 1.008 > 3 40 H 0.16666666666667 0.39948779358874 0.48277435340643 1.008 > 3 41 H 0.50000000000000 0.39948779358874 0.48277435340643 1.008 > 3 42 H 0.83333333333333 0.39948779358874 0.48277435340643 1.008 > 3 43 H 0.16666666666667 0.73282112692207 0.48277435340643 1.008 > 3 44 H 0.50000000000000 0.73282112692207 0.48277435340643 1.008 > 3 45 H 0.83333333333333 0.73282112692207 0.48277435340643 1.008 > 3 46 H 0.16666666666667 0.06615446025541 0.98277435340644 1.008 > 3 47 H 0.50000000000000 0.06615446025541 0.98277435340644 1.008 > 3 48 H 0.83333333333333 0.06615446025541 0.98277435340644 1.008 > 3 49 H 0.16666666666667 0.39948779358874 0.98277435340644 1.008 > 3 50 H 0.50000000000000 0.39948779358874 0.98277435340644 1.008 > 3 51 H 0.83333333333333 0.39948779358874 0.98277435340644 1.008 > 3 52 H 0.16666666666667 0.73282112692207 0.98277435340644 1.008 > 3 53 H 0.50000000000000 0.73282112692207 0.98277435340644 1.008 > 3 54 H 0.83333333333333 0.73282112692207 0.98277435340644 1.008 > 3 55 H 0.00000000000000 0.26717887307793 0.23277435340643 1.008 > 4 56 H 0.33333333333333 0.26717887307793 0.23277435340643 1.008 > 4 57 H 0.66666666666667 0.26717887307793 0.23277435340643 1.008 > 4 58 H 0.00000000000000 0.60051220641126 0.23277435340643 1.008 > 4 59 H 0.33333333333333 0.60051220641126 0.23277435340643 1.008 > 4 60 H 0.66666666666667 0.60051220641126 0.23277435340643 1.008 > 4 61 H 0.00000000000000 0.93384553974459 0.23277435340643 1.008 > 4 62 H 0.33333333333333 0.93384553974459 0.23277435340643 1.008 > 4 63 H 0.66666666666667 0.93384553974459 0.23277435340643 1.008 > 4 64 H 0.00000000000000 0.26717887307793 0.73277435340644 1.008 > 4 65 H 0.33333333333333 0.26717887307793 0.73277435340644 1.008 > 4 66 H 0.66666666666667 0.26717887307793 0.73277435340644 1.008 > 4 67 H 0.00000000000000 0.60051220641126 0.73277435340644 1.008 > 4 68 H 0.33333333333333 0.60051220641126 0.73277435340644 1.008 > 4 69 H 0.66666666666667 0.60051220641126 0.73277435340644 1.008 > 4 70 H 0.00000000000000 0.93384553974459 0.73277435340644 1.008 > 4 71 H 0.33333333333333 0.93384553974459 0.73277435340644 1.008 > 4 72 H 0.66666666666667 0.93384553974459 0.73277435340644 1.008 > 4 *73 O 0.16666666666667 0.00581171492159 0.42591363477088 15.999 > 5 74 O 0.50000000000000 0.00581171492159 0.42591363477088 15.999 > 5 75 O 0.83333333333333 0.00581171492159 0.42591363477088 15.999 > 5 76 O 0.16666666666667 0.33914504825492 0.42591363477088 15.999 > 5 77 O 0.50000000000000 0.33914504825492 0.42591363477088 15.999 > 5 78 O 0.83333333333333 0.33914504825492 0.42591363477088 15.999 > 5 79 O 0.16666666666667 0.67247838158825 0.42591363477088 15.999 > 5 80 O 0.50000000000000 0.67247838158825 0.42591363477088 15.999 > 5 81 O 0.83333333333333 0.67247838158825 0.42591363477088 15.999 > 5 82 O 0.16666666666667 0.00581171492159 0.92591363477088 15.999 > 5 83 O 0.50000000000000 0.00581171492159 0.92591363477088 15.999 > 5 84 O 0.83333333333333 0.00581171492159 0.92591363477088 15.999 > 5 85 O 0.16666666666667 0.33914504825492 0.92591363477088 15.999 > 5 86 O 0.50000000000000 0.33914504825492 0.92591363477088 15.999 > 5 87 O 0.83333333333333 0.33914504825492 0.92591363477088 15.999 > 5 88 O 0.16666666666667 0.67247838158825 0.92591363477088 15.999 > 5 89 O 0.50000000000000 0.67247838158825 0.92591363477088 15.999 > 5 90 O 0.83333333333333 0.67247838158825 0.92591363477088 15.999 > 5 *91 O 0.00000000000000 0.17348133251416 0.31078654291851 15.999 > 6 92 O 0.33333333333333 0.17348133251416 0.31078654291851 15.999 > 6 93 O 0.66666666666667 0.17348133251416 0.31078654291851 15.999 > 6 94 O 0.00000000000000 0.50681466584750 0.31078654291851 15.999 > 6 95 O 0.33333333333333 0.50681466584750 0.31078654291851 15.999 > 6 96 O 0.66666666666667 0.50681466584750 0.31078654291851 15.999 > 6 97 O 0.00000000000000 0.84014799918083 0.31078654291851 15.999 > 6 98 O 0.33333333333333 0.84014799918083 0.31078654291851 15.999 > 6 99 O 0.66666666666667 0.84014799918083 0.31078654291851 15.999 > 6 100 O 0.00000000000000 0.17348133251416 0.81078654291851 15.999 > 6 101 O 0.33333333333333 0.17348133251416 0.81078654291851 15.999 > 6 102 O 0.66666666666667 0.17348133251416 0.81078654291851 15.999 > 6 103 O 0.00000000000000 0.50681466584750 0.81078654291851 15.999 > 6 104 O 0.33333333333333 0.50681466584750 0.81078654291851 15.999 > 6 105 O 0.66666666666667 0.50681466584750 0.81078654291851 15.999 > 6 106 O 0.00000000000000 0.84014799918083 0.81078654291851 15.999 > 6 107 O 0.33333333333333 0.84014799918083 0.81078654291851 15.999 > 6 108 O 0.66666666666667 0.84014799918083 0.81078654291851 15.999 > 6 109 O 0.00000000000000 0.32752161841175 0.17591363477088 15.999 > 7 110 O 0.33333333333333 0.32752161841175 0.17591363477088 15.999 > 7 111 O 0.66666666666667 0.32752161841175 0.17591363477088 15.999 > 7 112 O 0.00000000000000 0.66085495174508 0.17591363477088 15.999 > 7 113 O 0.33333333333333 0.66085495174508 0.17591363477088 15.999 > 7 114 O 0.66666666666667 0.66085495174508 0.17591363477088 15.999 > 7 115 O 0.00000000000000 0.99418828507841 0.17591363477088 15.999 > 7 116 O 0.33333333333333 0.99418828507841 0.17591363477088 15.999 > 7 117 O 0.66666666666667 0.99418828507841 0.17591363477088 15.999 > 7 118 O 0.00000000000000 0.32752161841175 0.67591363477088 15.999 > 7 119 O 0.33333333333333 0.32752161841175 0.67591363477088 15.999 > 7 120 O 0.66666666666667 0.32752161841175 0.67591363477088 15.999 > 7 121 O 0.00000000000000 0.66085495174508 0.67591363477088 15.999 > 7 122 O 0.33333333333333 0.66085495174508 0.67591363477088 15.999 > 7 123 O 0.66666666666667 0.66085495174508 0.67591363477088 15.999 > 7 124 O 0.00000000000000 0.99418828507841 0.67591363477088 15.999 > 7 125 O 0.33333333333333 0.99418828507841 0.67591363477088 15.999 > 7 126 O 0.66666666666667 0.99418828507841 0.67591363477088 15.999 > 7 127 O 0.16666666666667 0.15985200081917 0.06078654291851 15.999 > 8 128 O 0.50000000000000 0.15985200081917 0.06078654291851 15.999 > 8 129 O 0.83333333333333 0.15985200081917 0.06078654291851 15.999 > 8 130 O 0.16666666666667 0.49318533415250 0.06078654291851 15.999 > 8 131 O 0.50000000000000 0.49318533415250 0.06078654291851 15.999 > 8 132 O 0.83333333333333 0.49318533415250 0.06078654291851 15.999 > 8 133 O 0.16666666666667 0.82651866748584 0.06078654291851 15.999 > 8 134 O 0.50000000000000 0.82651866748584 0.06078654291851 15.999 > 8 135 O 0.83333333333333 0.82651866748584 0.06078654291851 15.999 > 8 136 O 0.16666666666667 0.15985200081917 0.56078654291851 15.999 > 8 137 O 0.50000000000000 0.15985200081917 0.56078654291851 15.999 > 8 138 O 0.83333333333333 0.15985200081917 0.56078654291851 15.999 > 8 139 O 0.16666666666667 0.49318533415250 0.56078654291851 15.999 > 8 140 O 0.50000000000000 0.49318533415250 0.56078654291851 15.999 > 8 141 O 0.83333333333333 0.49318533415250 0.56078654291851 15.999 > 8 142 O 0.16666666666667 0.82651866748584 0.56078654291851 15.999 > 8 143 O 0.50000000000000 0.82651866748584 0.56078654291851 15.999 > 8 144 O 0.83333333333333 0.82651866748584 0.56078654291851 15.999 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6961417 0.0000000 0.0000000 0.0000000 3.6170960 0.0000000 0.0000000 0.0000000 3.6702439 -------------------------- Born effective charges -------------------------- 1 Lu 4.0089924 0.0000000 0.0000000 0.0000000 3.3880910 0.1410688 0.0000000 0.1185994 3.7584464 2 Lu 4.0089924 0.0000000 0.0000000 0.0000000 3.3880910 -0.1410688 0.0000000 -0.1185994 3.7584464 3 H 0.2402510 0.0000000 0.0000000 0.0000000 1.3831739 0.7226438 0.0000000 0.6646295 0.7142357 4 H 0.2402510 0.0000000 0.0000000 0.0000000 1.3831739 -0.7226438 0.0000000 -0.6646295 0.7142357 5 O -1.8535096 0.0000000 0.0000000 0.0000000 -2.4374414 0.1609011 0.0000000 0.1644948 -1.9786685 6 O -2.3957339 0.0000000 0.0000000 0.0000000 -2.3338235 -0.3717769 0.0000000 -0.3956563 -2.4940135 7 O -1.8535096 0.0000000 0.0000000 0.0000000 -2.4374414 -0.1609011 0.0000000 -0.1644948 -1.9786685 8 O -2.3957339 0.0000000 0.0000000 0.0000000 -2.3338235 0.3717769 0.0000000 0.3956563 -2.4940135 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1368 Number of blocks in projector: 1368 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1348), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (384, 376), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 240 - Time: 2.240 Solver_block: 200 / 240 - Time: 2.245 Solver_block: 240 / 240 - Time: 0.972 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.490 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1368 Number of blocks in projector: 1368 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1348), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (384, 376), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:16:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:16:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.351120410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.683510069999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.283696340000000 Atomic positions (fractional): 1 Lu 0.00000000000000 0.72569364831361 0.98382693780837 174.967 2 Lu 0.50000000000000 0.27430635168639 0.48382693780836 174.967 3 H 0.50000000000000 0.19846338076622 0.96554870681287 1.008 4 H 0.00000000000000 0.80153661923378 0.46554870681287 1.008 5 O 0.50000000000000 0.01743514476476 0.85182726954175 15.999 6 O 0.00000000000000 0.52044399754249 0.62157308583702 15.999 7 O 0.00000000000000 0.98256485523524 0.35182726954175 15.999 8 O 0.50000000000000 0.47955600245751 0.12157308583703 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.053361230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.050530209999996 0.000000000000000 c 0.000000000000000 0.000000000000000 10.567392679999999 Atomic positions (fractional): 1 Lu 0.00000000000000 0.24189788277120 0.49191346890418 174.967 > 1 2 Lu 0.33333333333333 0.24189788277120 0.49191346890418 174.967 > 1 3 Lu 0.66666666666667 0.24189788277120 0.49191346890418 174.967 > 1 4 Lu 0.00000000000000 0.57523121610454 0.49191346890418 174.967 > 1 5 Lu 0.33333333333333 0.57523121610454 0.49191346890418 174.967 > 1 6 Lu 0.66666666666667 0.57523121610454 0.49191346890418 174.967 > 1 7 Lu 0.00000000000000 0.90856454943787 0.49191346890418 174.967 > 1 8 Lu 0.33333333333333 0.90856454943787 0.49191346890418 174.967 > 1 9 Lu 0.66666666666667 0.90856454943787 0.49191346890418 174.967 > 1 10 Lu 0.00000000000000 0.24189788277120 0.99191346890418 174.967 > 1 11 Lu 0.33333333333333 0.24189788277120 0.99191346890418 174.967 > 1 12 Lu 0.66666666666667 0.24189788277120 0.99191346890418 174.967 > 1 13 Lu 0.00000000000000 0.57523121610454 0.99191346890418 174.967 > 1 14 Lu 0.33333333333333 0.57523121610454 0.99191346890418 174.967 > 1 15 Lu 0.66666666666667 0.57523121610454 0.99191346890418 174.967 > 1 16 Lu 0.00000000000000 0.90856454943787 0.99191346890418 174.967 > 1 17 Lu 0.33333333333333 0.90856454943787 0.99191346890418 174.967 > 1 18 Lu 0.66666666666667 0.90856454943787 0.99191346890418 174.967 > 1 19 Lu 0.16666666666667 0.09143545056213 0.24191346890418 174.967 > 19 20 Lu 0.50000000000000 0.09143545056213 0.24191346890418 174.967 > 19 21 Lu 0.83333333333333 0.09143545056213 0.24191346890418 174.967 > 19 22 Lu 0.16666666666667 0.42476878389546 0.24191346890418 174.967 > 19 23 Lu 0.50000000000000 0.42476878389546 0.24191346890418 174.967 > 19 24 Lu 0.83333333333333 0.42476878389546 0.24191346890418 174.967 > 19 25 Lu 0.16666666666667 0.75810211722880 0.24191346890418 174.967 > 19 26 Lu 0.50000000000000 0.75810211722880 0.24191346890418 174.967 > 19 27 Lu 0.83333333333333 0.75810211722880 0.24191346890418 174.967 > 19 28 Lu 0.16666666666667 0.09143545056213 0.74191346890418 174.967 > 19 29 Lu 0.50000000000000 0.09143545056213 0.74191346890418 174.967 > 19 30 Lu 0.83333333333333 0.09143545056213 0.74191346890418 174.967 > 19 31 Lu 0.16666666666667 0.42476878389546 0.74191346890418 174.967 > 19 32 Lu 0.50000000000000 0.42476878389546 0.74191346890418 174.967 > 19 33 Lu 0.83333333333333 0.42476878389546 0.74191346890418 174.967 > 19 34 Lu 0.16666666666667 0.75810211722880 0.74191346890418 174.967 > 19 35 Lu 0.50000000000000 0.75810211722880 0.74191346890418 174.967 > 19 36 Lu 0.83333333333333 0.75810211722880 0.74191346890418 174.967 > 19 37 H 0.16666666666667 0.06615446025541 0.48277435340643 1.008 > 37 38 H 0.50000000000000 0.06615446025541 0.48277435340643 1.008 > 37 39 H 0.83333333333333 0.06615446025541 0.48277435340643 1.008 > 37 40 H 0.16666666666667 0.39948779358874 0.48277435340643 1.008 > 37 41 H 0.50000000000000 0.39948779358874 0.48277435340643 1.008 > 37 42 H 0.83333333333333 0.39948779358874 0.48277435340643 1.008 > 37 43 H 0.16666666666667 0.73282112692207 0.48277435340643 1.008 > 37 44 H 0.50000000000000 0.73282112692207 0.48277435340643 1.008 > 37 45 H 0.83333333333333 0.73282112692207 0.48277435340643 1.008 > 37 46 H 0.16666666666667 0.06615446025541 0.98277435340644 1.008 > 37 47 H 0.50000000000000 0.06615446025541 0.98277435340644 1.008 > 37 48 H 0.83333333333333 0.06615446025541 0.98277435340644 1.008 > 37 49 H 0.16666666666667 0.39948779358874 0.98277435340644 1.008 > 37 50 H 0.50000000000000 0.39948779358874 0.98277435340644 1.008 > 37 51 H 0.83333333333333 0.39948779358874 0.98277435340644 1.008 > 37 52 H 0.16666666666667 0.73282112692207 0.98277435340644 1.008 > 37 53 H 0.50000000000000 0.73282112692207 0.98277435340644 1.008 > 37 54 H 0.83333333333333 0.73282112692207 0.98277435340644 1.008 > 37 55 H 0.00000000000000 0.26717887307793 0.23277435340643 1.008 > 55 56 H 0.33333333333333 0.26717887307793 0.23277435340643 1.008 > 55 57 H 0.66666666666667 0.26717887307793 0.23277435340643 1.008 > 55 58 H 0.00000000000000 0.60051220641126 0.23277435340643 1.008 > 55 59 H 0.33333333333333 0.60051220641126 0.23277435340643 1.008 > 55 60 H 0.66666666666667 0.60051220641126 0.23277435340643 1.008 > 55 61 H 0.00000000000000 0.93384553974459 0.23277435340643 1.008 > 55 62 H 0.33333333333333 0.93384553974459 0.23277435340643 1.008 > 55 63 H 0.66666666666667 0.93384553974459 0.23277435340643 1.008 > 55 64 H 0.00000000000000 0.26717887307793 0.73277435340644 1.008 > 55 65 H 0.33333333333333 0.26717887307793 0.73277435340644 1.008 > 55 66 H 0.66666666666667 0.26717887307793 0.73277435340644 1.008 > 55 67 H 0.00000000000000 0.60051220641126 0.73277435340644 1.008 > 55 68 H 0.33333333333333 0.60051220641126 0.73277435340644 1.008 > 55 69 H 0.66666666666667 0.60051220641126 0.73277435340644 1.008 > 55 70 H 0.00000000000000 0.93384553974459 0.73277435340644 1.008 > 55 71 H 0.33333333333333 0.93384553974459 0.73277435340644 1.008 > 55 72 H 0.66666666666667 0.93384553974459 0.73277435340644 1.008 > 55 73 O 0.16666666666667 0.00581171492159 0.42591363477088 15.999 > 73 74 O 0.50000000000000 0.00581171492159 0.42591363477088 15.999 > 73 75 O 0.83333333333333 0.00581171492159 0.42591363477088 15.999 > 73 76 O 0.16666666666667 0.33914504825492 0.42591363477088 15.999 > 73 77 O 0.50000000000000 0.33914504825492 0.42591363477088 15.999 > 73 78 O 0.83333333333333 0.33914504825492 0.42591363477088 15.999 > 73 79 O 0.16666666666667 0.67247838158825 0.42591363477088 15.999 > 73 80 O 0.50000000000000 0.67247838158825 0.42591363477088 15.999 > 73 81 O 0.83333333333333 0.67247838158825 0.42591363477088 15.999 > 73 82 O 0.16666666666667 0.00581171492159 0.92591363477088 15.999 > 73 83 O 0.50000000000000 0.00581171492159 0.92591363477088 15.999 > 73 84 O 0.83333333333333 0.00581171492159 0.92591363477088 15.999 > 73 85 O 0.16666666666667 0.33914504825492 0.92591363477088 15.999 > 73 86 O 0.50000000000000 0.33914504825492 0.92591363477088 15.999 > 73 87 O 0.83333333333333 0.33914504825492 0.92591363477088 15.999 > 73 88 O 0.16666666666667 0.67247838158825 0.92591363477088 15.999 > 73 89 O 0.50000000000000 0.67247838158825 0.92591363477088 15.999 > 73 90 O 0.83333333333333 0.67247838158825 0.92591363477088 15.999 > 73 91 O 0.00000000000000 0.17348133251416 0.31078654291851 15.999 > 91 92 O 0.33333333333333 0.17348133251416 0.31078654291851 15.999 > 91 93 O 0.66666666666667 0.17348133251416 0.31078654291851 15.999 > 91 94 O 0.00000000000000 0.50681466584750 0.31078654291851 15.999 > 91 95 O 0.33333333333333 0.50681466584750 0.31078654291851 15.999 > 91 96 O 0.66666666666667 0.50681466584750 0.31078654291851 15.999 > 91 97 O 0.00000000000000 0.84014799918083 0.31078654291851 15.999 > 91 98 O 0.33333333333333 0.84014799918083 0.31078654291851 15.999 > 91 99 O 0.66666666666667 0.84014799918083 0.31078654291851 15.999 > 91 100 O 0.00000000000000 0.17348133251416 0.81078654291851 15.999 > 91 101 O 0.33333333333333 0.17348133251416 0.81078654291851 15.999 > 91 102 O 0.66666666666667 0.17348133251416 0.81078654291851 15.999 > 91 103 O 0.00000000000000 0.50681466584750 0.81078654291851 15.999 > 91 104 O 0.33333333333333 0.50681466584750 0.81078654291851 15.999 > 91 105 O 0.66666666666667 0.50681466584750 0.81078654291851 15.999 > 91 106 O 0.00000000000000 0.84014799918083 0.81078654291851 15.999 > 91 107 O 0.33333333333333 0.84014799918083 0.81078654291851 15.999 > 91 108 O 0.66666666666667 0.84014799918083 0.81078654291851 15.999 > 91 109 O 0.00000000000000 0.32752161841175 0.17591363477088 15.999 > 109 110 O 0.33333333333333 0.32752161841175 0.17591363477088 15.999 > 109 111 O 0.66666666666667 0.32752161841175 0.17591363477088 15.999 > 109 112 O 0.00000000000000 0.66085495174508 0.17591363477088 15.999 > 109 113 O 0.33333333333333 0.66085495174508 0.17591363477088 15.999 > 109 114 O 0.66666666666667 0.66085495174508 0.17591363477088 15.999 > 109 115 O 0.00000000000000 0.99418828507841 0.17591363477088 15.999 > 109 116 O 0.33333333333333 0.99418828507841 0.17591363477088 15.999 > 109 117 O 0.66666666666667 0.99418828507841 0.17591363477088 15.999 > 109 118 O 0.00000000000000 0.32752161841175 0.67591363477088 15.999 > 109 119 O 0.33333333333333 0.32752161841175 0.67591363477088 15.999 > 109 120 O 0.66666666666667 0.32752161841175 0.67591363477088 15.999 > 109 121 O 0.00000000000000 0.66085495174508 0.67591363477088 15.999 > 109 122 O 0.33333333333333 0.66085495174508 0.67591363477088 15.999 > 109 123 O 0.66666666666667 0.66085495174508 0.67591363477088 15.999 > 109 124 O 0.00000000000000 0.99418828507841 0.67591363477088 15.999 > 109 125 O 0.33333333333333 0.99418828507841 0.67591363477088 15.999 > 109 126 O 0.66666666666667 0.99418828507841 0.67591363477088 15.999 > 109 127 O 0.16666666666667 0.15985200081917 0.06078654291851 15.999 > 127 128 O 0.50000000000000 0.15985200081917 0.06078654291851 15.999 > 127 129 O 0.83333333333333 0.15985200081917 0.06078654291851 15.999 > 127 130 O 0.16666666666667 0.49318533415250 0.06078654291851 15.999 > 127 131 O 0.50000000000000 0.49318533415250 0.06078654291851 15.999 > 127 132 O 0.83333333333333 0.49318533415250 0.06078654291851 15.999 > 127 133 O 0.16666666666667 0.82651866748584 0.06078654291851 15.999 > 127 134 O 0.50000000000000 0.82651866748584 0.06078654291851 15.999 > 127 135 O 0.83333333333333 0.82651866748584 0.06078654291851 15.999 > 127 136 O 0.16666666666667 0.15985200081917 0.56078654291851 15.999 > 127 137 O 0.50000000000000 0.15985200081917 0.56078654291851 15.999 > 127 138 O 0.83333333333333 0.15985200081917 0.56078654291851 15.999 > 127 139 O 0.16666666666667 0.49318533415250 0.56078654291851 15.999 > 127 140 O 0.50000000000000 0.49318533415250 0.56078654291851 15.999 > 127 141 O 0.83333333333333 0.49318533415250 0.56078654291851 15.999 > 127 142 O 0.16666666666667 0.82651866748584 0.56078654291851 15.999 > 127 143 O 0.50000000000000 0.82651866748584 0.56078654291851 15.999 > 127 144 O 0.83333333333333 0.82651866748584 0.56078654291851 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6961417 0.0000000 0.0000000 0.0000000 3.6170960 0.0000000 0.0000000 0.0000000 3.6702439 -------------------------- Born effective charges -------------------------- 1 Lu 4.0089924 0.0000000 0.0000000 0.0000000 3.3880910 0.1410688 0.0000000 0.1185994 3.7584464 2 Lu 4.0089924 0.0000000 0.0000000 0.0000000 3.3880910 -0.1410688 0.0000000 -0.1185994 3.7584464 3 H 0.2402510 0.0000000 0.0000000 0.0000000 1.3831739 0.7226438 0.0000000 0.6646295 0.7142357 4 H 0.2402510 0.0000000 0.0000000 0.0000000 1.3831739 -0.7226438 0.0000000 -0.6646295 0.7142357 5 O -1.8535096 0.0000000 0.0000000 0.0000000 -2.4374414 0.1609011 0.0000000 0.1644948 -1.9786685 6 O -2.3957339 0.0000000 0.0000000 0.0000000 -2.3338235 -0.3717769 0.0000000 -0.3956563 -2.4940135 7 O -1.8535096 0.0000000 0.0000000 0.0000000 -2.4374414 -0.1609011 0.0000000 -0.1644948 -1.9786685 8 O -2.3957339 0.0000000 0.0000000 0.0000000 -2.3338235 0.3717769 0.0000000 0.3956563 -2.4940135 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 91, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:16:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:16:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.351120410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.683510069999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.283696340000000 Atomic positions (fractional): 1 Lu 0.00000000000000 0.72569364831361 0.98382693780837 174.967 2 Lu 0.50000000000000 0.27430635168639 0.48382693780836 174.967 3 H 0.50000000000000 0.19846338076622 0.96554870681287 1.008 4 H 0.00000000000000 0.80153661923378 0.46554870681287 1.008 5 O 0.50000000000000 0.01743514476476 0.85182726954175 15.999 6 O 0.00000000000000 0.52044399754249 0.62157308583702 15.999 7 O 0.00000000000000 0.98256485523524 0.35182726954175 15.999 8 O 0.50000000000000 0.47955600245751 0.12157308583703 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.053361230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.050530209999996 0.000000000000000 c 0.000000000000000 0.000000000000000 10.567392679999999 Atomic positions (fractional): 1 Lu 0.00000000000000 0.24189788277120 0.49191346890418 174.967 > 1 2 Lu 0.33333333333333 0.24189788277120 0.49191346890418 174.967 > 1 3 Lu 0.66666666666667 0.24189788277120 0.49191346890418 174.967 > 1 4 Lu 0.00000000000000 0.57523121610454 0.49191346890418 174.967 > 1 5 Lu 0.33333333333333 0.57523121610454 0.49191346890418 174.967 > 1 6 Lu 0.66666666666667 0.57523121610454 0.49191346890418 174.967 > 1 7 Lu 0.00000000000000 0.90856454943787 0.49191346890418 174.967 > 1 8 Lu 0.33333333333333 0.90856454943787 0.49191346890418 174.967 > 1 9 Lu 0.66666666666667 0.90856454943787 0.49191346890418 174.967 > 1 10 Lu 0.00000000000000 0.24189788277120 0.99191346890418 174.967 > 1 11 Lu 0.33333333333333 0.24189788277120 0.99191346890418 174.967 > 1 12 Lu 0.66666666666667 0.24189788277120 0.99191346890418 174.967 > 1 13 Lu 0.00000000000000 0.57523121610454 0.99191346890418 174.967 > 1 14 Lu 0.33333333333333 0.57523121610454 0.99191346890418 174.967 > 1 15 Lu 0.66666666666667 0.57523121610454 0.99191346890418 174.967 > 1 16 Lu 0.00000000000000 0.90856454943787 0.99191346890418 174.967 > 1 17 Lu 0.33333333333333 0.90856454943787 0.99191346890418 174.967 > 1 18 Lu 0.66666666666667 0.90856454943787 0.99191346890418 174.967 > 1 19 Lu 0.16666666666667 0.09143545056213 0.24191346890418 174.967 > 19 20 Lu 0.50000000000000 0.09143545056213 0.24191346890418 174.967 > 19 21 Lu 0.83333333333333 0.09143545056213 0.24191346890418 174.967 > 19 22 Lu 0.16666666666667 0.42476878389546 0.24191346890418 174.967 > 19 23 Lu 0.50000000000000 0.42476878389546 0.24191346890418 174.967 > 19 24 Lu 0.83333333333333 0.42476878389546 0.24191346890418 174.967 > 19 25 Lu 0.16666666666667 0.75810211722880 0.24191346890418 174.967 > 19 26 Lu 0.50000000000000 0.75810211722880 0.24191346890418 174.967 > 19 27 Lu 0.83333333333333 0.75810211722880 0.24191346890418 174.967 > 19 28 Lu 0.16666666666667 0.09143545056213 0.74191346890418 174.967 > 19 29 Lu 0.50000000000000 0.09143545056213 0.74191346890418 174.967 > 19 30 Lu 0.83333333333333 0.09143545056213 0.74191346890418 174.967 > 19 31 Lu 0.16666666666667 0.42476878389546 0.74191346890418 174.967 > 19 32 Lu 0.50000000000000 0.42476878389546 0.74191346890418 174.967 > 19 33 Lu 0.83333333333333 0.42476878389546 0.74191346890418 174.967 > 19 34 Lu 0.16666666666667 0.75810211722880 0.74191346890418 174.967 > 19 35 Lu 0.50000000000000 0.75810211722880 0.74191346890418 174.967 > 19 36 Lu 0.83333333333333 0.75810211722880 0.74191346890418 174.967 > 19 37 H 0.16666666666667 0.06615446025541 0.48277435340643 1.008 > 37 38 H 0.50000000000000 0.06615446025541 0.48277435340643 1.008 > 37 39 H 0.83333333333333 0.06615446025541 0.48277435340643 1.008 > 37 40 H 0.16666666666667 0.39948779358874 0.48277435340643 1.008 > 37 41 H 0.50000000000000 0.39948779358874 0.48277435340643 1.008 > 37 42 H 0.83333333333333 0.39948779358874 0.48277435340643 1.008 > 37 43 H 0.16666666666667 0.73282112692207 0.48277435340643 1.008 > 37 44 H 0.50000000000000 0.73282112692207 0.48277435340643 1.008 > 37 45 H 0.83333333333333 0.73282112692207 0.48277435340643 1.008 > 37 46 H 0.16666666666667 0.06615446025541 0.98277435340644 1.008 > 37 47 H 0.50000000000000 0.06615446025541 0.98277435340644 1.008 > 37 48 H 0.83333333333333 0.06615446025541 0.98277435340644 1.008 > 37 49 H 0.16666666666667 0.39948779358874 0.98277435340644 1.008 > 37 50 H 0.50000000000000 0.39948779358874 0.98277435340644 1.008 > 37 51 H 0.83333333333333 0.39948779358874 0.98277435340644 1.008 > 37 52 H 0.16666666666667 0.73282112692207 0.98277435340644 1.008 > 37 53 H 0.50000000000000 0.73282112692207 0.98277435340644 1.008 > 37 54 H 0.83333333333333 0.73282112692207 0.98277435340644 1.008 > 37 55 H 0.00000000000000 0.26717887307793 0.23277435340643 1.008 > 55 56 H 0.33333333333333 0.26717887307793 0.23277435340643 1.008 > 55 57 H 0.66666666666667 0.26717887307793 0.23277435340643 1.008 > 55 58 H 0.00000000000000 0.60051220641126 0.23277435340643 1.008 > 55 59 H 0.33333333333333 0.60051220641126 0.23277435340643 1.008 > 55 60 H 0.66666666666667 0.60051220641126 0.23277435340643 1.008 > 55 61 H 0.00000000000000 0.93384553974459 0.23277435340643 1.008 > 55 62 H 0.33333333333333 0.93384553974459 0.23277435340643 1.008 > 55 63 H 0.66666666666667 0.93384553974459 0.23277435340643 1.008 > 55 64 H 0.00000000000000 0.26717887307793 0.73277435340644 1.008 > 55 65 H 0.33333333333333 0.26717887307793 0.73277435340644 1.008 > 55 66 H 0.66666666666667 0.26717887307793 0.73277435340644 1.008 > 55 67 H 0.00000000000000 0.60051220641126 0.73277435340644 1.008 > 55 68 H 0.33333333333333 0.60051220641126 0.73277435340644 1.008 > 55 69 H 0.66666666666667 0.60051220641126 0.73277435340644 1.008 > 55 70 H 0.00000000000000 0.93384553974459 0.73277435340644 1.008 > 55 71 H 0.33333333333333 0.93384553974459 0.73277435340644 1.008 > 55 72 H 0.66666666666667 0.93384553974459 0.73277435340644 1.008 > 55 73 O 0.16666666666667 0.00581171492159 0.42591363477088 15.999 > 73 74 O 0.50000000000000 0.00581171492159 0.42591363477088 15.999 > 73 75 O 0.83333333333333 0.00581171492159 0.42591363477088 15.999 > 73 76 O 0.16666666666667 0.33914504825492 0.42591363477088 15.999 > 73 77 O 0.50000000000000 0.33914504825492 0.42591363477088 15.999 > 73 78 O 0.83333333333333 0.33914504825492 0.42591363477088 15.999 > 73 79 O 0.16666666666667 0.67247838158825 0.42591363477088 15.999 > 73 80 O 0.50000000000000 0.67247838158825 0.42591363477088 15.999 > 73 81 O 0.83333333333333 0.67247838158825 0.42591363477088 15.999 > 73 82 O 0.16666666666667 0.00581171492159 0.92591363477088 15.999 > 73 83 O 0.50000000000000 0.00581171492159 0.92591363477088 15.999 > 73 84 O 0.83333333333333 0.00581171492159 0.92591363477088 15.999 > 73 85 O 0.16666666666667 0.33914504825492 0.92591363477088 15.999 > 73 86 O 0.50000000000000 0.33914504825492 0.92591363477088 15.999 > 73 87 O 0.83333333333333 0.33914504825492 0.92591363477088 15.999 > 73 88 O 0.16666666666667 0.67247838158825 0.92591363477088 15.999 > 73 89 O 0.50000000000000 0.67247838158825 0.92591363477088 15.999 > 73 90 O 0.83333333333333 0.67247838158825 0.92591363477088 15.999 > 73 91 O 0.00000000000000 0.17348133251416 0.31078654291851 15.999 > 91 92 O 0.33333333333333 0.17348133251416 0.31078654291851 15.999 > 91 93 O 0.66666666666667 0.17348133251416 0.31078654291851 15.999 > 91 94 O 0.00000000000000 0.50681466584750 0.31078654291851 15.999 > 91 95 O 0.33333333333333 0.50681466584750 0.31078654291851 15.999 > 91 96 O 0.66666666666667 0.50681466584750 0.31078654291851 15.999 > 91 97 O 0.00000000000000 0.84014799918083 0.31078654291851 15.999 > 91 98 O 0.33333333333333 0.84014799918083 0.31078654291851 15.999 > 91 99 O 0.66666666666667 0.84014799918083 0.31078654291851 15.999 > 91 100 O 0.00000000000000 0.17348133251416 0.81078654291851 15.999 > 91 101 O 0.33333333333333 0.17348133251416 0.81078654291851 15.999 > 91 102 O 0.66666666666667 0.17348133251416 0.81078654291851 15.999 > 91 103 O 0.00000000000000 0.50681466584750 0.81078654291851 15.999 > 91 104 O 0.33333333333333 0.50681466584750 0.81078654291851 15.999 > 91 105 O 0.66666666666667 0.50681466584750 0.81078654291851 15.999 > 91 106 O 0.00000000000000 0.84014799918083 0.81078654291851 15.999 > 91 107 O 0.33333333333333 0.84014799918083 0.81078654291851 15.999 > 91 108 O 0.66666666666667 0.84014799918083 0.81078654291851 15.999 > 91 109 O 0.00000000000000 0.32752161841175 0.17591363477088 15.999 > 109 110 O 0.33333333333333 0.32752161841175 0.17591363477088 15.999 > 109 111 O 0.66666666666667 0.32752161841175 0.17591363477088 15.999 > 109 112 O 0.00000000000000 0.66085495174508 0.17591363477088 15.999 > 109 113 O 0.33333333333333 0.66085495174508 0.17591363477088 15.999 > 109 114 O 0.66666666666667 0.66085495174508 0.17591363477088 15.999 > 109 115 O 0.00000000000000 0.99418828507841 0.17591363477088 15.999 > 109 116 O 0.33333333333333 0.99418828507841 0.17591363477088 15.999 > 109 117 O 0.66666666666667 0.99418828507841 0.17591363477088 15.999 > 109 118 O 0.00000000000000 0.32752161841175 0.67591363477088 15.999 > 109 119 O 0.33333333333333 0.32752161841175 0.67591363477088 15.999 > 109 120 O 0.66666666666667 0.32752161841175 0.67591363477088 15.999 > 109 121 O 0.00000000000000 0.66085495174508 0.67591363477088 15.999 > 109 122 O 0.33333333333333 0.66085495174508 0.67591363477088 15.999 > 109 123 O 0.66666666666667 0.66085495174508 0.67591363477088 15.999 > 109 124 O 0.00000000000000 0.99418828507841 0.67591363477088 15.999 > 109 125 O 0.33333333333333 0.99418828507841 0.67591363477088 15.999 > 109 126 O 0.66666666666667 0.99418828507841 0.67591363477088 15.999 > 109 127 O 0.16666666666667 0.15985200081917 0.06078654291851 15.999 > 127 128 O 0.50000000000000 0.15985200081917 0.06078654291851 15.999 > 127 129 O 0.83333333333333 0.15985200081917 0.06078654291851 15.999 > 127 130 O 0.16666666666667 0.49318533415250 0.06078654291851 15.999 > 127 131 O 0.50000000000000 0.49318533415250 0.06078654291851 15.999 > 127 132 O 0.83333333333333 0.49318533415250 0.06078654291851 15.999 > 127 133 O 0.16666666666667 0.82651866748584 0.06078654291851 15.999 > 127 134 O 0.50000000000000 0.82651866748584 0.06078654291851 15.999 > 127 135 O 0.83333333333333 0.82651866748584 0.06078654291851 15.999 > 127 136 O 0.16666666666667 0.15985200081917 0.56078654291851 15.999 > 127 137 O 0.50000000000000 0.15985200081917 0.56078654291851 15.999 > 127 138 O 0.83333333333333 0.15985200081917 0.56078654291851 15.999 > 127 139 O 0.16666666666667 0.49318533415250 0.56078654291851 15.999 > 127 140 O 0.50000000000000 0.49318533415250 0.56078654291851 15.999 > 127 141 O 0.83333333333333 0.49318533415250 0.56078654291851 15.999 > 127 142 O 0.16666666666667 0.82651866748584 0.56078654291851 15.999 > 127 143 O 0.50000000000000 0.82651866748584 0.56078654291851 15.999 > 127 144 O 0.83333333333333 0.82651866748584 0.56078654291851 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6961417 0.0000000 0.0000000 0.0000000 3.6170960 0.0000000 0.0000000 0.0000000 3.6702439 -------------------------- Born effective charges -------------------------- 1 Lu 4.0089924 0.0000000 0.0000000 0.0000000 3.3880910 0.1410688 0.0000000 0.1185994 3.7584464 2 Lu 4.0089924 0.0000000 0.0000000 0.0000000 3.3880910 -0.1410688 0.0000000 -0.1185994 3.7584464 3 H 0.2402510 0.0000000 0.0000000 0.0000000 1.3831739 0.7226438 0.0000000 0.6646295 0.7142357 4 H 0.2402510 0.0000000 0.0000000 0.0000000 1.3831739 -0.7226438 0.0000000 -0.6646295 0.7142357 5 O -1.8535096 0.0000000 0.0000000 0.0000000 -2.4374414 0.1609011 0.0000000 0.1644948 -1.9786685 6 O -2.3957339 0.0000000 0.0000000 0.0000000 -2.3338235 -0.3717769 0.0000000 -0.3956563 -2.4940135 7 O -1.8535096 0.0000000 0.0000000 0.0000000 -2.4374414 -0.1609011 0.0000000 -0.1644948 -1.9786685 8 O -2.3957339 0.0000000 0.0000000 0.0000000 -2.3338235 0.3717769 0.0000000 0.3956563 -2.4940135 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 ... [ 15 11 9 ] 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: 0.95, Number of G-points: 301, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/240) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 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 2.622 ( 0.000 0.000 -0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 -0.000) 0.000 7.177 ( 0.000 0.000 0.000) 0.000 7.584 ( 0.000 0.000 0.000) 0.000 7.827 ( 0.000 0.000 -0.000) 0.000 8.926 ( 0.000 0.000 0.000) 0.000 9.862 ( 0.000 0.000 0.000) 0.000 11.405 ( 0.000 0.000 0.000) 0.000 11.822 ( 0.000 0.000 0.000) 0.000 12.018 ( 0.000 0.000 0.000) 0.000 12.145 ( 0.000 0.000 0.000) 0.000 13.617 ( 0.000 0.000 0.000) 0.000 15.055 ( 0.000 0.000 -0.000) 0.000 18.425 ( 0.000 0.000 -0.000) 0.000 30.176 ( 0.000 0.000 -0.000) 0.000 31.014 ( 0.000 0.000 0.000) 0.000 34.759 ( 0.000 0.000 -0.000) 0.000 35.638 ( 0.000 0.000 0.000) 0.000 75.119 ( 0.000 0.000 0.000) 0.000 75.433 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/240) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 26.470 0.000 0.000) 26.470 0.585 ( 28.944 0.000 0.000) 28.944 1.110 ( 55.136 0.000 0.000) 55.136 2.859 ( 22.351 0.000 0.000) 22.351 3.461 ( -0.085 0.000 0.000) 0.085 4.624 ( -2.590 0.000 0.000) 2.590 7.196 ( 1.856 0.000 0.000) 1.856 7.602 ( 1.822 0.000 0.000) 1.822 9.030 ( 9.903 0.000 0.000) 9.903 9.869 ( 0.774 0.000 0.000) 0.774 10.519 ( -1.637 0.000 0.000) 1.637 11.289 ( -9.394 0.000 0.000) 9.394 12.037 ( 1.746 0.000 0.000) 1.746 12.271 ( 10.599 0.000 0.000) 10.599 13.586 ( -2.990 0.000 0.000) 2.990 15.032 ( -2.234 0.000 0.000) 2.234 15.871 ( -1.256 0.000 0.000) 1.256 18.347 ( -7.780 0.000 0.000) 7.780 30.231 ( 5.443 0.000 0.000) 5.443 31.768 ( 1.706 0.000 0.000) 1.706 34.759 ( 0.086 0.000 0.000) 0.086 35.621 ( -1.658 0.000 0.000) 1.658 75.108 ( -1.107 0.000 0.000) 1.107 75.417 ( -1.598 0.000 0.000) 1.598 ======================= Grid point 2 (3/240) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 24.347 0.000 0.000) 24.347 1.142 ( 26.862 0.000 0.000) 26.862 2.176 ( 51.285 0.000 0.000) 51.285 3.425 ( 32.221 0.000 0.000) 32.221 3.467 ( 1.217 0.000 0.000) 1.217 4.551 ( -4.438 0.000 0.000) 4.438 7.246 ( 3.109 0.000 0.000) 3.109 7.655 ( 3.520 0.000 0.000) 3.520 9.278 ( 13.628 0.000 0.000) 13.628 9.898 ( 2.339 0.000 0.000) 2.339 10.480 ( -1.968 0.000 0.000) 1.968 11.114 ( -6.780 0.000 0.000) 6.780 12.079 ( 2.297 0.000 0.000) 2.297 12.498 ( 11.205 0.000 0.000) 11.205 13.506 ( -4.700 0.000 0.000) 4.700 14.968 ( -4.198 0.000 0.000) 4.198 15.835 ( -2.266 0.000 0.000) 2.266 18.123 ( -14.477 0.000 0.000) 14.477 30.387 ( 10.065 0.000 0.000) 10.065 31.815 ( 2.903 0.000 0.000) 2.903 34.763 ( 0.314 0.000 0.000) 0.314 35.573 ( -3.168 0.000 0.000) 3.168 75.077 ( -1.860 0.000 0.000) 1.860 75.372 ( -2.886 0.000 0.000) 2.886 ======================= Grid point 3 (4/240) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 21.627 0.000 0.000) 21.627 1.646 ( 23.589 0.000 0.000) 23.589 3.053 ( 29.816 0.000 0.000) 29.816 3.594 ( 18.230 0.000 0.000) 18.230 4.022 ( 21.732 0.000 0.000) 21.732 4.502 ( 4.347 0.000 0.000) 4.347 7.314 ( 3.646 0.000 0.000) 3.646 7.737 ( 4.456 0.000 0.000) 4.456 9.517 ( 9.481 0.000 0.000) 9.481 9.967 ( 4.679 0.000 0.000) 4.679 10.450 ( -0.888 0.000 0.000) 0.888 11.055 ( 1.078 0.000 0.000) 1.078 12.121 ( 1.776 0.000 0.000) 1.776 12.690 ( 7.491 0.000 0.000) 7.491 13.420 ( -3.245 0.000 0.000) 3.245 14.868 ( -5.826 0.000 0.000) 5.826 15.786 ( -2.570 0.000 0.000) 2.570 17.784 ( -19.227 0.000 0.000) 19.227 30.622 ( 13.250 0.000 0.000) 13.250 31.877 ( 3.178 0.000 0.000) 3.178 34.773 ( 0.779 0.000 0.000) 0.779 35.497 ( -4.402 0.000 0.000) 4.402 75.037 ( -2.040 0.000 0.000) 2.040 75.306 ( -3.673 0.000 0.000) 3.673 ======================= Grid point 4 (5/240) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 19.102 0.000 0.000) 19.102 2.076 ( 19.669 0.000 0.000) 19.669 3.277 ( 1.669 0.000 0.000) 1.669 4.085 ( -8.245 0.000 0.000) 8.245 4.260 ( 39.283 0.000 0.000) 39.283 4.895 ( 27.392 0.000 0.000) 27.392 7.390 ( 3.968 0.000 0.000) 3.968 7.821 ( 3.660 0.000 0.000) 3.660 9.654 ( 5.055 0.000 0.000) 5.055 10.081 ( 6.394 0.000 0.000) 6.394 10.452 ( 1.244 0.000 0.000) 1.244 11.128 ( 4.866 0.000 0.000) 4.866 12.149 ( 1.192 0.000 0.000) 1.192 12.772 ( 0.357 0.000 0.000) 0.357 13.413 ( 3.309 0.000 0.000) 3.309 14.738 ( -7.219 0.000 0.000) 7.219 15.742 ( -1.581 0.000 0.000) 1.581 17.374 ( -21.545 0.000 0.000) 21.545 30.903 ( 14.692 0.000 0.000) 14.692 31.933 ( 2.290 0.000 0.000) 2.290 34.796 ( 1.506 0.000 0.000) 1.506 35.400 ( -5.260 0.000 0.000) 5.260 75.000 ( -1.628 0.000 0.000) 1.628 75.229 ( -3.929 0.000 0.000) 3.929 ======================= Grid point 5 (6/240) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 17.262 0.000 0.000) 17.262 2.428 ( 15.670 0.000 0.000) 15.670 3.268 ( -1.795 0.000 0.000) 1.795 3.864 ( -12.950 0.000 0.000) 12.950 4.987 ( 32.588 0.000 0.000) 32.588 5.404 ( 22.522 0.000 0.000) 22.522 7.474 ( 4.582 0.000 0.000) 4.582 7.869 ( 0.928 0.000 0.000) 0.928 9.754 ( 5.681 0.000 0.000) 5.681 10.198 ( 4.626 0.000 0.000) 4.626 10.510 ( 5.016 0.000 0.000) 5.016 11.197 ( 1.206 0.000 0.000) 1.206 12.175 ( 1.591 0.000 0.000) 1.591 12.715 ( -5.282 0.000 0.000) 5.282 13.548 ( 9.508 0.000 0.000) 9.508 14.582 ( -8.440 0.000 0.000) 8.440 15.734 ( 1.064 0.000 0.000) 1.064 16.943 ( -21.371 0.000 0.000) 21.371 31.195 ( 14.393 0.000 0.000) 14.393 31.960 ( 0.239 0.000 0.000) 0.239 34.835 ( 2.439 0.000 0.000) 2.439 35.291 ( -5.680 0.000 0.000) 5.680 74.976 ( -0.768 0.000 0.000) 0.768 75.152 ( -3.734 0.000 0.000) 3.734 ======================= Grid point 6 (7/240) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 15.923 0.000 0.000) 15.923 2.701 ( 11.866 0.000 0.000) 11.866 3.215 ( -3.510 0.000 0.000) 3.510 3.588 ( -14.573 0.000 0.000) 14.573 5.532 ( 21.795 0.000 0.000) 21.795 5.764 ( 13.286 0.000 0.000) 13.286 7.573 ( 5.313 0.000 0.000) 5.313 7.855 ( -2.320 0.000 0.000) 2.320 9.890 ( 7.791 0.000 0.000) 7.791 10.240 ( -0.547 0.000 0.000) 0.547 10.655 ( 9.061 0.000 0.000) 9.061 11.164 ( -4.390 0.000 0.000) 4.390 12.222 ( 3.352 0.000 0.000) 3.352 12.587 ( -7.198 0.000 0.000) 7.198 13.763 ( 11.486 0.000 0.000) 11.486 14.403 ( -9.472 0.000 0.000) 9.472 15.794 ( 5.195 0.000 0.000) 5.195 16.538 ( -19.012 0.000 0.000) 19.012 31.466 ( 12.592 0.000 0.000) 12.592 31.937 ( -2.743 0.000 0.000) 2.743 34.893 ( 3.465 0.000 0.000) 3.465 35.177 ( -5.650 0.000 0.000) 5.650 74.971 ( 0.316 0.000 0.000) 0.316 75.083 ( -3.199 0.000 0.000) 3.199 ======================= Grid point 7 (8/240) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 10.973 0.000 0.000) 10.973 2.896 ( 7.137 0.000 0.000) 7.137 3.148 ( -1.297 0.000 0.000) 1.297 3.298 ( -13.778 0.000 0.000) 13.778 5.846 ( 9.769 0.000 0.000) 9.769 5.921 ( 2.215 0.000 0.000) 2.215 7.682 ( 5.480 0.000 0.000) 5.480 7.784 ( -4.563 0.000 0.000) 4.563 10.050 ( 7.813 0.000 0.000) 7.813 10.182 ( -5.096 0.000 0.000) 5.096 10.849 ( 9.961 0.000 0.000) 9.961 11.034 ( -8.309 0.000 0.000) 8.309 12.312 ( 5.655 0.000 0.000) 5.655 12.441 ( -7.159 0.000 0.000) 7.159 13.990 ( 11.225 0.000 0.000) 11.225 14.206 ( -10.377 0.000 0.000) 10.377 15.946 ( 10.144 0.000 0.000) 10.144 16.197 ( -15.031 0.000 0.000) 15.031 31.689 ( 9.701 0.000 0.000) 9.701 31.848 ( -6.232 0.000 0.000) 6.232 34.972 ( 4.437 0.000 0.000) 4.437 35.069 ( -5.208 0.000 0.000) 5.208 74.988 ( 1.421 0.000 0.000) 1.421 75.027 ( -2.408 0.000 0.000) 2.408 ======================= Grid point 15 (9/240) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 0.000 26.997 0.000) 26.997 0.692 ( 0.000 35.077 0.000) 35.077 0.919 ( 0.000 46.416 0.000) 46.416 2.616 ( 0.000 -0.615 0.000) 0.615 3.532 ( 0.000 6.771 0.000) 6.771 4.630 ( 0.000 -2.051 0.000) 2.051 7.166 ( 0.000 -1.167 0.000) 1.167 7.857 ( 0.000 3.005 0.000) 3.005 8.921 ( 0.000 -0.441 0.000) 0.441 9.175 ( 0.000 -18.679 0.000) 18.679 10.109 ( 0.000 18.296 0.000) 18.296 11.800 ( 0.000 -2.173 0.000) 2.173 12.010 ( 0.000 -0.746 0.000) 0.746 12.145 ( 0.000 -0.072 0.000) 0.072 13.609 ( 0.000 1.291 0.000) 1.291 14.932 ( 0.000 -6.731 0.000) 6.731 15.132 ( 0.000 3.764 0.000) 3.764 19.133 ( 0.000 -3.360 0.000) 3.360 30.189 ( 0.000 1.321 0.000) 1.321 31.006 ( 0.000 -0.840 0.000) 0.840 35.324 ( 0.000 -0.332 0.000) 0.332 35.636 ( 0.000 -0.207 0.000) 0.207 75.228 ( 0.000 11.129 0.000) 11.129 80.165 ( 0.000 -8.911 0.000) 8.911 ======================= Grid point 16 (10/240) ======================= q-point: ( 0.07 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 20.519 21.135 0.000) 29.457 0.855 ( 15.080 26.377 0.000) 30.383 1.395 ( 41.758 26.517 0.000) 49.466 2.851 ( 22.025 -0.987 0.000) 22.047 3.525 ( -0.403 6.473 0.000) 6.486 4.602 ( -2.656 -2.180 0.000) 3.436 7.180 ( 1.424 -1.624 0.000) 2.160 7.751 ( -3.537 10.153 0.000) 10.752 9.022 ( 10.030 -0.921 0.000) 10.072 9.618 ( 20.863 -35.782 0.000) 41.420 10.137 ( 1.992 7.671 0.000) 7.925 11.575 ( -15.664 9.186 0.000) 18.159 12.024 ( 0.457 -1.126 0.000) 1.216 12.261 ( 11.925 -0.958 0.000) 11.964 13.600 ( -2.315 1.487 0.000) 2.751 15.010 ( -0.817 -3.866 0.000) 3.951 15.385 ( 18.068 -20.089 0.000) 27.019 18.731 ( -26.208 14.635 0.000) 30.018 30.244 ( 5.446 1.331 0.000) 5.606 31.350 ( 19.873 -19.356 0.000) 27.742 35.079 ( -13.931 13.855 0.000) 19.648 35.618 ( -1.727 -0.324 0.000) 1.757 75.212 ( -1.524 10.835 0.000) 10.942 77.695 (-122.601 114.996 0.000) 168.092 ======================= Grid point 17 (11/240) ======================= q-point: ( 0.13 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 19.378 15.869 0.000) 25.047 1.278 ( 22.300 13.129 0.000) 25.878 2.310 ( 46.746 12.875 0.000) 48.486 3.405 ( 30.800 -1.718 0.000) 30.848 3.529 ( 1.998 5.852 0.000) 6.184 4.528 ( -4.541 -2.367 0.000) 5.121 7.221 ( 2.582 -2.615 0.000) 3.675 7.730 ( 0.624 6.698 0.000) 6.727 9.274 ( 13.756 -0.829 0.000) 13.781 9.888 ( 9.443 -13.731 0.000) 16.665 10.161 ( 0.425 -7.347 0.000) 7.360 11.317 ( -9.317 11.543 0.000) 14.834 12.052 ( 2.088 -2.149 0.000) 2.996 12.520 ( 12.719 1.096 0.000) 12.766 13.521 ( -5.058 1.706 0.000) 5.338 14.954 ( -4.201 -1.801 0.000) 4.571 15.606 ( 5.162 -17.722 0.000) 18.459 18.268 ( -21.382 10.171 0.000) 23.677 30.400 ( 10.049 1.324 0.000) 10.136 31.631 ( 9.709 -14.447 0.000) 17.407 34.899 ( -5.156 10.309 0.000) 11.526 35.568 ( -3.241 -0.485 0.000) 3.277 75.172 ( -2.407 9.909 0.000) 10.198 76.219 ( -40.961 68.341 0.000) 79.676 ======================= Grid point 18 (12/240) ======================= q-point: ( 0.20 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 19.007 9.355 0.000) 21.184 1.711 ( 20.891 6.808 0.000) 21.972 3.107 ( 26.005 5.025 0.000) 26.486 3.658 ( 18.975 6.448 0.000) 20.041 4.005 ( 22.331 -1.849 0.000) 22.407 4.469 ( 3.078 -3.338 0.000) 4.540 7.280 ( 3.330 -3.479 0.000) 4.816 7.758 ( 1.934 2.037 0.000) 2.809 9.513 ( 9.384 -0.943 0.000) 9.431 10.054 ( 7.276 6.096 0.000) 9.492 10.175 ( 1.915 -18.337 0.000) 18.437 11.223 ( -0.177 11.513 0.000) 11.515 12.097 ( 2.315 -2.017 0.000) 3.071 12.733 ( 7.985 3.437 0.000) 8.693 13.427 ( -3.544 0.958 0.000) 3.672 14.851 ( -5.968 -1.727 0.000) 6.213 15.650 ( 0.381 -12.225 0.000) 12.231 17.844 ( -21.667 4.931 0.000) 22.220 30.634 ( 13.203 1.266 0.000) 13.264 31.781 ( 5.971 -8.680 0.000) 10.536 34.838 ( -1.515 5.678 0.000) 5.877 35.491 ( -4.481 -0.647 0.000) 4.527 75.120 ( -2.661 8.532 0.000) 8.937 75.679 ( -18.043 33.754 0.000) 38.273 ======================= Grid point 19 (13/240) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 17.517 5.391 0.000) 18.328 2.099 ( 17.935 2.497 0.000) 18.108 3.296 ( 0.851 1.743 0.000) 1.939 4.075 ( -8.206 -1.104 0.000) 8.280 4.302 ( 37.306 4.082 0.000) 37.529 4.842 ( 26.776 -5.288 0.000) 27.293 7.352 ( 3.929 -3.835 0.000) 5.491 7.798 ( 1.828 -2.207 0.000) 2.866 9.645 ( 4.521 -1.250 0.000) 4.690 10.141 ( 1.837 0.964 0.000) 2.075 10.285 ( 8.727 -7.750 0.000) 11.672 11.279 ( 4.417 11.755 0.000) 12.557 12.141 ( 2.069 -0.835 0.000) 2.231 12.812 ( -0.248 3.756 0.000) 3.764 13.420 ( 3.498 0.752 0.000) 3.577 14.720 ( -7.185 -1.801 0.000) 7.407 15.651 ( 0.244 -8.596 0.000) 8.600 17.404 ( -22.429 2.568 0.000) 22.576 30.914 ( 14.595 1.124 0.000) 14.638 31.877 ( 3.713 -5.367 0.000) 6.526 34.827 ( 0.339 2.959 0.000) 2.979 35.393 ( -5.323 -0.796 0.000) 5.382 75.069 ( -2.450 6.927 0.000) 7.348 75.407 ( -10.396 16.852 0.000) 19.800 ======================= Grid point 20 (14/240) ======================= q-point: ( 0.33 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 16.202 2.792 0.000) 16.441 2.422 ( 14.564 -0.408 0.000) 14.570 3.271 ( -2.590 0.182 0.000) 2.597 3.855 ( -12.901 -1.049 0.000) 12.944 4.992 ( 30.805 0.357 0.000) 30.807 5.340 ( 22.041 -6.319 0.000) 22.929 7.437 ( 4.668 -3.772 0.000) 6.002 7.821 ( 0.278 -4.699 0.000) 4.707 9.726 ( 4.282 -2.749 0.000) 5.088 10.159 ( 0.133 -7.159 0.000) 7.160 10.486 ( 11.066 3.132 0.000) 11.501 11.343 ( 1.124 12.227 0.000) 12.278 12.181 ( 2.157 0.561 0.000) 2.229 12.745 ( -5.645 2.898 0.000) 6.345 13.557 ( 9.518 0.961 0.000) 9.567 14.568 ( -8.000 -1.335 0.000) 8.111 15.675 ( 2.557 -5.575 0.000) 6.133 16.961 ( -21.746 1.621 0.000) 21.807 31.203 ( 14.225 0.858 0.000) 14.251 31.926 ( 1.107 -3.344 0.000) 3.522 34.849 ( 1.761 1.331 0.000) 2.208 35.282 ( -5.705 -0.887 0.000) 5.774 75.026 ( -1.692 5.133 0.000) 5.405 75.240 ( -6.770 8.447 0.000) 10.826 ======================= Grid point 21 (15/240) ======================= q-point: ( 0.40 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 15.104 0.913 0.000) 15.131 2.679 ( 11.294 -2.191 0.000) 11.505 3.203 ( -4.098 -1.220 0.000) 4.275 3.580 ( -14.463 -0.889 0.000) 14.490 5.503 ( 20.312 -2.859 0.000) 20.512 5.694 ( 13.151 -6.928 0.000) 14.864 7.538 ( 5.334 -3.655 0.000) 6.465 7.804 ( -2.080 -5.092 0.000) 5.501 9.828 ( 6.003 -5.543 0.000) 8.171 10.141 ( -2.144 -9.679 0.000) 9.913 10.717 ( 12.012 7.454 0.000) 14.137 11.307 ( -4.746 12.273 0.000) 13.159 12.236 ( 3.547 1.274 0.000) 3.769 12.611 ( -7.390 2.436 0.000) 7.781 13.772 ( 11.551 1.000 0.000) 11.594 14.401 ( -8.857 -0.227 0.000) 8.860 15.763 ( 6.399 -2.986 0.000) 7.061 16.550 ( -19.351 1.073 0.000) 19.381 31.470 ( 12.343 0.440 0.000) 12.350 31.917 ( -2.139 -1.961 0.000) 2.902 34.897 ( 3.050 0.307 0.000) 3.065 35.169 ( -5.612 -0.873 0.000) 5.680 75.005 ( -0.368 3.477 0.000) 3.497 75.129 ( -4.568 4.431 0.000) 6.364 ======================= Grid point 22 (16/240) ======================= q-point: ( 0.47 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 7.729 -2.598 0.000) 8.154 2.875 ( 8.965 -1.391 0.000) 9.073 3.133 ( -0.656 -1.447 0.000) 1.589 3.294 ( -13.660 -0.575 0.000) 13.672 5.793 ( 8.748 -5.307 0.000) 10.232 5.853 ( 2.634 -6.682 0.000) 7.183 7.645 ( 5.285 -3.820 0.000) 6.520 7.741 ( -4.149 -4.424 0.000) 6.065 9.956 ( 6.462 -8.313 0.000) 10.529 10.071 ( -4.835 -9.880 0.000) 11.000 10.954 ( 11.542 9.860 0.000) 15.180 11.164 ( -9.238 11.450 0.000) 14.712 12.329 ( 5.813 1.638 0.000) 6.039 12.462 ( -7.363 2.034 0.000) 7.639 14.001 ( 11.251 1.092 0.000) 11.303 14.214 ( -10.053 0.772 0.000) 10.082 15.935 ( 11.020 -0.996 0.000) 11.065 16.201 ( -15.582 0.318 0.000) 15.585 31.687 ( 9.359 -0.152 0.000) 9.360 31.838 ( -5.782 -0.937 0.000) 5.857 34.969 ( 4.190 -0.335 0.000) 4.203 35.062 ( -5.080 -0.706 0.000) 5.129 75.014 ( 1.249 2.556 0.000) 2.845 75.055 ( -2.879 2.765 0.000) 3.992 ======================= Grid point 30 (17/240) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 0.000 23.995 0.000) 23.995 1.352 ( 0.000 32.737 0.000) 32.737 1.783 ( 0.000 42.007 0.000) 42.007 2.597 ( 0.000 -1.385 0.000) 1.385 3.696 ( 0.000 9.128 0.000) 9.128 4.577 ( 0.000 -3.090 0.000) 3.090 7.128 ( 0.000 -2.816 0.000) 2.816 7.939 ( 0.000 5.261 0.000) 5.261 8.807 ( 0.000 -18.405 0.000) 18.405 8.909 ( 0.000 -0.844 0.000) 0.844 10.474 ( 0.000 18.700 0.000) 18.700 11.744 ( 0.000 -3.370 0.000) 3.370 11.991 ( 0.000 -1.220 0.000) 1.220 12.140 ( 0.000 -0.471 0.000) 0.471 13.646 ( 0.000 2.490 0.000) 2.490 14.783 ( 0.000 -8.573 0.000) 8.573 15.195 ( 0.000 2.808 0.000) 2.808 19.044 ( 0.000 -5.661 0.000) 5.661 30.226 ( 0.000 2.403 0.000) 2.403 30.982 ( 0.000 -1.592 0.000) 1.592 35.315 ( 0.000 -0.551 0.000) 0.551 35.630 ( 0.000 -0.365 0.000) 0.365 75.545 ( 0.000 21.281 0.000) 21.281 79.907 ( 0.000 -17.564 0.000) 17.564 ======================= Grid point 31 (18/240) ======================= q-point: ( 0.07 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 17.867 21.752 0.000) 28.149 1.417 ( 6.496 29.692 0.000) 30.394 2.003 ( 22.636 33.416 0.000) 40.361 2.821 ( 21.135 -2.025 0.000) 21.232 3.686 ( -0.824 9.121 0.000) 9.158 4.545 ( -3.058 -3.422 0.000) 4.589 7.131 ( 0.396 -3.438 0.000) 3.460 7.923 ( -1.709 7.762 0.000) 7.947 8.918 ( 10.117 -16.071 0.000) 18.990 9.111 ( 17.631 -9.579 0.000) 20.065 10.426 ( -4.034 17.774 0.000) 18.226 11.649 ( -8.762 0.385 0.000) 8.770 11.997 ( 0.010 -1.586 0.000) 1.586 12.237 ( 10.874 -1.364 0.000) 10.959 13.644 ( -1.269 2.987 0.000) 3.246 14.851 ( 4.195 -10.849 0.000) 11.631 15.227 ( 3.475 -1.235 0.000) 3.688 18.836 ( -18.542 -0.639 0.000) 18.553 30.281 ( 5.459 2.411 0.000) 5.968 31.124 ( 12.142 -6.779 0.000) 13.906 35.223 ( -7.798 3.317 0.000) 8.474 35.610 ( -1.966 -0.507 0.000) 2.030 75.520 ( -2.451 20.599 0.000) 20.745 78.895 ( -81.146 22.874 0.000) 84.308 ======================= Grid point 32 (19/240) ======================= q-point: ( 0.13 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 12.180 21.476 0.000) 24.689 1.611 ( 14.810 20.862 0.000) 25.585 2.619 ( 35.520 17.467 0.000) 39.583 3.358 ( 30.725 -3.142 0.000) 30.885 3.680 ( 1.001 9.052 0.000) 9.107 4.462 ( -5.118 -4.254 0.000) 6.655 7.147 ( 1.258 -4.886 0.000) 5.045 7.873 ( -3.115 7.237 0.000) 7.879 9.165 ( 13.486 -14.693 0.000) 19.944 9.494 ( 18.927 -11.490 0.000) 22.142 10.348 ( -3.094 16.317 0.000) 16.608 11.472 ( -7.077 4.907 0.000) 8.612 12.012 ( 1.552 -1.926 0.000) 2.474 12.513 ( 15.045 -1.748 0.000) 15.146 13.578 ( -5.078 4.115 0.000) 6.536 14.873 ( -1.914 -7.132 0.000) 7.384 15.319 ( 4.680 -10.169 0.000) 11.194 18.402 ( -23.592 3.166 0.000) 23.804 30.437 ( 10.018 2.411 0.000) 10.304 31.379 ( 12.266 -10.579 0.000) 16.198 35.066 ( -7.107 6.293 0.000) 9.492 35.555 ( -3.501 -0.861 0.000) 3.605 75.452 ( -4.198 18.629 0.000) 19.096 77.380 ( -63.944 43.918 0.000) 77.573 ======================= Grid point 33 (20/240) ======================= q-point: ( 0.20 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 13.107 15.427 0.000) 20.244 1.909 ( 14.523 13.423 0.000) 19.776 3.216 ( 17.888 5.411 0.000) 18.689 3.828 ( 19.068 10.156 0.000) 21.604 3.951 ( 24.244 -3.334 0.000) 24.472 4.375 ( -0.180 -6.184 0.000) 6.186 7.183 ( 2.381 -6.409 0.000) 6.837 7.807 ( -3.285 2.784 0.000) 4.306 9.411 ( 10.440 -12.167 0.000) 16.032 9.812 ( 12.003 -9.320 0.000) 15.196 10.330 ( 2.026 16.117 0.000) 16.244 11.412 ( 1.323 7.686 0.000) 7.799 12.055 ( 2.675 -2.283 0.000) 3.517 12.782 ( 10.798 1.042 0.000) 10.848 13.471 ( -4.596 3.817 0.000) 5.974 14.796 ( -5.454 -4.237 0.000) 6.906 15.392 ( 2.886 -12.684 0.000) 13.008 17.925 ( -24.064 2.742 0.000) 24.219 30.670 ( 13.077 2.324 0.000) 13.282 31.594 ( 9.269 -9.600 0.000) 13.344 34.953 ( -4.203 5.510 0.000) 6.930 35.472 ( -4.722 -1.220 0.000) 4.877 75.359 ( -4.995 15.673 0.000) 16.449 76.384 ( -38.009 33.788 0.000) 50.856 ======================= Grid point 34 (21/240) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 13.341 9.630 0.000) 16.454 2.183 ( 12.956 6.459 0.000) 14.477 3.332 ( -1.072 1.554 0.000) 1.888 4.036 ( -8.322 -3.190 0.000) 8.913 4.402 ( 32.063 5.678 0.000) 32.561 4.702 ( 25.695 -8.566 0.000) 27.085 7.242 ( 3.621 -7.457 0.000) 8.289 7.749 ( -2.510 -2.431 0.000) 3.494 9.567 ( 5.384 -8.224 0.000) 9.829 9.954 ( 2.904 -8.795 0.000) 9.262 10.444 ( 9.063 14.853 0.000) 17.400 11.499 ( 6.017 10.237 0.000) 11.874 12.117 ( 3.471 -1.763 0.000) 3.893 12.895 ( -0.020 4.122 0.000) 4.123 13.450 ( 3.459 2.593 0.000) 4.323 14.670 ( -6.876 -3.264 0.000) 7.611 15.451 ( 3.506 -10.864 0.000) 11.416 17.450 ( -23.600 1.735 0.000) 23.664 30.945 ( 14.318 2.071 0.000) 14.467 31.748 ( 6.253 -7.323 0.000) 9.629 34.895 ( -1.736 3.645 0.000) 4.037 35.370 ( -5.500 -1.508 0.000) 5.703 75.259 ( -4.972 12.268 0.000) 13.237 75.795 ( -22.577 20.729 0.000) 30.650 ======================= Grid point 35 (22/240) ======================= q-point: ( 0.33 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 13.130 5.044 0.000) 14.065 2.422 ( 11.009 0.695 0.000) 11.031 3.269 ( -4.562 -0.684 0.000) 4.613 3.815 ( -12.777 -3.336 0.000) 13.206 4.995 ( 26.317 -0.222 0.000) 26.318 5.179 ( 21.036 -9.601 0.000) 23.123 7.326 ( 4.773 -7.819 0.000) 9.161 7.707 ( -1.758 -6.262 0.000) 6.504 9.642 ( 2.825 -6.309 0.000) 6.913 9.968 ( -0.847 -9.243 0.000) 9.282 10.663 ( 12.371 12.981 0.000) 17.932 11.591 ( 2.173 12.366 0.000) 12.556 12.187 ( 3.527 -0.262 0.000) 3.537 12.818 ( -6.299 4.294 0.000) 7.623 13.590 ( 9.621 2.624 0.000) 9.972 14.532 ( -6.910 -2.372 0.000) 7.306 15.544 ( 5.969 -7.296 0.000) 9.427 16.992 ( -22.221 1.286 0.000) 22.258 31.227 ( 13.752 1.586 0.000) 13.843 31.841 ( 3.019 -5.101 0.000) 5.928 34.881 ( 0.278 1.873 0.000) 1.894 35.257 ( -5.757 -1.655 0.000) 5.990 75.166 ( -4.152 8.947 0.000) 9.863 75.444 ( -13.450 11.528 0.000) 17.714 ======================= Grid point 36 (23/240) ======================= q-point: ( 0.40 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 9.329 -3.457 0.000) 9.949 2.629 ( 12.380 1.281 0.000) 12.446 3.166 ( -5.403 -2.648 0.000) 6.017 3.545 ( -14.042 -2.927 0.000) 14.344 5.425 ( 16.688 -5.004 0.000) 17.422 5.519 ( 12.877 -10.328 0.000) 16.507 7.429 ( 5.368 -7.761 0.000) 9.436 7.671 ( -2.077 -7.918 0.000) 8.186 9.700 ( 3.277 -7.338 0.000) 8.037 9.931 ( -2.735 -10.269 0.000) 10.627 10.921 ( 13.309 12.461 0.000) 18.231 11.566 ( -4.788 13.317 0.000) 14.151 12.262 ( 4.299 1.112 0.000) 4.441 12.674 ( -7.871 3.725 0.000) 8.708 13.805 ( 11.544 2.582 0.000) 11.829 14.393 ( -7.283 -0.694 0.000) 7.316 15.694 ( 9.264 -3.628 0.000) 9.949 16.573 ( -19.811 1.125 0.000) 19.843 31.482 ( 11.644 0.826 0.000) 11.674 31.865 ( -0.648 -3.180 0.000) 3.245 34.904 ( 2.022 0.460 0.000) 2.074 35.144 ( -5.479 -1.586 0.000) 5.704 75.101 ( -2.265 6.113 0.000) 6.519 75.238 ( -7.704 6.346 0.000) 9.981 ======================= Grid point 37 (24/240) ======================= q-point: ( 0.47 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 6.829 -5.469 0.000) 8.749 2.832 ( 5.159 -3.418 0.000) 6.189 3.097 ( 1.393 -2.149 0.000) 2.561 3.271 ( -12.983 -1.917 0.000) 13.123 5.655 ( 6.428 -8.395 0.000) 10.573 5.683 ( 3.522 -10.058 0.000) 10.657 7.533 ( 4.904 -7.784 0.000) 9.200 7.617 ( -3.479 -8.034 0.000) 8.755 9.776 ( 4.283 -9.330 0.000) 10.266 9.862 ( -4.091 -10.482 0.000) 11.253 11.182 ( 12.680 12.649 0.000) 17.911 11.413 ( -10.101 13.119 0.000) 16.557 12.368 ( 6.459 2.198 0.000) 6.823 12.514 ( -7.954 3.081 0.000) 8.530 14.033 ( 10.969 2.162 0.000) 11.180 14.232 ( -9.003 1.078 0.000) 9.067 15.915 ( 12.962 -0.884 0.000) 12.992 16.209 ( -16.605 0.609 0.000) 16.616 31.683 ( 8.424 -0.224 0.000) 8.427 31.813 ( -4.593 -1.559 0.000) 4.850 34.960 ( 3.522 -0.570 0.000) 3.568 35.042 ( -4.706 -1.240 0.000) 4.867 75.083 ( 0.560 4.338 0.000) 4.374 75.125 ( -3.803 4.238 0.000) 5.694 ======================= Grid point 45 (25/240) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 0.000 19.590 0.000) 19.590 1.954 ( 0.000 29.118 0.000) 29.118 2.527 ( 0.000 34.005 0.000) 34.005 2.561 ( 0.000 -2.404 0.000) 2.404 3.844 ( 0.000 5.120 0.000) 5.120 4.525 ( 0.000 -1.809 0.000) 1.809 7.058 ( 0.000 -4.155 0.000) 4.155 8.052 ( 0.000 6.099 0.000) 6.099 8.477 ( 0.000 -15.276 0.000) 15.276 8.889 ( 0.000 -1.142 0.000) 1.142 10.825 ( 0.000 17.349 0.000) 17.349 11.677 ( 0.000 -3.409 0.000) 3.409 11.961 ( 0.000 -1.928 0.000) 1.928 12.126 ( 0.000 -0.870 0.000) 0.870 13.707 ( 0.000 3.780 0.000) 3.780 14.601 ( 0.000 -9.992 0.000) 9.992 15.242 ( 0.000 2.004 0.000) 2.004 18.925 ( 0.000 -6.181 0.000) 6.181 30.279 ( 0.000 2.963 0.000) 2.963 30.945 ( 0.000 -2.078 0.000) 2.078 35.304 ( 0.000 -0.594 0.000) 0.594 35.622 ( 0.000 -0.417 0.000) 0.417 76.041 ( 0.000 29.375 0.000) 29.375 79.489 ( 0.000 -25.349 0.000) 25.349 ======================= Grid point 46 (26/240) ======================= q-point: ( 0.07 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 17.276 18.576 0.000) 25.368 1.977 ( 2.457 27.559 0.000) 27.668 2.621 ( 10.012 28.812 0.000) 30.502 2.774 ( 20.160 -2.664 0.000) 20.335 3.838 ( -0.423 5.534 0.000) 5.550 4.486 ( -3.827 -2.176 0.000) 4.402 7.051 ( -0.663 -4.640 0.000) 4.687 8.060 ( -0.775 6.257 0.000) 6.305 8.556 ( 8.752 -16.866 0.000) 19.002 9.055 ( 15.365 -0.956 0.000) 15.395 10.777 ( -4.225 17.804 0.000) 18.298 11.628 ( -4.863 -2.094 0.000) 5.294 11.961 ( 0.027 -2.174 0.000) 2.174 12.211 ( 9.095 -1.259 0.000) 9.182 13.717 ( 0.073 4.563 0.000) 4.564 14.631 ( 2.629 -11.584 0.000) 11.879 15.231 ( -1.080 0.823 0.000) 1.358 18.778 ( -14.072 -4.362 0.000) 14.732 30.335 ( 5.482 2.983 0.000) 6.241 31.027 ( 7.611 -3.884 0.000) 8.545 35.257 ( -4.359 0.751 0.000) 4.423 35.599 ( -2.269 -0.566 0.000) 2.339 75.997 ( -4.267 28.142 0.000) 28.464 78.969 ( -47.018 -10.021 0.000) 48.074 ======================= Grid point 47 (27/240) ======================= q-point: ( 0.13 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 12.482 19.610 0.000) 23.246 2.061 ( 6.538 23.597 0.000) 24.486 2.938 ( 20.534 14.078 0.000) 24.896 3.290 ( 29.778 -3.445 0.000) 29.977 3.845 ( 2.118 6.673 0.000) 7.001 4.382 ( -6.327 -3.084 0.000) 7.038 7.039 ( -0.383 -5.987 0.000) 5.999 7.992 ( -5.663 4.554 0.000) 7.267 8.809 ( 15.273 -16.899 0.000) 22.779 9.426 ( 19.796 -0.079 0.000) 19.797 10.692 ( -3.394 18.227 0.000) 18.541 11.525 ( -3.872 0.858 0.000) 3.966 11.971 ( 1.067 -2.404 0.000) 2.630 12.467 ( 15.433 -2.492 0.000) 15.633 13.678 ( -4.082 6.161 0.000) 7.390 14.682 ( 1.786 -11.743 0.000) 11.878 15.204 ( -1.311 -2.770 0.000) 3.065 18.409 ( -21.842 -1.653 0.000) 21.904 30.491 ( 10.002 3.015 0.000) 10.447 31.216 ( 10.663 -6.557 0.000) 12.518 35.150 ( -5.825 2.835 0.000) 6.479 35.536 ( -3.955 -1.017 0.000) 4.084 75.878 ( -7.481 24.749 0.000) 25.855 77.888 ( -55.868 10.429 0.000) 56.833 ======================= Grid point 48 (28/240) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 7.362 16.729 0.000) 18.277 2.226 ( 7.938 18.683 0.000) 20.300 3.288 ( 10.280 1.283 0.000) 10.360 3.875 ( 24.280 -3.059 0.000) 24.472 4.006 ( 17.109 3.706 0.000) 17.506 4.265 ( -2.488 -2.304 0.000) 3.391 7.041 ( 0.681 -7.897 0.000) 7.926 7.858 ( -7.306 2.179 0.000) 7.624 9.112 ( 14.200 -15.013 0.000) 20.665 9.757 ( 11.748 0.482 0.000) 11.758 10.671 ( 1.762 18.216 0.000) 18.301 11.521 ( 4.003 3.562 0.000) 5.358 12.005 ( 2.337 -2.936 0.000) 3.753 12.773 ( 13.923 -1.500 0.000) 14.004 13.574 ( -5.379 6.560 0.000) 8.483 14.679 ( -2.325 -7.719 0.000) 8.062 15.196 ( 1.047 -7.155 0.000) 7.231 17.945 ( -24.216 -0.499 0.000) 24.221 30.722 ( 12.917 2.951 0.000) 13.250 31.427 ( 10.159 -7.409 0.000) 12.574 35.041 ( -4.929 3.536 0.000) 6.066 35.445 ( -5.130 -1.551 0.000) 5.360 75.710 ( -9.082 19.997 0.000) 21.963 76.879 ( -44.214 16.404 0.000) 47.159 ======================= Grid point 49 (29/240) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 7.783 10.891 0.000) 13.386 2.363 ( 6.170 12.267 0.000) 13.731 3.338 ( -2.802 -1.283 0.000) 3.081 3.940 ( -9.204 -7.009 0.000) 11.569 4.494 ( 25.901 0.997 0.000) 25.920 4.548 ( 24.599 -3.998 0.000) 24.921 7.070 ( 2.317 -9.939 0.000) 10.205 7.718 ( -6.458 -0.616 0.000) 6.487 9.350 ( 9.405 -11.884 0.000) 15.155 9.878 ( 1.261 -0.781 0.000) 1.483 10.763 ( 7.089 17.179 0.000) 18.584 11.664 ( 8.854 6.540 0.000) 11.008 12.067 ( 3.986 -3.351 0.000) 5.208 12.953 ( 2.597 1.745 0.000) 3.129 13.527 ( 2.354 5.304 0.000) 5.803 14.595 ( -5.630 -4.417 0.000) 7.157 15.262 ( 5.634 -8.116 0.000) 9.880 17.464 ( -23.821 -0.237 0.000) 23.823 30.992 ( 13.923 2.668 0.000) 14.177 31.610 ( 7.991 -6.665 0.000) 10.405 34.960 ( -3.140 2.953 0.000) 4.311 35.336 ( -5.761 -1.959 0.000) 6.085 75.527 ( -9.086 14.901 0.000) 17.453 76.140 ( -30.436 13.648 0.000) 33.356 ======================= Grid point 50 (30/240) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 5.708 3.397 0.000) 6.642 2.494 ( 7.656 6.805 0.000) 10.243 3.237 ( -6.572 -2.668 0.000) 7.093 3.715 ( -12.548 -7.209 0.000) 14.471 4.973 ( 21.336 -3.091 0.000) 21.559 5.002 ( 19.873 -6.809 0.000) 21.007 7.135 ( 4.222 -11.498 0.000) 12.249 7.607 ( -4.717 -3.704 0.000) 5.997 9.487 ( 4.691 -8.657 0.000) 9.846 9.851 ( -3.111 -3.328 0.000) 4.556 10.941 ( 10.572 14.966 0.000) 18.323 11.804 ( 3.960 9.247 0.000) 10.059 12.160 ( 5.093 -2.716 0.000) 5.772 12.895 ( -6.528 3.318 0.000) 7.323 13.662 ( 9.718 4.749 0.000) 10.816 14.479 ( -5.610 -2.963 0.000) 6.344 15.415 ( 9.578 -5.539 0.000) 11.064 17.006 ( -22.048 0.133 0.000) 22.048 31.263 ( 13.060 2.071 0.000) 13.223 31.739 ( 4.885 -5.167 0.000) 7.111 34.917 ( -1.153 1.790 0.000) 2.130 35.220 ( -5.788 -2.120 0.000) 6.164 75.358 ( -7.702 10.360 0.000) 12.910 75.651 ( -19.209 9.051 0.000) 21.235 ======================= Grid point 51 (31/240) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 5.062 -3.012 0.000) 5.890 2.652 ( 7.454 0.912 0.000) 7.509 3.102 ( -6.161 -3.708 0.000) 7.191 3.459 ( -12.875 -6.070 0.000) 14.234 5.318 ( 12.978 -5.878 0.000) 14.247 5.324 ( 12.416 -8.932 0.000) 15.295 7.234 ( 5.534 -11.950 0.000) 13.169 7.524 ( -3.830 -6.748 0.000) 7.759 9.556 ( 2.833 -6.964 0.000) 7.518 9.775 ( -4.195 -5.759 0.000) 7.124 11.172 ( 12.382 12.963 0.000) 17.926 11.800 ( -4.321 10.499 0.000) 11.353 12.267 ( 5.906 -0.803 0.000) 5.960 12.742 ( -8.445 2.901 0.000) 8.929 13.874 ( 10.979 4.353 0.000) 11.811 14.373 ( -5.345 -1.340 0.000) 5.511 15.636 ( 12.457 -2.187 0.000) 12.647 16.591 ( -19.629 0.756 0.000) 19.644 31.501 ( 10.637 1.121 0.000) 10.695 31.800 ( 1.111 -3.431 0.000) 3.606 34.914 ( 0.804 0.524 0.000) 0.959 35.109 ( -5.218 -1.961 0.000) 5.574 75.230 ( -4.898 6.883 0.000) 8.448 75.357 ( -10.733 5.568 0.000) 12.092 ======================= Grid point 52 (32/240) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 5.345 -7.081 0.000) 8.872 2.737 ( -0.552 -6.322 0.000) 6.346 3.056 ( 3.425 -1.979 0.000) 3.956 3.216 ( -11.025 -3.642 0.000) 11.611 5.488 ( 4.357 -8.453 0.000) 9.510 5.491 ( 4.099 -8.956 0.000) 9.849 7.345 ( 5.463 -11.148 0.000) 12.414 7.444 ( -4.415 -9.334 0.000) 10.325 9.616 ( 3.341 -6.872 0.000) 7.641 9.691 ( -4.142 -6.897 0.000) 8.046 11.422 ( 12.376 11.683 0.000) 17.019 11.650 ( -10.123 10.995 0.000) 14.945 12.402 ( 7.718 1.030 0.000) 7.786 12.568 ( -8.755 2.184 0.000) 9.023 14.083 ( 9.721 2.892 0.000) 10.142 14.251 ( -7.167 0.802 0.000) 7.212 15.907 ( 14.835 0.197 0.000) 14.836 16.225 ( -17.148 1.048 0.000) 17.180 31.679 ( 7.119 -0.162 0.000) 7.121 31.781 ( -3.033 -1.713 0.000) 3.484 34.948 ( 2.604 -0.599 0.000) 2.672 35.016 ( -4.120 -1.449 0.000) 4.367 75.173 ( -0.678 4.691 0.000) 4.739 75.209 ( -4.451 4.128 0.000) 6.071 ======================= Grid point 60 (33/240) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 0.000 14.091 0.000) 14.091 2.472 ( 0.000 23.801 0.000) 23.801 2.503 ( 0.000 -3.406 0.000) 3.406 3.064 ( 0.000 19.870 0.000) 19.870 3.888 ( 0.000 0.365 0.000) 0.365 4.511 ( 0.000 -0.069 0.000) 0.069 6.977 ( 0.000 -3.833 0.000) 3.833 8.163 ( 0.000 5.036 0.000) 5.036 8.226 ( 0.000 -10.353 0.000) 10.353 8.866 ( 0.000 -1.142 0.000) 1.142 11.136 ( 0.000 14.262 0.000) 14.262 11.618 ( 0.000 -2.481 0.000) 2.481 11.912 ( 0.000 -3.174 0.000) 3.174 12.109 ( 0.000 -0.861 0.000) 0.861 13.794 ( 0.000 5.118 0.000) 5.118 14.404 ( 0.000 -10.023 0.000) 10.023 15.273 ( 0.000 1.228 0.000) 1.228 18.816 ( 0.000 -4.743 0.000) 4.743 30.335 ( 0.000 2.634 0.000) 2.634 30.905 ( 0.000 -1.956 0.000) 1.956 35.293 ( 0.000 -0.452 0.000) 0.452 35.615 ( 0.000 -0.329 0.000) 0.329 76.662 ( 0.000 33.844 0.000) 33.844 78.938 ( 0.000 -30.783 0.000) 30.783 ======================= Grid point 61 (34/240) ======================= q-point: ( 0.07 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 17.010 13.488 0.000) 21.709 2.469 ( 0.399 22.487 0.000) 22.490 2.711 ( 18.875 -3.144 0.000) 19.135 3.083 ( 2.407 17.022 0.000) 17.191 3.886 ( -0.131 0.033 0.000) 0.135 4.472 ( -3.713 0.517 0.000) 3.748 6.962 ( -1.417 -4.114 0.000) 4.351 8.134 ( -3.649 -0.652 0.000) 3.707 8.320 ( 9.888 -5.402 0.000) 11.267 9.038 ( 16.100 -0.821 0.000) 16.120 11.100 ( -3.344 14.972 0.000) 15.340 11.579 ( -3.626 -2.776 0.000) 4.566 11.911 ( 0.045 -3.004 0.000) 3.004 12.190 ( 8.306 -0.833 0.000) 8.347 13.822 ( 1.775 6.296 0.000) 6.541 14.406 ( 0.632 -11.394 0.000) 11.411 15.247 ( -2.597 0.741 0.000) 2.701 18.692 ( -12.086 -4.014 0.000) 12.735 30.391 ( 5.538 2.673 0.000) 6.149 30.963 ( 5.638 -2.686 0.000) 6.245 35.264 ( -2.860 0.088 0.000) 2.862 35.589 ( -2.556 -0.450 0.000) 2.595 76.589 ( -7.209 31.977 0.000) 32.780 78.625 ( -29.632 -23.498 0.000) 37.818 ======================= Grid point 62 (35/240) ======================= q-point: ( 0.13 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 14.937 15.527 0.000) 21.546 2.495 ( 2.895 20.418 0.000) 20.623 3.089 ( 10.939 -0.280 0.000) 10.942 3.278 ( 24.036 3.594 0.000) 24.303 3.888 ( 0.501 -2.371 0.000) 2.423 4.380 ( -4.774 2.866 0.000) 5.568 6.928 ( -1.900 -5.075 0.000) 5.419 8.031 ( -6.475 -0.706 0.000) 6.514 8.580 ( 15.134 -6.477 0.000) 16.462 9.431 ( 21.039 0.286 0.000) 21.041 11.028 ( -3.061 15.748 0.000) 16.043 11.512 ( -1.894 -2.182 0.000) 2.890 11.919 ( 0.834 -2.833 0.000) 2.953 12.428 ( 14.849 -1.452 0.000) 14.920 13.814 ( -3.244 7.708 0.000) 8.363 14.446 ( 3.390 -12.084 0.000) 12.551 15.176 ( -4.164 -0.589 0.000) 4.206 18.363 ( -20.223 -2.647 0.000) 20.396 30.549 ( 10.046 2.763 0.000) 10.419 31.114 ( 9.086 -4.080 0.000) 9.960 35.188 ( -4.532 1.194 0.000) 4.687 35.518 ( -4.488 -0.846 0.000) 4.567 76.388 ( -12.481 27.050 0.000) 29.790 77.874 ( -42.660 -9.704 0.000) 43.750 ======================= Grid point 63 (36/240) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 2.933 15.984 0.000) 16.251 2.598 ( 4.351 18.792 0.000) 19.289 3.249 ( 5.668 -5.209 0.000) 7.698 3.834 ( 20.431 -1.591 0.000) 20.493 3.905 ( 7.279 -9.956 0.000) 12.333 4.349 ( 4.429 7.197 0.000) 8.451 6.893 ( -1.362 -6.749 0.000) 6.885 7.884 ( -8.028 0.502 0.000) 8.043 8.888 ( 15.126 -7.790 0.000) 17.014 9.776 ( 11.664 1.092 0.000) 11.715 11.010 ( 1.714 16.120 0.000) 16.211 11.544 ( 5.830 -1.405 0.000) 5.997 11.947 ( 2.045 -2.694 0.000) 3.382 12.742 ( 15.375 -1.460 0.000) 15.444 13.710 ( -6.051 6.957 0.000) 9.221 14.513 ( 2.310 -8.630 0.000) 8.934 15.106 ( -1.844 -2.580 0.000) 3.172 17.920 ( -23.578 -1.702 0.000) 23.639 30.779 ( 12.811 2.796 0.000) 13.112 31.307 ( 9.939 -4.939 0.000) 11.098 35.094 ( -4.690 1.963 0.000) 5.084 35.415 ( -5.654 -1.397 0.000) 5.824 76.112 ( -14.849 20.622 0.000) 25.412 77.029 ( -40.462 -0.032 0.000) 40.462 ======================= Grid point 64 (37/240) ======================= q-point: ( 0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 2.067 11.491 0.000) 11.675 2.632 ( -0.059 14.491 0.000) 14.491 3.276 ( -2.837 -4.949 0.000) 5.705 3.755 ( -9.638 -11.811 0.000) 15.244 4.419 ( 25.815 -3.155 0.000) 26.007 4.588 ( 17.299 2.624 0.000) 17.497 6.881 ( 0.286 -8.769 0.000) 8.773 7.721 ( -8.217 0.647 0.000) 8.242 9.158 ( 11.635 -7.385 0.000) 13.781 9.878 ( -0.444 0.323 0.000) 0.549 11.087 ( 5.518 15.671 0.000) 16.614 11.733 ( 11.629 -0.373 0.000) 11.635 12.003 ( 3.677 -2.317 0.000) 4.346 12.968 ( 5.375 0.120 0.000) 5.377 13.640 ( 0.975 5.673 0.000) 5.756 14.506 ( -3.080 -4.449 0.000) 5.411 15.145 ( 6.160 -3.958 0.000) 7.322 17.448 ( -23.402 -1.161 0.000) 23.431 31.045 ( 13.536 2.616 0.000) 13.786 31.496 ( 8.794 -4.875 0.000) 10.055 35.008 ( -3.733 2.007 0.000) 4.238 35.298 ( -6.073 -1.847 0.000) 6.348 75.816 ( -14.437 14.286 0.000) 20.311 76.307 ( -31.613 3.702 0.000) 31.829 ======================= Grid point 65 (38/240) ======================= q-point: ( 0.33 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -0.907 6.153 0.000) 6.219 2.637 ( 1.180 7.419 0.000) 7.512 3.167 ( -7.141 -4.144 0.000) 8.256 3.537 ( -11.494 -10.659 0.000) 15.676 4.871 ( 19.427 -3.984 0.000) 19.831 4.941 ( 16.598 -2.541 0.000) 16.791 6.912 ( 2.967 -10.460 0.000) 10.873 7.563 ( -7.623 -1.102 0.000) 7.702 9.343 ( 6.976 -5.715 0.000) 9.018 9.810 ( -5.284 -1.258 0.000) 5.432 11.223 ( 8.239 13.653 0.000) 15.946 11.929 ( 6.468 2.392 0.000) 6.896 12.095 ( 5.717 -2.577 0.000) 6.271 12.942 ( -6.272 1.565 0.000) 6.464 13.762 ( 9.638 5.003 0.000) 10.860 14.422 ( -4.434 -2.686 0.000) 5.184 15.336 ( 12.281 -2.681 0.000) 12.570 17.001 ( -21.310 -0.489 0.000) 21.315 31.305 ( 12.318 2.103 0.000) 12.496 31.648 ( 6.229 -4.073 0.000) 7.443 34.949 ( -2.150 1.452 0.000) 2.594 35.178 ( -5.779 -2.006 0.000) 6.117 75.551 ( -11.876 9.129 0.000) 14.979 75.779 ( -21.552 3.995 0.000) 21.919 ======================= Grid point 66 (39/240) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -1.054 -0.500 0.000) 1.167 2.655 ( -0.443 -0.817 0.000) 0.929 3.036 ( -4.671 -2.604 0.000) 5.348 3.318 ( -10.278 -7.968 0.000) 13.005 5.185 ( 11.963 -5.048 0.000) 12.985 5.214 ( 10.462 -4.748 0.000) 11.489 6.999 ( 5.664 -11.119 0.000) 12.479 7.416 ( -7.203 -4.357 0.000) 8.419 9.447 ( 3.879 -4.142 0.000) 5.674 9.697 ( -5.706 -2.645 0.000) 6.289 11.411 ( 10.423 11.271 0.000) 15.351 11.960 ( -3.146 5.517 0.000) 6.351 12.232 ( 7.842 -2.429 0.000) 8.209 12.781 ( -9.160 1.179 0.000) 9.236 13.964 ( 9.858 4.513 0.000) 10.842 14.343 ( -3.666 -1.594 0.000) 3.997 15.611 ( 14.981 -0.475 0.000) 14.988 16.603 ( -18.794 0.472 0.000) 18.800 31.525 ( 9.541 1.216 0.000) 9.618 31.738 ( 2.664 -2.829 0.000) 3.886 34.925 ( -0.280 0.570 0.000) 0.636 35.072 ( -4.848 -1.794 0.000) 5.170 75.354 ( -7.681 5.596 0.000) 9.504 75.444 ( -12.354 3.203 0.000) 12.762 ======================= Grid point 67 (40/240) ======================= q-point: ( 0.47 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 2.167 -6.109 0.000) 6.482 2.599 ( -4.396 -7.288 0.000) 8.511 3.023 ( 3.263 -1.245 0.000) 3.493 3.137 ( -7.673 -4.176 0.000) 8.736 5.345 ( 4.130 -5.622 0.000) 6.976 5.352 ( 3.345 -5.578 0.000) 6.504 7.128 ( 7.090 -10.265 0.000) 12.476 7.273 ( -7.259 -7.827 0.000) 10.674 9.515 ( 3.427 -3.498 0.000) 4.897 9.593 ( -4.551 -3.311 0.000) 5.628 11.627 ( 10.968 9.234 0.000) 14.337 11.831 ( -9.029 7.449 0.000) 11.705 12.402 ( 9.178 -1.003 0.000) 9.233 12.591 ( -9.684 0.211 0.000) 9.687 14.139 ( 7.553 2.667 0.000) 8.010 14.262 ( -4.895 0.261 0.000) 4.902 15.921 ( 16.042 1.022 0.000) 16.075 16.249 ( -16.988 1.227 0.000) 17.032 31.678 ( 5.738 0.008 0.000) 5.738 31.750 ( -1.487 -1.399 0.000) 2.041 34.938 ( 1.641 -0.389 0.000) 1.686 34.989 ( -3.413 -1.226 0.000) 3.626 75.255 ( -2.096 3.568 0.000) 4.138 75.278 ( -4.560 2.822 0.000) 5.362 ======================= Grid point 75 (41/240) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 0.000 6.044 0.000) 6.044 2.440 ( 0.000 -2.426 0.000) 2.426 2.845 ( 0.000 12.789 0.000) 12.789 3.255 ( 0.000 1.065 0.000) 1.065 3.911 ( 0.000 1.979 0.000) 1.979 4.506 ( 0.000 -0.396 0.000) 0.396 6.923 ( 0.000 -1.558 0.000) 1.558 8.087 ( 0.000 -3.717 0.000) 3.717 8.234 ( 0.000 2.002 0.000) 2.002 8.849 ( 0.000 -0.525 0.000) 0.525 11.351 ( 0.000 6.692 0.000) 6.692 11.585 ( 0.000 -0.904 0.000) 0.904 11.849 ( 0.000 -2.591 0.000) 2.591 12.096 ( 0.000 -0.360 0.000) 0.360 13.892 ( 0.000 4.084 0.000) 4.084 14.237 ( 0.000 -5.981 0.000) 5.981 15.289 ( 0.000 0.417 0.000) 0.417 18.751 ( 0.000 -1.775 0.000) 1.775 30.374 ( 0.000 1.107 0.000) 1.107 30.876 ( 0.000 -0.855 0.000) 0.855 35.287 ( 0.000 -0.169 0.000) 0.169 35.610 ( 0.000 -0.125 0.000) 0.125 77.291 ( 0.000 26.725 0.000) 26.725 78.351 ( 0.000 -25.586 0.000) 25.586 ======================= Grid point 76 (42/240) ======================= q-point: ( 0.07 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 16.704 5.682 0.000) 17.643 2.638 ( 18.070 -1.965 0.000) 18.176 2.838 ( -0.453 11.851 0.000) 11.860 3.249 ( -0.254 1.061 0.000) 1.091 3.888 ( -2.370 0.634 0.000) 2.453 4.485 ( -1.967 0.433 0.000) 2.014 6.904 ( -1.810 -1.655 0.000) 2.452 8.063 ( -2.332 -3.137 0.000) 3.909 8.315 ( 7.791 1.222 0.000) 7.886 9.025 ( 16.620 -0.418 0.000) 16.625 11.334 ( -1.689 8.225 0.000) 8.396 11.523 ( -5.167 -2.855 0.000) 5.903 11.855 ( 0.604 -2.069 0.000) 2.155 12.180 ( 8.226 -0.282 0.000) 8.231 13.955 ( 4.956 6.571 0.000) 8.230 14.203 ( -2.530 -8.486 0.000) 8.855 15.257 ( -3.159 0.280 0.000) 3.171 18.636 ( -11.321 -1.577 0.000) 11.430 30.430 ( 5.610 1.134 0.000) 5.723 30.925 ( 4.840 -1.068 0.000) 4.957 35.264 ( -2.264 -0.016 0.000) 2.264 35.583 ( -2.736 -0.172 0.000) 2.741 77.177 ( -11.071 24.747 0.000) 27.110 78.141 ( -20.288 -22.157 0.000) 30.042 ======================= Grid point 77 (43/240) ======================= q-point: ( 0.13 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 19.872 7.085 0.000) 21.097 2.816 ( 0.161 11.042 0.000) 11.043 3.021 ( 10.942 -4.189 0.000) 11.716 3.336 ( 15.579 0.904 0.000) 15.606 3.816 ( -4.875 -2.984 0.000) 5.716 4.443 ( -1.609 2.304 0.000) 2.811 6.856 ( -2.848 -2.016 0.000) 3.489 7.995 ( -4.493 -1.671 0.000) 4.794 8.525 ( 12.756 -0.573 0.000) 12.768 9.434 ( 21.984 0.042 0.000) 21.984 11.286 ( -2.513 10.601 0.000) 10.895 11.440 ( -1.988 -5.431 0.000) 5.784 11.872 ( 1.220 -1.537 0.000) 1.962 12.411 ( 14.460 -0.392 0.000) 14.465 13.969 ( -5.293 7.512 0.000) 9.189 14.231 ( 6.545 -9.146 0.000) 11.247 15.171 ( -5.119 -0.070 0.000) 5.120 18.323 ( -19.429 -1.173 0.000) 19.465 30.590 ( 10.144 1.205 0.000) 10.215 31.059 ( 8.233 -1.525 0.000) 8.373 35.202 ( -3.820 0.336 0.000) 3.835 35.506 ( -4.868 -0.333 0.000) 4.879 76.874 ( -18.626 19.809 0.000) 27.191 77.602 ( -32.078 -14.571 0.000) 35.232 ======================= Grid point 78 (44/240) ======================= q-point: ( 0.20 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 0.001 10.415 0.000) 10.415 2.914 ( 4.503 12.453 0.000) 13.243 3.103 ( 4.710 -9.019 0.000) 10.175 3.691 ( -7.092 -7.754 0.000) 10.508 3.841 ( 28.456 0.000 0.000) 28.456 4.455 ( 3.889 3.033 0.000) 4.932 6.798 ( -2.764 -2.693 0.000) 3.859 7.884 ( -6.656 -0.223 0.000) 6.660 8.799 ( 14.153 -1.939 0.000) 14.285 9.792 ( 11.736 0.417 0.000) 11.744 11.282 ( 2.454 11.688 0.000) 11.943 11.464 ( 5.060 -6.785 0.000) 8.464 11.911 ( 2.822 -0.926 0.000) 2.970 12.722 ( 15.716 -0.483 0.000) 15.723 13.821 ( -7.834 3.609 0.000) 8.626 14.378 ( 6.418 -4.334 0.000) 7.744 15.079 ( -3.127 -0.565 0.000) 3.178 17.892 ( -23.105 -0.845 0.000) 23.120 30.822 ( 12.821 1.274 0.000) 12.884 31.239 ( 9.592 -1.889 0.000) 9.776 35.119 ( -4.326 0.662 0.000) 4.376 35.395 ( -6.082 -0.588 0.000) 6.111 76.469 ( -21.334 13.944 0.000) 25.487 76.933 ( -33.734 -7.391 0.000) 34.534 ======================= Grid point 79 (45/240) ======================= q-point: ( 0.27 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -1.677 7.826 0.000) 8.003 2.870 ( -5.721 7.420 0.000) 9.369 3.183 ( 0.067 -2.678 0.000) 2.679 3.524 ( -9.293 -9.706 0.000) 13.438 4.388 ( 25.436 -0.509 0.000) 25.441 4.621 ( 12.324 0.821 0.000) 12.351 6.756 ( -1.136 -3.513 0.000) 3.692 7.733 ( -8.420 0.427 0.000) 8.431 9.066 ( 12.190 -2.287 0.000) 12.402 9.883 ( -1.394 0.132 0.000) 1.400 11.349 ( 3.846 10.247 0.000) 10.945 11.651 ( 12.314 -6.161 0.000) 13.769 11.990 ( 5.092 0.228 0.000) 5.097 12.967 ( 6.740 -0.089 0.000) 6.741 13.724 ( -0.044 2.472 0.000) 2.473 14.439 ( -0.656 -1.994 0.000) 2.099 15.099 ( 6.042 -1.026 0.000) 6.129 17.429 ( -22.987 -0.606 0.000) 22.995 31.085 ( 13.326 1.255 0.000) 13.385 31.428 ( 9.046 -1.965 0.000) 9.257 35.036 ( -3.847 0.784 0.000) 3.926 35.270 ( -6.345 -0.823 0.000) 6.398 76.053 ( -19.914 8.746 0.000) 21.750 76.304 ( -28.703 -2.722 0.000) 28.832 ======================= Grid point 80 (46/240) ======================= q-point: ( 0.33 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -5.115 6.104 0.000) 7.964 2.741 ( -6.334 1.661 0.000) 6.549 3.112 ( -5.648 -0.387 0.000) 5.662 3.337 ( -9.008 -8.210 0.000) 12.188 4.831 ( 18.794 -0.585 0.000) 18.803 4.897 ( 14.078 -1.559 0.000) 14.164 6.763 ( 2.033 -4.195 0.000) 4.662 7.553 ( -9.543 -0.108 0.000) 9.544 9.270 ( 8.195 -1.845 0.000) 8.400 9.795 ( -6.285 -0.402 0.000) 6.298 11.444 ( 5.899 7.674 0.000) 9.679 11.881 ( 9.826 -4.342 0.000) 10.743 12.097 ( 5.024 1.115 0.000) 5.146 12.960 ( -5.995 0.434 0.000) 6.010 13.836 ( 9.541 2.132 0.000) 9.776 14.383 ( -3.707 -1.117 0.000) 3.872 15.305 ( 13.648 -0.669 0.000) 13.664 16.993 ( -20.643 -0.284 0.000) 20.645 31.338 ( 11.805 1.065 0.000) 11.853 31.589 ( 6.946 -1.727 0.000) 7.157 34.971 ( -2.638 0.657 0.000) 2.719 35.148 ( -5.765 -0.918 0.000) 5.838 75.694 ( -15.750 4.926 0.000) 16.502 75.810 ( -20.822 -0.366 0.000) 20.825 ======================= Grid point 81 (47/240) ======================= q-point: ( 0.40 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -6.915 2.264 0.000) 7.276 2.615 ( -7.075 -2.942 0.000) 7.662 3.019 ( -2.698 0.711 0.000) 2.790 3.179 ( -6.709 -5.148 0.000) 8.456 5.128 ( 10.988 -0.935 0.000) 11.028 5.143 ( 10.055 -2.359 0.000) 10.328 6.840 ( 5.657 -4.493 0.000) 7.224 7.358 ( -9.963 -1.540 0.000) 10.082 9.395 ( 4.707 -1.256 0.000) 4.872 9.665 ( -6.308 -0.775 0.000) 6.356 11.586 ( 8.297 5.698 0.000) 10.065 12.004 ( 0.989 -0.362 0.000) 1.054 12.200 ( 6.830 -0.506 0.000) 6.848 12.793 ( -9.893 0.228 0.000) 9.895 14.031 ( 9.034 1.977 0.000) 9.247 14.318 ( -2.771 -0.787 0.000) 2.880 15.609 ( 16.327 0.083 0.000) 16.328 16.609 ( -18.010 0.180 0.000) 18.011 31.545 ( 8.725 0.665 0.000) 8.750 31.696 ( 3.665 -1.237 0.000) 3.868 34.934 ( -0.969 0.330 0.000) 1.024 35.045 ( -4.523 -0.811 0.000) 4.595 75.437 ( -9.961 2.577 0.000) 10.288 75.479 ( -12.375 0.557 0.000) 12.387 ======================= Grid point 82 (48/240) ======================= q-point: ( 0.47 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 415 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -1.710 -1.864 0.000) 2.530 2.482 ( -5.100 -3.969 0.000) 6.462 3.011 ( 1.557 -0.050 0.000) 1.558 3.070 ( -4.261 -2.259 0.000) 4.823 5.273 ( 3.795 -1.789 0.000) 4.196 5.279 ( 3.306 -1.882 0.000) 3.804 6.981 ( 8.308 -4.177 0.000) 9.299 7.162 ( -9.625 -3.119 0.000) 10.117 9.474 ( 3.632 -0.969 0.000) 3.759 9.554 ( -4.705 -0.913 0.000) 4.793 11.763 ( 9.133 4.123 0.000) 10.020 11.930 ( -7.000 2.576 0.000) 7.459 12.376 ( 10.147 -1.092 0.000) 10.206 12.586 ( -10.674 -0.413 0.000) 10.681 14.178 ( 5.701 1.150 0.000) 5.816 14.263 ( -3.153 -0.043 0.000) 3.154 15.939 ( 16.572 0.582 0.000) 16.582 16.267 ( -16.625 0.574 0.000) 16.635 31.679 ( 4.705 0.083 0.000) 4.706 31.730 ( -0.382 -0.592 0.000) 0.705 34.934 ( 0.928 -0.098 0.000) 0.933 34.971 ( -2.834 -0.514 0.000) 2.880 75.305 ( -3.182 1.401 0.000) 3.477 75.315 ( -4.296 0.907 0.000) 4.391 ======================= Grid point 165 (49/240) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 0.000 0.000 25.654) 25.654 0.738 ( 0.000 0.000 34.230) 34.230 1.082 ( 0.000 0.000 50.101) 50.101 2.596 ( 0.000 0.000 -2.502) 2.502 3.489 ( 0.000 0.000 -2.758) 2.758 4.639 ( 0.000 0.000 -1.214) 1.214 7.641 ( 0.000 0.000 5.270) 5.270 7.872 ( 0.000 0.000 4.218) 4.218 8.866 ( 0.000 0.000 -5.280) 5.280 8.905 ( 0.000 0.000 -1.943) 1.943 10.407 ( 0.000 0.000 7.301) 7.301 11.399 ( 0.000 0.000 -0.640) 0.640 11.825 ( 0.000 0.000 0.332) 0.332 12.128 ( 0.000 0.000 -1.538) 1.538 13.611 ( 0.000 0.000 -0.443) 0.443 14.422 ( 0.000 0.000 -3.705) 3.705 17.278 ( 0.000 0.000 0.963) 0.963 18.372 ( 0.000 0.000 -4.949) 4.949 30.201 ( 0.000 0.000 2.302) 2.302 30.988 ( 0.000 0.000 -2.451) 2.451 34.792 ( 0.000 0.000 3.109) 3.109 35.934 ( 0.000 0.000 -3.731) 3.731 75.473 ( 0.000 0.000 3.768) 3.768 76.950 ( 0.000 0.000 -5.232) 5.232 ======================= Grid point 166 (50/240) ======================= q-point: ( 0.07 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 17.285 0.000 23.513) 29.183 0.931 ( 17.164 0.000 26.130) 31.263 1.443 ( 38.427 0.000 30.232) 48.894 2.829 ( 21.961 0.000 -2.817) 22.141 3.470 ( -0.919 0.000 -0.991) 1.352 4.615 ( -2.253 0.000 -0.940) 2.441 7.469 ( -13.953 0.000 16.539) 21.638 7.652 ( 1.179 0.000 4.608) 4.756 9.013 ( 10.168 0.000 -1.647) 10.301 9.436 ( 22.896 0.000 -26.537) 35.049 10.443 ( 2.429 0.000 2.728) 3.652 11.290 ( -8.879 0.000 -0.008) 8.879 11.932 ( 7.488 0.000 -3.242) 8.159 12.243 ( 9.690 0.000 -2.512) 10.010 13.584 ( -2.641 0.000 -0.130) 2.644 14.554 ( 8.636 0.000 -13.938) 16.397 16.768 ( -31.281 0.000 30.149) 43.445 18.294 ( -7.706 0.000 -4.882) 9.122 30.255 ( 5.406 0.000 2.272) 5.864 31.340 ( 20.267 0.000 -19.475) 28.107 34.792 ( 0.040 0.000 3.062) 3.062 35.773 ( -9.986 0.000 4.015) 10.763 75.456 ( -1.693 0.000 3.666) 4.038 76.053 ( -48.195 0.000 39.653) 62.411 ======================= Grid point 167 (51/240) ======================= q-point: ( 0.13 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 18.581 0.000 16.743) 25.011 1.333 ( 21.814 0.000 16.429) 27.308 2.337 ( 46.577 0.000 14.412) 48.756 3.380 ( 30.835 0.000 -4.207) 31.121 3.470 ( 1.443 0.000 -0.123) 1.448 4.558 ( -3.030 0.000 0.426) 3.060 7.351 ( -0.941 0.000 8.854) 8.904 7.690 ( 2.621 0.000 3.110) 4.068 9.267 ( 13.996 0.000 -1.064) 14.037 9.692 ( 7.049 0.000 -17.014) 18.416 10.477 ( 1.124 0.000 2.023) 2.315 11.122 ( -6.611 0.000 0.677) 6.645 12.061 ( 5.352 0.000 -1.003) 5.445 12.450 ( 10.152 0.000 -4.274) 11.015 13.514 ( -4.066 0.000 0.740) 4.132 14.664 ( 2.216 0.000 -16.800) 16.945 16.304 ( -16.516 0.000 27.979) 32.490 18.073 ( -14.312 0.000 -4.666) 15.054 30.410 ( 9.970 0.000 2.161) 10.201 31.624 ( 9.738 0.000 -14.323) 17.320 34.794 ( 0.229 0.000 2.930) 2.939 35.617 ( -6.223 0.000 2.313) 6.639 75.408 ( -3.023 0.000 3.415) 4.561 75.443 ( -17.722 0.000 26.225) 31.652 ======================= Grid point 168 (52/240) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 18.668 0.000 9.728) 21.050 1.763 ( 20.883 0.000 10.514) 23.380 3.117 ( 23.559 0.000 4.924) 24.068 3.635 ( 22.537 0.000 4.327) 22.948 3.924 ( 18.476 0.000 -8.271) 20.243 4.564 ( 7.838 0.000 4.744) 9.161 7.371 ( 2.241 0.000 5.095) 5.566 7.753 ( 3.587 0.000 1.455) 3.871 9.516 ( 10.100 0.000 -0.237) 10.103 9.804 ( 5.165 0.000 -13.172) 14.149 10.499 ( 1.341 0.000 4.168) 4.378 11.060 ( 0.432 0.000 0.298) 0.525 12.149 ( 3.592 0.000 2.280) 4.255 12.625 ( 7.073 0.000 -5.615) 9.031 13.439 ( -2.907 0.000 1.646) 3.341 14.657 ( -2.535 0.000 -14.956) 15.169 16.052 ( -9.722 0.000 19.212) 21.532 17.738 ( -18.940 0.000 -4.259) 19.413 30.642 ( 13.070 0.000 1.917) 13.210 31.774 ( 5.929 0.000 -8.804) 10.614 34.803 ( 0.665 0.000 2.732) 2.812 35.505 ( -5.379 0.000 0.291) 5.387 75.208 ( -7.767 0.000 14.042) 16.047 75.339 ( -3.782 0.000 3.148) 4.921 ======================= Grid point 169 (53/240) ======================= q-point: ( 0.27 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 17.422 0.000 5.533) 18.280 2.151 ( 17.939 0.000 6.779) 19.178 3.284 ( 1.188 0.000 0.286) 1.222 4.004 ( -6.020 0.000 -7.170) 9.362 4.330 ( 38.718 0.000 6.512) 39.262 4.946 ( 25.671 0.000 4.358) 26.038 7.427 ( 3.299 0.000 3.376) 4.720 7.822 ( 3.062 0.000 0.093) 3.064 9.665 ( 5.561 0.000 0.785) 5.616 9.913 ( 5.808 0.000 -12.654) 13.923 10.537 ( 2.579 0.000 5.924) 6.461 11.113 ( 3.652 0.000 -1.426) 3.921 12.207 ( 2.297 0.000 4.781) 5.304 12.718 ( 1.990 0.000 -4.614) 5.025 13.424 ( 2.006 0.000 0.892) 2.196 14.577 ( -5.245 0.000 -12.895) 13.921 15.900 ( -5.710 0.000 12.516) 13.757 17.336 ( -21.095 0.000 -3.588) 21.398 30.918 ( 14.413 0.000 1.495) 14.490 31.870 ( 3.659 0.000 -5.742) 6.809 34.822 ( 1.363 0.000 2.481) 2.830 35.397 ( -5.452 0.000 -0.398) 5.467 75.096 ( -3.981 0.000 8.327) 9.230 75.262 ( -3.962 0.000 2.985) 4.961 ======================= Grid point 170 (54/240) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 16.091 0.000 2.850) 16.342 2.473 ( 14.386 0.000 4.128) 14.966 3.275 ( -1.582 0.000 0.390) 1.629 3.816 ( -11.646 0.000 -4.438) 12.463 5.042 ( 31.856 0.000 5.093) 32.260 5.436 ( 22.018 0.000 2.864) 22.204 7.501 ( 4.184 0.000 2.442) 4.844 7.863 ( 0.819 0.000 -0.550) 0.986 9.769 ( 5.464 0.000 0.991) 5.553 10.028 ( 5.401 0.000 -12.603) 13.711 10.604 ( 4.142 0.000 6.123) 7.392 11.159 ( 0.223 0.000 -3.356) 3.364 12.247 ( 1.996 0.000 6.188) 6.502 12.704 ( -3.140 0.000 -1.024) 3.303 13.526 ( 7.878 0.000 -1.962) 8.118 14.454 ( -7.007 0.000 -10.967) 13.015 15.827 ( -1.489 0.000 7.819) 7.959 16.916 ( -20.734 0.000 -2.589) 20.895 31.204 ( 14.022 0.000 0.889) 14.050 31.918 ( 1.066 0.000 -3.917) 4.060 34.858 ( 2.257 0.000 2.170) 3.131 35.288 ( -5.532 0.000 -0.324) 5.542 75.039 ( -1.813 0.000 5.702) 5.984 75.185 ( -3.683 0.000 2.984) 4.740 ======================= Grid point 171 (55/240) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 14.716 0.000 0.640) 14.730 2.723 ( 10.709 0.000 1.947) 10.885 3.229 ( -2.895 0.000 1.166) 3.121 3.564 ( -13.303 0.000 -2.174) 13.480 5.574 ( 21.238 0.000 3.892) 21.592 5.791 ( 13.206 0.000 2.447) 13.431 7.593 ( 4.986 0.000 1.811) 5.305 7.851 ( -2.007 0.000 -0.321) 2.032 9.891 ( 6.731 0.000 -0.281) 6.737 10.110 ( 2.370 0.000 -10.759) 11.017 10.704 ( 5.982 0.000 3.850) 7.114 11.114 ( -4.534 0.000 -4.156) 6.150 12.296 ( 3.099 0.000 6.357) 7.072 12.611 ( -5.772 0.000 2.082) 6.136 13.714 ( 10.447 0.000 -4.395) 11.334 14.301 ( -8.355 0.000 -9.137) 12.381 15.847 ( 3.557 0.000 4.559) 5.782 16.525 ( -18.207 0.000 -1.257) 18.250 31.467 ( 12.156 0.000 0.132) 12.157 31.908 ( -2.141 0.000 -2.656) 3.412 34.913 ( 3.231 0.000 1.777) 3.687 35.179 ( -5.360 0.000 0.123) 5.361 75.020 ( -0.185 0.000 4.453) 4.457 75.117 ( -3.078 0.000 3.133) 4.392 ======================= Grid point 172 (56/240) ======================= q-point: ( 0.47 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 9.606 0.000 -1.809) 9.775 2.890 ( 5.419 0.000 -0.466) 5.438 3.180 ( -0.349 0.000 2.642) 2.665 3.306 ( -11.785 0.000 0.619) 11.801 5.879 ( 9.403 0.000 3.040) 9.882 5.948 ( 2.377 0.000 2.550) 3.486 7.695 ( 5.096 0.000 1.180) 5.231 7.788 ( -4.119 0.000 0.412) 4.139 10.023 ( 5.981 0.000 -2.978) 6.681 10.110 ( -2.416 0.000 -6.837) 7.251 10.841 ( 7.547 0.000 -0.110) 7.548 10.992 ( -7.287 0.000 -3.129) 7.930 12.376 ( 4.956 0.000 5.517) 7.416 12.489 ( -6.180 0.000 4.087) 7.409 13.924 ( 10.419 0.000 -6.040) 12.043 14.123 ( -9.496 0.000 -7.505) 12.103 15.971 ( 8.984 0.000 2.214) 9.253 16.202 ( -14.085 0.000 0.347) 14.089 31.681 ( 9.227 0.000 -0.722) 9.255 31.830 ( -5.721 0.000 -1.639) 5.951 34.986 ( 4.147 0.000 1.284) 4.342 35.077 ( -4.886 0.000 0.708) 4.937 75.030 ( 1.144 0.000 3.802) 3.970 75.064 ( -2.226 0.000 3.403) 4.066 ======================= Grid point 180 (57/240) ======================= q-point: ( 0.00 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.000 13.539 19.682) 23.889 0.758 ( 0.000 17.820 17.474) 24.957 1.540 ( 0.000 33.332 39.041) 51.335 2.590 ( 0.000 -0.557 -2.446) 2.509 3.520 ( 0.000 4.075 -2.477) 4.768 4.636 ( 0.000 -0.554 -0.006) 0.555 7.416 ( 0.000 -11.533 14.611) 18.614 7.899 ( 0.000 2.743 3.978) 4.832 8.901 ( 0.000 -0.500 -1.994) 2.056 8.936 ( 0.000 -3.352 -12.980) 13.406 10.334 ( 0.000 3.131 13.389) 13.750 11.647 ( 0.000 12.652 -15.686) 20.153 11.804 ( 0.000 -2.058 0.438) 2.104 12.129 ( 0.000 -0.024 -1.496) 1.496 13.617 ( 0.000 0.878 -0.094) 0.883 14.448 ( 0.000 0.756 -10.553) 10.580 16.411 ( 0.000 -40.497 47.197) 62.189 18.781 ( 0.000 12.403 -22.456) 25.653 30.213 ( 0.000 1.256 2.241) 2.569 30.980 ( 0.000 -0.775 -2.391) 2.513 35.009 ( 0.000 12.949 -9.090) 15.821 35.819 ( 0.000 -7.874 2.604) 8.294 75.352 ( 0.000 4.549 9.432) 10.472 78.451 ( 0.000 73.449 -79.423) 108.179 ======================= Grid point 181 (58/240) ======================= q-point: ( 0.07 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 14.525 10.296 14.864) 23.193 1.115 ( 23.801 14.053 15.655) 31.765 1.760 ( 24.909 26.838 29.664) 47.125 2.821 ( 21.677 -0.863 -2.761) 21.869 3.513 ( -0.445 4.471 -2.000) 4.918 4.607 ( -2.638 -0.870 0.197) 2.785 7.355 ( -3.652 -6.231 12.878) 14.765 7.801 ( -4.257 9.173 4.491) 11.065 8.993 ( 10.351 -2.108 -3.028) 10.989 9.301 ( 21.699 -14.232 -18.700) 31.986 10.330 ( -0.259 -0.285 11.747) 11.753 11.470 ( -11.807 10.270 -7.401) 17.311 11.920 ( 6.483 -1.175 -3.976) 7.696 12.239 ( 10.078 -0.580 -2.264) 10.345 13.597 ( -2.330 1.423 -0.269) 2.744 14.536 ( 6.314 -2.322 -15.562) 16.954 16.306 ( -8.872 -28.454 41.819) 51.353 18.558 ( -17.699 13.325 -13.498) 25.943 30.268 ( 5.415 1.269 2.213) 5.986 31.213 ( 17.127 -8.623 -9.237) 21.284 34.961 ( -3.858 11.675 -4.479) 13.086 35.727 ( -6.788 -3.806 3.731) 8.631 75.331 ( -2.034 4.698 9.192) 10.522 77.393 ( -72.242 82.268 -20.378) 111.366 ======================= Grid point 182 (59/240) ======================= q-point: ( 0.13 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 19.145 5.930 8.607) 21.812 1.516 ( 18.011 14.582 16.807) 28.627 2.470 ( 41.093 12.679 14.192) 45.286 3.365 ( 30.477 -1.467 -3.854) 30.755 3.517 ( 1.673 4.646 -1.165) 5.074 4.543 ( -3.361 -1.464 1.223) 3.865 7.321 ( 0.093 -2.761 8.624) 9.056 7.762 ( -0.300 6.392 2.865) 7.011 9.253 ( 14.280 -1.729 -2.108) 14.538 9.621 ( 11.244 -9.729 -17.186) 22.726 10.334 ( 0.883 -5.154 10.263) 11.519 11.265 ( -7.821 9.621 -3.836) 12.979 12.031 ( 4.879 -2.590 -1.189) 5.650 12.469 ( 11.623 1.008 -4.492) 12.502 13.527 ( -4.317 1.558 0.575) 4.626 14.623 ( 1.834 -4.270 -17.613) 18.216 16.119 ( -9.112 -14.794 30.967) 35.508 18.186 ( -19.314 8.198 -7.331) 22.226 30.423 ( 9.966 1.278 2.117) 10.268 31.508 ( 11.901 -9.720 -9.847) 18.251 34.892 ( -2.738 8.025 0.219) 8.482 35.603 ( -5.636 -1.389 1.767) 6.068 75.276 ( -3.340 5.094 8.410) 10.384 76.286 ( -38.608 56.640 4.772) 68.713 ======================= Grid point 183 (60/240) ======================= q-point: ( 0.20 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 18.705 3.564 5.072) 19.706 1.867 ( 17.293 9.811 12.599) 23.538 3.159 ( 19.832 3.777 3.748) 20.534 3.695 ( 23.066 5.978 3.905) 24.146 3.912 ( 19.352 -1.134 -7.540) 20.800 4.535 ( 6.486 -2.951 5.082) 8.752 7.345 ( 2.035 -2.656 5.807) 6.702 7.774 ( 1.233 1.953 1.375) 2.688 9.505 ( 10.106 -1.544 -0.973) 10.269 9.793 ( 6.792 -3.153 -15.162) 16.911 10.375 ( 3.355 -6.170 10.207) 12.390 11.183 ( -0.280 9.271 -3.075) 9.772 12.121 ( 4.295 -2.461 1.984) 5.332 12.665 ( 7.556 3.212 -5.887) 10.103 13.447 ( -3.092 1.023 1.687) 3.668 14.614 ( -2.395 -4.332 -16.081) 16.826 15.955 ( -7.242 -8.707 21.488) 24.290 17.787 ( -20.865 3.995 -5.273) 21.889 30.654 ( 13.039 1.248 1.898) 13.236 31.699 ( 7.650 -6.956 -7.184) 12.590 34.855 ( -1.009 4.719 1.748) 5.133 35.496 ( -5.295 -0.920 0.083) 5.375 75.205 ( -3.689 5.438 7.148) 9.709 75.739 ( -19.156 31.757 5.199) 37.449 ======================= Grid point 184 (61/240) ======================= q-point: ( 0.27 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 17.118 2.343 3.157) 17.564 2.196 ( 15.537 4.756 8.411) 18.296 3.294 ( 0.408 0.858 -0.510) 1.078 4.002 ( -5.694 -0.234 -6.405) 8.573 4.367 ( 36.688 3.613 6.070) 37.362 4.895 ( 24.962 -5.188 4.497) 25.889 7.396 ( 3.070 -3.124 3.967) 5.909 7.802 ( 1.404 -1.955 0.358) 2.434 9.650 ( 5.019 -1.739 0.163) 5.314 9.909 ( 5.136 -1.970 -13.899) 14.948 10.464 ( 5.517 -3.133 9.534) 11.452 11.228 ( 3.503 9.376 -4.146) 10.834 12.200 ( 3.519 -0.732 4.821) 6.014 12.755 ( 1.374 3.447 -4.958) 6.193 13.432 ( 2.136 0.897 0.988) 2.518 14.540 ( -4.788 -3.706 -13.929) 15.188 15.838 ( -4.408 -5.847 14.422) 16.174 17.360 ( -21.790 2.102 -4.059) 22.264 30.930 ( 14.335 1.142 1.509) 14.459 31.822 ( 4.772 -4.599 -5.025) 8.317 34.849 ( 0.394 2.528 2.062) 3.286 35.389 ( -5.463 -0.883 -0.470) 5.554 75.134 ( -3.276 5.238 5.786) 8.465 75.450 ( -10.950 16.794 3.890) 20.422 ======================= Grid point 185 (62/240) ======================= q-point: ( 0.33 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 15.678 1.437 1.822) 15.849 2.479 ( 12.843 0.912 5.093) 13.846 3.270 ( -2.318 -0.595 -0.315) 2.414 3.817 ( -11.558 0.005 -3.509) 12.079 5.043 ( 30.135 -0.042 4.729) 30.503 5.373 ( 21.561 -6.232 2.984) 22.641 7.467 ( 4.087 -3.439 2.697) 5.984 7.820 ( 0.178 -4.245 -0.115) 4.250 9.734 ( 4.069 -3.254 0.326) 5.220 9.998 ( 3.593 -4.245 -11.778) 13.025 10.591 ( 7.247 1.518 7.078) 10.243 11.276 ( 0.581 10.044 -5.452) 11.443 12.259 ( 2.478 1.059 6.419) 6.962 12.731 ( -3.320 2.686 -1.294) 4.462 13.534 ( 7.806 0.943 -1.982) 8.108 14.430 ( -6.206 -2.438 -11.660) 13.432 15.788 ( -0.451 -3.747 9.225) 9.967 16.931 ( -21.003 1.387 -2.817) 21.237 31.213 ( 13.877 0.920 0.942) 13.939 31.888 ( 1.826 -2.904 -3.511) 4.909 34.870 ( 1.662 1.120 1.971) 2.811 35.279 ( -5.540 -0.910 -0.344) 5.624 75.078 ( -2.245 4.270 4.688) 6.727 75.277 ( -6.897 8.617 3.353) 11.535 ======================= Grid point 186 (63/240) ======================= q-point: ( 0.40 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 14.221 0.573 0.372) 14.237 2.705 ( 9.834 -1.667 2.344) 10.246 3.211 ( -3.391 -1.800 0.637) 3.891 3.567 ( -13.186 0.149 -1.247) 13.245 5.543 ( 19.825 -3.126 3.652) 20.400 5.722 ( 13.067 -6.807 2.586) 14.959 7.558 ( 4.916 -3.616 1.826) 6.370 7.804 ( -1.876 -4.718 -0.003) 5.077 9.824 ( 4.930 -6.006 -0.959) 7.829 10.044 ( 0.850 -6.955 -8.266) 10.836 10.751 ( 8.634 5.874 2.832) 10.820 11.239 ( -4.244 10.821 -5.387) 12.811 12.308 ( 2.695 1.216 6.102) 6.780 12.640 ( -5.453 2.792 2.345) 6.560 13.721 ( 10.446 0.824 -4.553) 11.425 14.294 ( -7.513 -0.744 -9.496) 12.132 15.826 ( 4.384 -1.945 5.423) 7.240 16.536 ( -18.412 1.038 -1.286) 18.486 31.472 ( 11.929 0.546 0.228) 11.944 31.891 ( -1.583 -1.653 -2.373) 3.297 34.915 ( 2.856 0.204 1.681) 3.320 35.170 ( -5.320 -0.879 0.118) 5.393 75.048 ( -0.741 2.971 3.925) 4.978 75.165 ( -4.476 4.586 3.338) 7.226 ======================= Grid point 187 (64/240) ======================= q-point: ( 0.47 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 7.485 -1.374 -1.561) 7.769 2.866 ( 6.400 -2.337 -0.546) 6.835 3.158 ( -0.382 -2.028 2.165) 2.991 3.313 ( -11.239 0.518 1.590) 11.362 5.824 ( 8.404 -5.450 2.916) 10.432 5.882 ( 2.797 -6.590 2.656) 7.636 7.657 ( 4.852 -3.943 1.102) 6.349 7.747 ( -3.739 -4.173 0.551) 5.630 9.918 ( 3.760 -8.882 -3.996) 10.441 10.033 ( -1.531 -7.746 -3.785) 8.756 10.925 ( 8.309 8.657 -2.206) 12.200 11.120 ( -6.967 10.946 -3.023) 13.322 12.370 ( 3.094 0.013 4.081) 5.122 12.533 ( -4.415 3.797 5.490) 8.003 13.931 ( 10.212 0.722 -6.373) 12.059 14.130 ( -8.886 0.657 -7.579) 11.698 15.963 ( 9.351 -0.671 2.480) 9.698 16.209 ( -14.215 0.671 0.693) 14.248 31.680 ( 8.879 -0.014 -0.596) 8.899 31.823 ( -5.268 -0.681 -1.406) 5.495 34.983 ( 3.919 -0.381 1.242) 4.129 35.069 ( -4.766 -0.719 0.696) 4.870 75.049 ( 0.674 2.027 3.271) 3.906 75.096 ( -2.377 3.044 3.704) 5.351 ======================= Grid point 195 (65/240) ======================= q-point: ( 0.00 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 0.000 20.300 9.438) 22.387 1.192 ( 0.000 28.578 -3.667) 28.813 2.208 ( 0.000 33.915 29.174) 44.736 2.573 ( 0.000 -1.271 -2.281) 2.611 3.635 ( 0.000 6.939 -5.172) 8.654 4.621 ( 0.000 -0.647 3.417) 3.478 7.270 ( 0.000 -4.951 11.813) 12.809 7.974 ( 0.000 4.805 3.316) 5.838 8.734 ( 0.000 -14.237 -6.195) 15.526 8.886 ( 0.000 -0.949 -2.134) 2.336 10.531 ( 0.000 14.166 5.207) 15.092 11.752 ( 0.000 -3.149 0.748) 3.237 11.791 ( 0.000 3.538 -14.167) 14.602 12.125 ( 0.000 -0.403 -1.394) 1.451 13.645 ( 0.000 1.756 -0.373) 1.796 14.412 ( 0.000 -4.399 -16.103) 16.693 15.929 ( 0.000 -13.854 42.096) 44.317 18.853 ( 0.000 -1.732 -16.121) 16.214 30.248 ( 0.000 2.282 2.069) 3.080 30.958 ( 0.000 -1.473 -2.220) 2.664 35.180 ( 0.000 5.336 -7.697) 9.366 35.697 ( 0.000 -4.702 2.299) 5.235 75.610 ( 0.000 20.084 6.079) 20.984 79.190 ( 0.000 11.357 -53.689) 54.877 ======================= Grid point 196 (66/240) ======================= q-point: ( 0.07 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 8.426 23.277 -0.445) 24.760 1.441 ( 21.836 18.730 7.100) 29.632 2.329 ( 13.392 29.540 24.396) 40.585 2.796 ( 20.949 -1.642 -2.282) 21.137 3.631 ( -0.280 7.067 -4.650) 8.464 4.587 ( -3.217 -0.964 3.384) 4.768 7.257 ( -0.812 -4.318 10.759) 11.622 7.957 ( -2.003 7.143 3.159) 8.063 8.852 ( 11.163 -15.132 -6.010) 19.741 9.063 ( 15.546 -4.921 -3.743) 16.730 10.486 ( -3.800 13.306 5.312) 14.822 11.595 ( -9.934 3.168 -5.744) 11.905 11.891 ( 4.747 -1.772 -5.777) 7.685 12.220 ( 9.497 -1.323 -1.874) 9.770 13.638 ( -1.279 2.711 -0.557) 3.049 14.451 ( 3.145 -6.393 -17.775) 19.150 15.913 ( -1.754 -13.039 39.100) 41.254 18.681 ( -15.702 0.858 -13.385) 20.651 30.303 ( 5.440 2.300 2.052) 6.252 31.082 ( 10.905 -5.073 -3.686) 12.579 35.134 ( -4.253 5.984 -5.474) 9.157 35.655 ( -3.702 -3.350 1.810) 5.311 75.583 ( -2.634 19.442 5.903) 20.489 78.479 ( -59.836 29.758 -32.868) 74.473 ======================= Grid point 197 (67/240) ======================= q-point: ( 0.13 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 13.263 16.664 -1.582) 21.356 1.839 ( 16.387 17.909 12.776) 27.432 2.766 ( 28.352 16.009 12.209) 34.773 3.324 ( 29.793 -2.722 -3.269) 30.095 3.643 ( 2.581 7.941 -2.589) 8.742 4.506 ( -4.491 -2.091 3.791) 6.238 7.251 ( 0.240 -4.396 9.092) 10.102 7.897 ( -3.731 6.815 2.156) 8.064 9.123 ( 14.670 -14.462 -4.065) 20.997 9.408 ( 17.304 -5.688 -6.641) 19.388 10.417 ( -2.298 11.382 5.821) 12.989 11.416 ( -6.940 5.789 -5.052) 10.354 11.975 ( 4.134 -3.031 -2.285) 5.612 12.465 ( 13.703 -1.411 -4.228) 14.410 13.581 ( -4.268 4.009 0.275) 5.862 14.500 ( 1.218 -8.205 -19.262) 20.972 15.857 ( -3.796 -11.100 32.360) 34.421 18.298 ( -21.549 2.787 -9.297) 23.634 30.458 ( 9.964 2.326 1.993) 10.424 31.324 ( 12.203 -8.444 -4.881) 15.621 35.037 ( -4.851 6.190 -1.805) 8.069 35.569 ( -4.702 -1.984 0.494) 5.127 75.510 ( -4.524 17.596 5.416) 18.958 77.276 ( -54.578 39.667 -9.083) 68.079 ======================= Grid point 198 (68/240) ======================= q-point: ( 0.20 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 14.839 10.023 -1.655) 17.983 2.114 ( 12.151 15.069 13.335) 23.507 3.234 ( 12.347 3.072 0.434) 12.731 3.828 ( 21.094 3.983 -2.018) 21.561 3.907 ( 23.402 3.778 -0.262) 23.707 4.454 ( 2.532 -5.110 6.270) 8.476 7.267 ( 1.369 -5.334 7.466) 9.277 7.821 ( -3.664 2.726 1.228) 4.729 9.390 ( 11.376 -12.103 -2.225) 16.758 9.695 ( 10.646 -2.951 -8.908) 14.191 10.420 ( 2.932 9.826 6.851) 12.332 11.350 ( 0.541 7.496 -5.213) 9.147 12.065 ( 5.019 -3.314 0.964) 6.091 12.713 ( 10.105 1.182 -6.066) 11.845 13.492 ( -3.856 3.851 1.737) 5.719 14.493 ( -1.772 -7.896 -18.639) 20.320 15.772 ( -4.292 -9.096 25.119) 27.058 17.853 ( -22.856 2.204 -6.609) 23.894 30.689 ( 12.956 2.283 1.838) 13.283 31.544 ( 9.789 -8.161 -4.476) 13.508 34.955 ( -3.292 4.956 0.363) 5.961 35.470 ( -5.162 -1.625 -0.435) 5.430 75.410 ( -5.374 14.820 4.743) 16.462 76.385 ( -35.488 30.941 -0.104) 47.083 ======================= Grid point 199 (69/240) ======================= q-point: ( 0.27 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 14.654 5.029 -1.305) 15.548 2.337 ( 10.303 9.594 10.767) 17.724 3.304 ( -1.343 -0.202 -2.807) 3.118 3.995 ( -5.342 -0.582 -3.529) 6.428 4.455 ( 31.450 4.894 4.932) 32.208 4.755 ( 23.582 -8.789 4.618) 25.587 7.305 ( 2.494 -6.301 5.603) 8.793 7.758 ( -2.605 -2.168 0.832) 3.490 9.562 ( 5.950 -8.549 -0.832) 10.449 9.832 ( 3.844 -3.466 -9.428) 10.755 10.530 ( 7.709 9.436 6.469) 13.795 11.413 ( 4.574 9.093 -6.828) 12.257 12.175 ( 5.795 -2.002 4.493) 7.601 12.832 ( 1.548 3.915 -5.526) 6.947 13.467 ( 2.007 2.905 1.339) 3.776 14.439 ( -3.463 -6.518 -16.554) 18.125 15.704 ( -2.091 -7.118 18.406) 19.845 17.398 ( -22.688 1.406 -4.779) 23.228 30.962 ( 14.113 2.092 1.538) 14.350 31.710 ( 6.833 -6.414 -3.512) 10.008 34.908 ( -1.420 3.213 1.259) 3.731 35.364 ( -5.506 -1.643 -0.651) 5.783 75.302 ( -5.305 11.590 4.069) 13.380 75.823 ( -21.961 19.615 2.403) 29.543 ======================= Grid point 200 (70/240) ======================= q-point: ( 0.33 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 13.929 1.404 -0.852) 14.025 2.525 ( 8.565 4.056 7.412) 12.032 3.246 ( -3.973 -2.022 -2.094) 4.925 3.811 ( -11.560 -0.894 -0.553) 11.608 5.035 ( 25.799 -0.864 3.782) 26.089 5.212 ( 20.663 -9.769 3.028) 23.056 7.367 ( 3.727 -6.996 3.661) 8.732 7.716 ( -1.714 -5.739 0.798) 6.043 9.641 ( 2.605 -6.731 -0.572) 7.240 9.877 ( 1.060 -6.289 -7.577) 9.904 10.711 ( 10.164 10.020 3.979) 14.817 11.484 ( 1.751 10.522 -8.126) 13.409 12.278 ( 4.140 0.573 6.893) 8.061 12.799 ( -3.774 4.081 -1.851) 5.859 13.568 ( 7.650 2.687 -1.963) 8.342 14.363 ( -4.147 -4.389 -13.566) 14.849 15.701 ( 1.898 -4.680 12.428) 13.414 16.958 ( -21.283 1.161 -3.126) 21.543 31.239 ( 13.465 1.681 1.079) 13.613 31.814 ( 3.533 -4.473 -2.534) 6.238 34.897 ( 0.330 1.601 1.523) 2.234 35.253 ( -5.545 -1.686 -0.389) 5.809 75.204 ( -4.400 8.403 3.534) 10.122 75.479 ( -13.274 11.207 3.083) 17.644 ======================= Grid point 201 (71/240) ======================= q-point: ( 0.40 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 12.454 -1.775 -0.581) 12.594 2.679 ( 6.999 -0.240 3.515) 7.836 3.161 ( -4.182 -3.273 -0.266) 5.318 3.562 ( -13.011 -0.939 1.283) 13.107 5.458 ( 16.382 -5.447 3.015) 17.526 5.548 ( 12.823 -10.357 2.741) 16.709 7.451 ( 4.543 -7.522 2.026) 9.018 7.682 ( -1.895 -7.192 0.949) 7.498 9.687 ( 2.282 -7.745 -1.725) 8.256 9.879 ( -0.753 -8.561 -4.595) 9.745 10.924 ( 11.064 11.084 0.493) 15.669 11.467 ( -3.559 11.685 -7.400) 14.282 12.340 ( 2.491 1.900 6.206) 6.952 12.707 ( -5.146 3.838 2.537) 6.903 13.751 ( 10.238 2.335 -4.964) 11.615 14.270 ( -5.333 -1.721 -10.571) 11.964 15.783 ( 6.397 -2.108 7.483) 10.068 16.559 ( -18.623 1.203 -1.217) 18.701 31.487 ( 11.292 1.001 0.481) 11.346 31.848 ( -0.192 -2.700 -1.652) 3.171 34.920 ( 1.919 0.309 1.446) 2.423 35.146 ( -5.183 -1.589 0.110) 5.422 75.134 ( -2.514 5.665 3.117) 6.937 75.276 ( -7.534 6.294 3.367) 10.378 ======================= Grid point 202 (72/240) ======================= q-point: ( 0.47 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 4.260 -5.235 -0.276) 6.755 2.818 ( 5.803 -3.080 -1.258) 6.689 3.113 ( 0.763 -2.403 1.905) 3.159 3.316 ( -10.437 -0.402 3.538) 11.028 5.683 ( 6.219 -8.618 2.604) 10.942 5.713 ( 3.628 -10.101 2.749) 11.080 7.538 ( 3.677 -8.397 0.608) 9.187 7.637 ( -2.466 -6.798 1.596) 7.405 9.731 ( 1.716 -9.567 -4.089) 10.545 9.855 ( -1.222 -9.381 -1.306) 9.550 11.138 ( 9.809 12.203 -3.727) 16.094 11.351 ( -7.410 11.921 -4.248) 14.666 12.388 ( 2.003 1.760 3.047) 4.049 12.613 ( -3.431 4.119 6.777) 8.641 13.954 ( 9.482 1.630 -7.204) 12.020 14.144 ( -7.254 0.662 -7.980) 10.804 15.953 ( 10.395 -0.201 3.352) 10.924 16.226 ( -14.555 1.034 1.422) 14.661 31.680 ( 7.945 0.016 -0.252) 7.949 31.805 ( -4.087 -1.158 -0.809) 4.324 34.972 ( 3.301 -0.641 1.135) 3.549 35.050 ( -4.414 -1.259 0.668) 4.638 75.108 ( -0.221 3.887 2.556) 4.658 75.170 ( -3.048 4.303 3.838) 6.522 ======================= Grid point 210 (73/240) ======================= q-point: ( 0.00 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.000 17.690 5.008) 18.385 1.759 ( 0.000 28.756 -11.541) 30.986 2.539 ( 0.000 -2.235 -2.011) 3.007 2.800 ( 0.000 25.458 18.015) 31.187 3.766 ( 0.000 6.566 -4.750) 8.104 4.620 ( 0.000 0.472 7.445) 7.459 7.188 ( 0.000 -3.773 11.361) 11.971 8.077 ( 0.000 5.580 2.415) 6.080 8.455 ( 0.000 -13.627 -2.080) 13.785 8.865 ( 0.000 -1.266 -2.329) 2.650 10.821 ( 0.000 14.941 -0.358) 14.946 11.689 ( 0.000 -3.136 1.201) 3.358 11.822 ( 0.000 0.158 -11.410) 11.411 12.113 ( 0.000 -0.804 -1.276) 1.509 13.674 ( 0.000 0.800 -2.972) 3.078 14.302 ( 0.000 -6.072 -16.653) 17.726 15.758 ( 0.000 -5.343 34.378) 34.791 18.780 ( 0.000 -4.925 -13.058) 13.956 30.299 ( 0.000 2.810 1.814) 3.345 30.924 ( 0.000 -1.927 -1.968) 2.755 35.245 ( 0.000 1.814 -4.359) 4.721 35.628 ( 0.000 -2.538 -0.312) 2.557 76.091 ( 0.000 28.751 4.803) 29.149 79.138 ( 0.000 -13.286 -29.672) 32.511 ======================= Grid point 211 (74/240) ======================= q-point: ( 0.07 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 11.585 19.722 0.629) 22.882 1.841 ( 11.575 23.074 -5.735) 26.444 2.740 ( 17.964 -0.519 -1.062) 18.003 2.860 ( 7.417 19.918 14.235) 25.581 3.768 ( 0.456 7.089 -3.920) 8.114 4.579 ( -3.931 0.197 7.397) 8.379 7.176 ( -1.029 -4.069 11.024) 11.796 8.083 ( -1.117 5.657 2.117) 6.143 8.537 ( 9.299 -14.883 -1.670) 17.629 9.024 ( 14.754 -0.946 -2.859) 15.058 10.773 ( -4.167 15.306 -0.313) 15.866 11.616 ( -6.341 -0.591 -1.959) 6.663 11.855 ( 2.573 -1.938 -7.710) 8.356 12.193 ( 8.274 -1.324 -1.717) 8.553 13.692 ( 0.901 2.396 -2.373) 3.491 14.306 ( 0.458 -7.817 -17.916) 19.553 15.742 ( -1.629 -5.649 33.456) 33.969 18.645 ( -12.885 -3.605 -11.939) 17.932 30.354 ( 5.482 2.841 1.815) 6.435 31.002 ( 7.313 -3.417 -2.290) 8.391 35.210 ( -3.281 2.372 -3.516) 5.363 35.600 ( -2.652 -2.231 -0.499) 3.502 76.046 ( -4.395 27.554 4.674) 28.291 78.703 ( -39.825 -2.855 -22.799) 45.978 ======================= Grid point 212 (75/240) ======================= q-point: ( 0.13 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 7.086 20.928 -7.372) 23.292 2.185 ( 16.748 17.238 7.553) 25.193 3.027 ( 13.480 9.059 5.310) 17.087 3.269 ( 28.596 -2.226 -1.874) 28.744 3.808 ( 4.874 8.580 -0.642) 9.889 4.475 ( -6.162 -0.755 7.451) 9.698 7.156 ( -0.910 -5.182 10.303) 11.569 8.008 ( -5.915 4.173 1.433) 7.379 8.804 ( 15.823 -15.028 -0.548) 21.830 9.380 ( 18.932 0.369 -4.201) 19.396 10.691 ( -3.181 15.512 -0.156) 15.836 11.493 ( -4.637 2.266 -3.493) 6.232 11.911 ( 3.189 -3.572 -4.320) 6.449 12.427 ( 14.230 -2.131 -3.585) 14.828 13.675 ( -2.859 5.338 -0.505) 6.076 14.318 ( 0.544 -10.093 -20.200) 22.588 15.693 ( -3.230 -6.103 30.897) 31.660 18.304 ( -20.415 -1.583 -9.566) 22.600 30.510 ( 9.984 2.900 1.802) 10.552 31.187 ( 10.572 -5.738 -2.680) 12.324 35.127 ( -4.699 3.262 -1.775) 5.989 35.530 ( -4.273 -1.905 -0.876) 4.760 75.923 ( -7.707 24.252 4.318) 25.811 77.765 ( -49.688 11.625 -10.905) 52.182 ======================= Grid point 213 (76/240) ======================= q-point: ( 0.20 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 8.574 15.006 -6.746) 18.552 2.429 ( 8.407 16.770 11.717) 22.117 3.252 ( 6.227 -1.664 -4.123) 7.651 3.826 ( 23.533 -0.911 -3.505) 23.810 4.042 ( 19.828 4.928 4.363) 20.892 4.367 ( -2.110 -2.014 8.094) 8.603 7.145 ( -0.112 -6.956 9.214) 11.545 7.871 ( -7.334 2.209 1.213) 7.755 9.113 ( 14.348 -13.716 -0.002) 19.849 9.694 ( 11.076 1.402 -5.621) 12.500 10.677 ( 2.174 15.176 0.386) 15.335 11.469 ( 2.463 4.569 -4.866) 7.115 11.990 ( 5.018 -4.394 -0.908) 6.732 12.711 ( 13.075 -0.994 -5.488) 14.215 13.594 ( -4.429 6.310 1.475) 7.849 14.319 ( -0.511 -9.633 -21.077) 23.179 15.624 ( -3.295 -6.047 27.079) 27.940 17.866 ( -22.987 -0.660 -7.199) 24.097 30.740 ( 12.852 2.883 1.729) 13.285 31.399 ( 10.357 -6.576 -2.577) 12.536 35.036 ( -4.205 3.392 -0.288) 5.410 35.435 ( -5.183 -1.932 -1.044) 5.629 75.751 ( -9.353 19.611 3.824) 22.061 76.847 ( -41.069 15.791 -2.962) 44.100 ======================= Grid point 214 (77/240) ======================= q-point: ( 0.27 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 9.344 8.627 -5.145) 13.718 2.554 ( 4.720 12.259 11.135) 17.221 3.274 ( -2.581 -3.057 -5.445) 6.756 3.972 ( -6.528 -2.259 2.156) 7.236 4.521 ( 25.566 -1.522 2.897) 25.775 4.597 ( 22.351 -3.491 4.431) 23.052 7.154 ( 1.191 -8.889 7.551) 11.724 7.732 ( -6.346 -0.350 1.312) 6.489 9.351 ( 9.263 -11.274 -0.112) 14.592 9.810 ( 1.475 0.366 -6.053) 6.240 10.772 ( 6.970 14.258 0.758) 15.889 11.567 ( 6.076 6.456 -7.638) 11.702 12.118 ( 7.744 -3.795 3.680) 9.376 12.891 ( 3.879 2.040 -5.501) 7.034 13.548 ( 1.085 5.356 1.577) 5.688 14.298 ( -1.485 -7.621 -19.661) 21.139 15.582 ( -0.356 -5.156 21.903) 22.504 17.408 ( -22.748 -0.342 -5.137) 23.324 31.009 ( 13.791 2.667 1.547) 14.132 31.587 ( 8.325 -5.957 -2.081) 10.447 34.966 ( -2.756 2.687 0.621) 3.898 35.327 ( -5.603 -2.088 -0.863) 6.041 75.562 ( -9.340 14.604 3.309) 17.648 76.150 ( -29.100 13.041 0.840) 31.899 ======================= Grid point 215 (78/240) ======================= q-point: ( 0.33 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 9.353 2.566 -3.128) 10.190 2.630 ( 3.173 6.358 8.160) 10.820 3.190 ( -5.163 -3.542 -3.434) 7.141 3.771 ( -12.031 -3.582 4.317) 13.275 4.995 ( 21.130 -4.887 2.078) 21.787 5.033 ( 19.629 -6.298 2.914) 20.819 7.195 ( 2.881 -10.418 5.363) 12.066 7.625 ( -4.494 -3.328 1.601) 5.817 9.482 ( 4.242 -8.608 -0.719) 9.624 9.795 ( -2.158 -2.431 -5.049) 6.005 10.941 ( 9.764 12.865 0.092) 16.151 11.663 ( 2.876 7.466 -9.771) 12.629 12.272 ( 6.783 -1.233 7.471) 10.166 12.875 ( -4.032 3.452 -2.033) 5.684 13.642 ( 7.439 4.800 -1.965) 9.069 14.267 ( -1.638 -5.278 -16.139) 17.059 15.622 ( 4.374 -3.241 15.661) 16.580 16.971 ( -20.951 0.160 -3.179) 21.191 31.277 ( 12.859 2.155 1.235) 13.097 31.724 ( 5.248 -4.584 -1.437) 7.115 34.929 ( -0.996 1.567 1.069) 2.142 35.215 ( -5.517 -2.141 -0.428) 5.933 75.389 ( -7.907 10.105 2.877) 13.150 75.679 ( -18.671 8.704 2.438) 20.744 ======================= Grid point 216 (79/240) ======================= q-point: ( 0.40 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 7.805 -3.172 -0.486) 8.439 2.688 ( 2.733 0.372 2.797) 3.929 3.093 ( -3.823 -3.245 0.142) 5.017 3.520 ( -12.655 -3.532 4.917) 14.029 5.337 ( 12.948 -7.424 1.831) 15.037 5.354 ( 12.409 -8.250 2.745) 15.152 7.266 ( 4.114 -11.069 2.969) 12.176 7.549 ( -3.324 -6.206 2.133) 7.356 9.538 ( 1.890 -7.044 -1.969) 7.554 9.743 ( -2.785 -5.329 -3.018) 6.728 11.151 ( 11.087 11.736 -1.624) 16.227 11.668 ( -2.571 8.577 -9.283) 12.897 12.372 ( 3.530 1.160 7.444) 8.319 12.776 ( -5.415 2.921 2.502) 6.642 13.814 ( 9.398 4.141 -5.521) 11.660 14.228 ( -2.595 -2.610 -12.143) 12.688 15.753 ( 8.718 -0.836 9.693) 13.064 16.580 ( -18.262 0.911 -0.971) 18.311 31.510 ( 10.373 1.303 0.800) 10.485 31.792 ( 1.465 -2.950 -0.776) 3.384 34.927 ( 0.791 0.380 1.176) 1.467 35.111 ( -4.921 -1.953 0.117) 5.296 75.257 ( -5.119 6.638 2.533) 8.757 75.393 ( -10.437 5.381 3.111) 12.148 ======================= Grid point 217 (80/240) ======================= q-point: ( 0.47 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 3.084 -6.886 0.102) 7.546 2.732 ( 1.163 -5.718 -0.514) 5.858 3.074 ( 2.203 -1.450 2.624) 3.720 3.292 ( -9.067 -2.166 5.842) 11.001 5.510 ( 4.502 -8.777 2.078) 10.081 5.518 ( 3.973 -9.255 2.494) 10.376 7.344 ( 3.018 -10.858 0.459) 11.279 7.490 ( -2.324 -8.293 3.465) 9.283 9.568 ( 1.059 -6.766 -3.933) 7.897 9.695 ( -1.685 -6.893 -0.518) 7.115 11.369 ( 10.431 11.097 -4.335) 15.835 11.562 ( -7.636 9.582 -6.342) 13.796 12.429 ( 2.101 2.233 3.599) 4.728 12.680 ( -3.378 2.433 7.475) 8.556 13.994 ( 7.876 2.429 -8.216) 11.638 14.152 ( -4.893 0.149 -8.784) 10.056 15.960 ( 11.725 0.988 4.615) 12.640 16.249 ( -14.793 1.323 2.061) 14.994 31.682 ( 6.690 0.116 0.218) 6.694 31.780 ( -2.577 -1.323 -0.089) 2.898 34.959 ( 2.448 -0.668 1.008) 2.730 35.023 ( -3.862 -1.463 0.639) 4.179 75.191 ( -1.437 4.488 2.076) 5.149 75.253 ( -3.683 3.958 3.630) 6.512 ======================= Grid point 225 (81/240) ======================= q-point: ( 0.00 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 0.000 13.058 2.501) 13.295 2.285 ( 0.000 25.031 -13.494) 28.437 2.486 ( 0.000 -3.201 -1.653) 3.603 3.120 ( 0.000 6.086 -0.309) 6.094 3.927 ( 0.000 10.916 7.060) 13.000 4.626 ( 0.000 -0.322 9.383) 9.389 7.123 ( 0.000 -2.857 12.767) 13.083 8.180 ( 0.000 4.626 1.553) 4.880 8.225 ( 0.000 -9.625 -0.039) 9.625 8.839 ( 0.000 -1.247 -2.521) 2.813 11.092 ( 0.000 12.440 -4.206) 13.132 11.636 ( 0.000 -2.249 1.660) 2.796 11.806 ( 0.000 -1.662 -9.551) 9.694 12.096 ( 0.000 -0.816 -1.176) 1.431 13.663 ( 0.000 -1.936 -11.159) 11.326 14.207 ( 0.000 -3.189 -10.834) 11.294 15.689 ( 0.000 -2.211 29.858) 29.940 18.685 ( 0.000 -4.331 -11.929) 12.691 30.352 ( 0.000 2.495 1.538) 2.931 30.887 ( 0.000 -1.819 -1.697) 2.488 35.264 ( 0.000 0.433 -2.440) 2.478 35.592 ( 0.000 -1.258 -2.227) 2.558 76.697 ( 0.000 32.824 3.336) 32.993 78.756 ( 0.000 -24.566 -15.997) 29.316 ======================= Grid point 226 (82/240) ======================= q-point: ( 0.07 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 16.463 12.852 2.253) 21.006 2.302 ( 2.469 22.979 -12.153) 26.112 2.690 ( 18.935 -3.113 -1.805) 19.274 3.122 ( 0.601 4.655 -1.188) 4.842 3.931 ( 0.487 10.092 7.301) 12.465 4.586 ( -3.899 0.102 9.260) 10.048 7.104 ( -1.727 -3.167 12.500) 13.010 8.143 ( -3.735 -1.303 0.829) 4.042 8.331 ( 10.372 -4.377 1.076) 11.309 9.007 ( 15.693 -0.840 -2.914) 15.983 11.056 ( -3.271 13.245 -4.147) 14.260 11.586 ( -4.526 -2.307 0.267) 5.087 11.815 ( 0.927 -2.150 -8.291) 8.615 12.172 ( 7.707 -0.772 -1.666) 7.922 13.714 ( 4.175 -0.400 -10.010) 10.854 14.179 ( -2.543 -4.588 -12.083) 13.172 15.667 ( -2.148 -2.464 29.696) 29.875 18.569 ( -11.337 -3.731 -11.229) 16.387 30.408 ( 5.554 2.541 1.554) 6.302 30.945 ( 5.613 -2.463 -1.729) 6.369 35.239 ( -2.499 0.777 -2.119) 3.368 35.567 ( -2.495 -1.258 -2.153) 3.528 76.624 ( -7.220 31.053 3.321) 32.054 78.474 ( -26.828 -18.737 -13.336) 35.336 ======================= Grid point 227 (83/240) ======================= q-point: ( 0.13 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 4.946 19.556 -8.203) 21.776 2.490 ( 16.575 13.813 1.757) 21.648 3.063 ( 8.368 -4.146 -3.816) 10.088 3.263 ( 22.543 0.350 -2.312) 22.664 3.956 ( 2.232 6.190 8.212) 10.523 4.486 ( -5.557 1.739 8.693) 10.463 7.061 ( -2.434 -4.231 11.810) 12.779 8.041 ( -6.324 -0.824 0.963) 6.450 8.598 ( 15.345 -5.876 1.668) 16.516 9.390 ( 20.423 0.408 -3.876) 20.792 10.986 ( -2.883 14.313 -3.953) 15.126 11.501 ( -2.708 -1.629 -1.463) 3.483 11.844 ( 2.065 -3.069 -6.269) 7.279 12.393 ( 13.927 -1.159 -3.073) 14.309 13.773 ( 0.397 4.308 -4.896) 6.534 14.132 ( -1.346 -8.411 -17.326) 19.307 15.608 ( -3.617 -2.924 29.101) 29.470 18.259 ( -19.098 -2.586 -9.496) 21.485 30.566 ( 10.059 2.650 1.582) 10.522 31.096 ( 9.148 -3.708 -1.706) 10.017 35.172 ( -4.018 1.488 -1.343) 4.490 35.497 ( -4.349 -1.378 -1.934) 4.955 76.423 ( -12.530 26.361 3.250) 29.368 77.788 ( -39.382 -7.497 -7.722) 40.826 ======================= Grid point 228 (84/240) ======================= q-point: ( 0.20 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 3.060 16.656 -9.536) 19.435 2.738 ( 6.284 14.047 7.578) 17.153 3.165 ( 4.438 -6.845 -6.934) 10.707 3.817 ( 26.372 -0.305 -1.840) 26.438 4.017 ( 4.003 -5.664 10.124) 12.272 4.422 ( 2.050 5.798 6.409) 8.882 7.014 ( -2.141 -6.011 10.715) 12.471 7.898 ( -7.834 0.529 1.280) 7.956 8.906 ( 14.915 -7.304 1.643) 16.688 9.723 ( 11.240 1.341 -4.932) 12.347 10.972 ( 1.842 14.596 -3.633) 15.153 11.515 ( 4.404 -0.353 -3.070) 5.380 11.906 ( 4.530 -3.755 -3.236) 6.715 12.689 ( 14.614 -1.004 -4.690) 15.381 13.720 ( -4.571 6.305 0.447) 7.801 14.136 ( 1.240 -8.777 -22.307) 24.004 15.536 ( -3.060 -3.053 27.578) 27.914 17.839 ( -22.388 -1.746 -7.377) 23.637 30.796 ( 12.794 2.715 1.580) 13.174 31.292 ( 10.127 -4.489 -1.475) 11.175 35.088 ( -4.219 1.959 -0.471) 4.675 35.399 ( -5.420 -1.665 -1.557) 5.880 76.144 ( -14.954 20.199 3.086) 25.321 77.000 ( -38.164 0.570 -2.722) 38.266 ======================= Grid point 229 (85/240) ======================= q-point: ( 0.27 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 3.327 11.383 -7.883) 14.241 2.778 ( -0.808 9.017 6.616) 11.213 3.201 ( -1.315 -3.077 -3.912) 5.148 3.882 ( -8.918 -7.278 9.593) 14.984 4.418 ( 25.762 -4.275 0.341) 26.117 4.626 ( 16.231 2.225 3.474) 16.747 6.983 ( -0.745 -8.028 9.155) 12.199 7.739 ( -8.005 0.753 1.642) 8.207 9.168 ( 11.048 -7.113 0.812) 13.165 9.823 ( -0.194 0.707 -5.142) 5.194 11.050 ( 5.584 13.759 -3.300) 15.212 11.647 ( 7.280 1.179 -6.733) 9.986 12.041 ( 9.163 -3.545 2.528) 10.145 12.915 ( 6.427 0.596 -4.832) 8.063 13.658 ( 0.041 5.416 1.286) 5.567 14.158 ( 0.752 -6.377 -22.233) 23.141 15.508 ( 0.739 -2.553 23.959) 24.106 17.391 ( -22.243 -1.181 -5.231) 22.880 31.061 ( 13.473 2.585 1.505) 13.801 31.485 ( 9.061 -4.424 -1.049) 10.138 35.011 ( -3.388 1.878 0.250) 3.881 35.287 ( -5.768 -1.939 -1.037) 6.173 75.846 ( -14.580 14.075 2.837) 20.463 76.312 ( -30.360 3.685 0.406) 30.586 ======================= Grid point 230 (86/240) ======================= q-point: ( 0.33 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 3.121 5.260 -5.096) 7.961 2.737 ( -2.922 3.166 4.021) 5.893 3.134 ( -4.550 -0.947 0.039) 4.647 3.663 ( -12.115 -7.421 9.602) 17.148 4.876 ( 19.846 -4.634 0.556) 20.387 4.965 ( 16.145 -2.902 2.231) 16.555 6.992 ( 1.730 -9.577 7.164) 12.084 7.585 ( -7.350 -0.952 2.056) 7.691 9.340 ( 6.274 -5.677 -0.476) 8.474 9.765 ( -4.617 -0.942 -4.322) 6.394 11.187 ( 8.047 11.912 -3.126) 14.711 11.760 ( 3.746 2.184 -10.079) 10.972 12.238 ( 9.282 -1.909 7.872) 12.319 12.928 ( -3.882 1.962 -1.537) 4.613 13.742 ( 7.313 4.998 -2.105) 9.104 14.169 ( 0.431 -4.494 -18.649) 19.188 15.578 ( 6.297 -1.321 17.867) 18.991 16.967 ( -20.111 -0.434 -3.083) 20.351 31.319 ( 12.204 2.141 1.336) 12.462 31.642 ( 6.514 -3.662 -0.535) 7.492 34.957 ( -1.950 1.310 0.730) 2.460 35.174 ( -5.451 -2.010 -0.439) 5.827 75.579 ( -12.031 9.048 2.556) 15.269 75.802 ( -20.958 3.801 2.008) 21.394 ======================= Grid point 231 (87/240) ======================= q-point: ( 0.40 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 2.102 -1.290 -1.139) 2.717 2.670 ( -3.621 -2.511 0.493) 4.434 3.058 ( -2.223 0.146 3.640) 4.268 3.425 ( -11.353 -6.099 8.515) 15.446 5.197 ( 12.274 -5.463 1.125) 13.481 5.233 ( 10.366 -5.154 1.832) 11.720 7.053 ( 4.262 -9.986 4.859) 11.895 7.447 ( -6.636 -4.229 2.723) 8.327 9.429 ( 3.102 -4.062 -1.828) 5.428 9.667 ( -4.792 -2.713 -2.925) 6.235 11.365 ( 9.632 9.922 -3.716) 14.319 11.790 ( -0.953 3.846 -10.539) 11.260 12.382 ( 5.408 -0.009 9.264) 10.727 12.816 ( -6.436 1.280 2.633) 7.071 13.902 ( 8.098 4.545 -5.936) 11.021 14.174 ( -0.174 -2.750 -13.783) 14.056 15.750 ( 10.638 0.328 11.263) 15.496 16.595 ( -17.354 0.586 -0.716) 17.378 31.536 ( 9.375 1.344 1.073) 9.532 31.738 ( 2.936 -2.481 -0.019) 3.844 34.935 ( -0.228 0.467 0.948) 1.081 35.074 ( -4.554 -1.776 0.146) 4.890 75.378 ( -7.875 5.584 2.279) 9.919 75.475 ( -12.033 2.954 2.751) 12.692 ======================= Grid point 232 (88/240) ======================= q-point: ( 0.47 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 0.929 -5.856 0.549) 5.955 2.607 ( -2.163 -6.671 0.641) 7.042 3.060 ( 1.998 0.105 4.325) 4.765 3.234 ( -6.895 -3.621 7.698) 10.950 5.361 ( 4.257 -5.962 1.552) 7.488 5.370 ( 3.332 -5.960 1.716) 7.041 7.147 ( 4.452 -8.626 2.071) 9.925 7.326 ( -4.956 -8.053 4.426) 10.441 9.476 ( 1.613 -2.832 -3.509) 4.789 9.588 ( -2.654 -4.142 -1.038) 5.027 11.557 ( 9.271 8.010 -5.412) 13.394 11.717 ( -6.232 6.103 -8.343) 12.071 12.469 ( 3.243 1.953 5.829) 6.951 12.700 ( -4.339 -0.446 7.622) 8.782 14.044 ( 5.587 2.592 -8.893) 10.818 14.149 ( -2.337 -0.447 -9.756) 10.042 15.987 ( 12.879 1.594 5.737) 14.189 16.275 ( -14.751 1.300 2.360) 14.995 31.685 ( 5.434 0.251 0.686) 5.483 31.756 ( -1.147 -1.149 0.497) 1.698 34.948 ( 1.546 -0.437 0.901) 1.842 34.996 ( -3.197 -1.231 0.624) 3.482 75.273 ( -2.641 3.684 1.954) 4.936 75.317 ( -3.993 2.452 3.190) 5.669 ======================= Grid point 240 (89/240) ======================= q-point: ( 0.00 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 0.000 5.665 1.228) 5.797 2.426 ( 0.000 -2.294 -1.303) 2.639 2.708 ( 0.000 17.174 -11.730) 20.798 3.071 ( 0.000 -8.358 -13.829) 16.158 4.137 ( 0.000 7.826 17.338) 19.022 4.600 ( 0.000 -1.841 8.321) 8.522 7.083 ( 0.000 -1.069 14.172) 14.212 8.095 ( 0.000 -3.530 0.757) 3.610 8.245 ( 0.000 1.846 1.027) 2.113 8.821 ( 0.000 -0.568 -2.644) 2.705 11.276 ( 0.000 5.544 -6.932) 8.876 11.606 ( 0.000 -0.812 1.954) 2.116 11.770 ( 0.000 -1.484 -7.816) 7.955 12.085 ( 0.000 -0.344 -1.120) 1.171 13.619 ( 0.000 -1.685 -19.592) 19.665 14.176 ( 0.000 -0.506 -4.075) 4.106 15.662 ( 0.000 -0.621 27.850) 27.857 18.625 ( 0.000 -1.683 -11.584) 11.705 30.388 ( 0.000 1.048 1.347) 1.707 30.860 ( 0.000 -0.796 -1.508) 1.705 35.268 ( 0.000 0.043 -1.696) 1.696 35.577 ( 0.000 -0.381 -3.110) 3.134 77.303 ( 0.000 25.778 1.219) 25.806 78.256 ( 0.000 -23.084 -8.505) 24.601 ======================= Grid point 241 (90/240) ======================= q-point: ( 0.07 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 16.883 5.362 1.434) 17.771 2.614 ( 15.103 0.185 -2.971) 15.394 2.715 ( 2.750 13.632 -9.757) 16.988 3.068 ( 0.273 -7.756 -13.475) 15.550 4.113 ( -2.493 6.366 17.203) 18.511 4.575 ( -2.314 -0.912 8.023) 8.400 7.061 ( -2.192 -1.188 13.848) 14.071 8.071 ( -2.261 -3.008 0.808) 3.849 8.330 ( 8.165 1.129 1.416) 8.364 8.993 ( 16.309 -0.430 -2.939) 16.577 11.260 ( -1.496 6.685 -6.977) 9.777 11.537 ( -5.886 -2.248 1.245) 6.423 11.778 ( 0.769 -1.232 -7.441) 7.581 12.163 ( 7.752 -0.196 -1.579) 7.913 13.689 ( 6.287 -1.283 -19.661) 20.682 14.131 ( -4.324 -0.825 -3.838) 5.841 15.637 ( -2.440 -0.704 27.950) 28.065 18.516 ( -10.691 -1.512 -10.995) 15.410 30.445 ( 5.634 1.077 1.369) 5.897 30.910 ( 4.899 -0.989 -1.456) 5.206 35.247 ( -2.081 0.160 -1.526) 2.586 35.551 ( -2.562 -0.407 -2.947) 3.926 77.192 ( -10.848 23.935 1.431) 26.317 78.059 ( -19.006 -20.103 -7.296) 28.611 ======================= Grid point 242 (91/240) ======================= q-point: ( 0.13 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 14.114 10.137 -2.058) 17.498 2.719 ( 7.326 10.283 -6.340) 14.128 2.930 ( 3.404 -8.812 -8.504) 12.711 3.242 ( 23.585 -1.670 -5.283) 24.227 4.038 ( -5.018 2.184 16.844) 17.710 4.522 ( -2.371 1.376 7.076) 7.588 7.002 ( -3.510 -1.624 12.980) 13.544 8.006 ( -4.340 -1.630 0.994) 4.741 8.547 ( 13.027 -0.552 2.083) 13.204 9.394 ( 21.437 0.073 -3.753) 21.763 11.224 ( -1.632 9.375 -6.471) 11.507 11.432 ( -3.178 -4.934 -0.207) 5.873 11.802 ( 1.790 -1.084 -6.567) 6.892 12.381 ( 13.660 -0.243 -2.790) 13.945 13.828 ( 6.297 1.195 -18.349) 19.436 14.018 ( -6.241 -2.912 -5.054) 8.542 15.572 ( -3.854 -0.852 28.101) 28.377 18.220 ( -18.406 -1.160 -9.460) 20.727 30.605 ( 10.172 1.153 1.418) 10.335 31.045 ( 8.375 -1.404 -1.273) 8.586 35.190 ( -3.516 0.430 -1.077) 3.703 35.479 ( -4.562 -0.509 -2.498) 5.226 76.895 ( -18.346 19.304 1.904) 26.699 77.552 ( -30.330 -13.435 -4.477) 33.473 ======================= Grid point 243 (92/240) ======================= q-point: ( 0.20 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -0.403 14.262 -9.661) 17.231 2.879 ( -2.072 -4.002 -7.647) 8.876 3.058 ( 13.996 -0.182 1.711) 14.101 3.796 ( 25.168 -1.649 0.173) 25.222 3.923 ( -3.258 -2.496 14.137) 14.721 4.514 ( 2.630 2.737 5.301) 6.520 6.929 ( -3.625 -2.386 11.699) 12.478 7.898 ( -6.445 -0.224 1.302) 6.579 8.822 ( 13.902 -1.859 2.117) 14.185 9.741 ( 11.407 0.479 -4.701) 12.347 11.221 ( 1.607 10.191 -6.319) 12.099 11.449 ( 5.289 -5.647 -0.886) 7.787 11.861 ( 4.498 -0.929 -4.548) 6.464 12.677 ( 15.019 -0.305 -4.222) 15.604 13.824 ( -6.048 3.970 -0.480) 7.250 13.997 ( 4.036 -4.976 -22.839) 23.720 15.500 ( -2.934 -0.877 27.604) 27.773 17.811 ( -21.934 -0.858 -7.434) 23.176 30.837 ( 12.830 1.231 1.451) 12.971 31.230 ( 9.813 -1.736 -0.936) 10.009 35.113 ( -3.988 0.676 -0.489) 4.074 35.375 ( -5.703 -0.689 -1.860) 6.038 76.494 ( -21.151 13.745 2.327) 25.332 76.915 ( -32.280 -7.007 -1.555) 33.068 ======================= Grid point 244 (93/240) ======================= q-point: ( 0.27 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -1.295 11.500 -8.775) 14.524 2.806 ( -4.475 -6.226 -6.969) 10.361 3.228 ( 2.192 4.591 6.099) 7.942 3.722 ( -10.152 -6.936 14.996) 19.392 4.376 ( 25.801 -0.676 -1.001) 25.829 4.655 ( 11.275 0.725 3.080) 11.711 6.869 ( -2.127 -3.233 10.113) 10.828 7.752 ( -8.177 0.424 1.696) 8.362 9.078 ( 11.457 -2.236 1.111) 11.726 9.833 ( -1.077 0.256 -4.764) 4.891 11.277 ( 3.806 8.210 -6.549) 11.170 11.610 ( 8.969 -3.594 -3.401) 10.243 12.000 ( 9.708 -0.704 0.687) 9.758 12.920 ( 7.763 0.108 -4.286) 8.868 13.738 ( -0.799 2.326 0.889) 2.615 14.067 ( 2.605 -2.607 -23.697) 23.982 15.478 ( 1.324 -0.679 24.824) 24.869 17.371 ( -21.786 -0.611 -5.252) 22.419 31.101 ( 13.304 1.229 1.435) 13.437 31.423 ( 9.306 -1.800 -0.487) 9.491 35.037 ( -3.548 0.750 0.091) 3.628 35.258 ( -5.947 -0.860 -1.139) 6.116 76.080 ( -19.865 8.760 2.529) 21.857 76.310 ( -27.795 -2.747 0.559) 27.936 ======================= Grid point 245 (94/240) ======================= q-point: ( 0.33 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -2.793 7.057 -6.620) 10.071 2.710 ( -5.051 -5.251 -4.044) 8.333 3.185 ( -4.816 4.674 7.721) 10.230 3.508 ( -10.910 -6.879 13.172) 18.435 4.827 ( 19.257 -0.817 -0.289) 19.277 4.917 ( 13.648 -1.622 1.814) 13.863 6.855 ( 0.964 -3.857 8.311) 9.214 7.577 ( -9.250 -0.094 2.167) 9.501 9.267 ( 7.419 -1.849 -0.416) 7.658 9.753 ( -5.774 -0.292 -4.026) 7.045 11.375 ( 6.075 6.256 -5.891) 10.523 11.755 ( 5.400 -1.586 -7.950) 9.741 12.212 ( 10.159 -0.606 7.081) 12.398 12.953 ( -3.648 0.636 -0.970) 3.828 13.815 ( 7.480 2.163 -2.076) 8.059 14.104 ( 1.400 -1.838 -20.420) 20.550 15.564 ( 7.328 -0.248 18.894) 20.267 16.960 ( -19.396 -0.264 -3.011) 19.630 31.353 ( 11.749 1.067 1.357) 11.875 31.589 ( 7.197 -1.571 -0.010) 7.367 34.977 ( -2.431 0.608 0.550) 2.565 35.144 ( -5.399 -0.918 -0.431) 5.494 75.722 ( -15.793 5.067 2.525) 16.777 75.829 ( -20.363 -0.576 1.755) 20.447 ======================= Grid point 246 (95/240) ======================= q-point: ( 0.40 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -3.641 1.174 -2.491) 4.565 2.604 ( -5.689 -3.287 -0.950) 6.639 3.095 ( -3.120 2.720 7.288) 8.381 3.307 ( -8.933 -4.871 10.492) 14.616 5.134 ( 11.525 -1.162 0.498) 11.595 5.157 ( 9.776 -2.441 1.345) 10.166 6.911 ( 4.593 -3.990 6.409) 8.837 7.389 ( -9.533 -1.555 2.804) 10.058 9.379 ( 4.203 -1.194 -1.646) 4.669 9.633 ( -5.852 -0.846 -3.147) 6.698 11.515 ( 7.790 4.693 -5.761) 10.766 11.823 ( 1.158 0.138 -10.231) 10.298 12.378 ( 6.791 -0.187 10.308) 12.345 12.830 ( -7.672 0.285 2.823) 8.180 13.974 ( 7.349 2.305 -5.503) 9.466 14.129 ( 1.052 -1.518 -15.431) 15.541 15.758 ( 11.703 0.331 11.996) 16.762 16.603 ( -16.557 0.215 -0.586) 16.569 31.558 ( 8.636 0.708 1.218) 8.750 31.701 ( 3.879 -1.108 0.421) 4.056 34.943 ( -0.884 0.291 0.813) 1.236 35.047 ( -4.231 -0.800 0.179) 4.310 75.463 ( -10.059 2.816 2.403) 10.718 75.505 ( -12.152 0.234 2.327) 12.375 ======================= Grid point 247 (96/240) ======================= q-point: ( 0.47 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -0.822 -1.841 0.914) 2.214 2.500 ( -3.905 -3.569 1.612) 5.531 3.077 ( 1.066 1.387 6.340) 6.577 3.164 ( -5.031 -2.930 8.090) 9.967 5.286 ( 3.821 -1.806 1.109) 4.369 5.290 ( 3.409 -2.184 1.113) 4.199 7.031 ( 7.086 -3.095 4.504) 8.949 7.205 ( -8.653 -3.601 3.901) 10.152 9.449 ( 3.036 -0.354 -2.500) 3.949 9.532 ( -4.086 -1.603 -2.300) 4.955 11.671 ( 7.414 3.340 -6.971) 10.710 11.793 ( -4.117 1.743 -9.324) 10.341 12.505 ( 6.137 1.427 8.943) 10.940 12.675 ( -7.258 -1.411 6.729) 9.997 14.087 ( 3.817 1.571 -8.534) 9.480 14.137 ( -0.561 -0.716 -10.967) 11.005 16.013 ( 13.555 0.782 6.352) 14.990 16.294 ( -14.618 0.567 2.393) 14.823 31.690 ( 4.562 0.196 1.008) 4.676 31.738 ( -0.197 -0.526 0.783) 0.963 34.943 ( 0.876 -0.116 0.839) 1.219 34.978 ( -2.651 -0.515 0.621) 2.771 75.328 ( -3.424 1.839 2.215) 4.474 75.344 ( -4.034 0.381 2.624) 4.828 ======================= Grid point 330 (97/240) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.000 0.000 23.067) 23.067 1.424 ( 0.000 0.000 30.685) 30.685 2.075 ( 0.000 0.000 43.424) 43.424 2.515 ( 0.000 0.000 -5.185) 5.185 3.407 ( 0.000 0.000 -4.668) 4.668 4.588 ( 0.000 0.000 -3.954) 3.954 7.793 ( 0.000 0.000 8.822) 8.822 7.998 ( 0.000 0.000 7.599) 7.599 8.725 ( 0.000 0.000 -7.634) 7.634 8.843 ( 0.000 0.000 -4.058) 4.058 10.603 ( 0.000 0.000 10.710) 10.710 11.375 ( 0.000 0.000 -1.793) 1.793 11.837 ( 0.000 0.000 0.800) 0.800 12.083 ( 0.000 0.000 -2.680) 2.680 13.608 ( 0.000 0.000 0.506) 0.506 14.308 ( 0.000 0.000 -7.040) 7.040 17.316 ( 0.000 0.000 2.862) 2.862 18.224 ( 0.000 0.000 -8.894) 8.894 30.271 ( 0.000 0.000 4.353) 4.353 30.913 ( 0.000 0.000 -4.581) 4.581 34.888 ( 0.000 0.000 5.982) 5.982 35.821 ( 0.000 0.000 -6.934) 6.934 75.590 ( 0.000 0.000 7.301) 7.301 76.793 ( 0.000 0.000 -9.543) 9.543 ======================= Grid point 331 (98/240) ======================= q-point: ( 0.07 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 19.586 0.000 20.136) 28.090 1.514 ( 8.749 0.000 27.654) 29.005 2.208 ( 15.701 0.000 37.737) 40.873 2.741 ( 21.025 0.000 -5.594) 21.757 3.415 ( 0.890 0.000 -3.607) 3.715 4.573 ( -1.299 0.000 -3.427) 3.665 7.763 ( -14.219 0.000 11.800) 18.478 7.783 ( -0.749 0.000 7.426) 7.464 8.960 ( 11.023 0.000 -3.332) 11.515 9.023 ( 19.584 0.000 -13.875) 24.001 10.587 ( -1.122 0.000 9.210) 9.278 11.282 ( -7.702 0.000 -0.978) 7.764 11.908 ( 6.291 0.000 0.108) 6.292 12.173 ( 7.645 0.000 -3.923) 8.593 13.589 ( -1.839 0.000 0.934) 2.063 14.337 ( 2.278 0.000 -9.112) 9.392 17.129 ( -16.361 0.000 9.885) 19.115 18.148 ( -7.512 0.000 -8.789) 11.562 30.325 ( 5.337 0.000 4.334) 6.875 31.063 ( 12.836 0.000 -9.377) 15.896 34.886 ( -0.129 0.000 5.860) 5.861 35.751 ( -6.075 0.000 -4.666) 7.660 75.569 ( -2.070 0.000 7.007) 7.307 76.445 ( -28.613 0.000 4.137) 28.911 ======================= Grid point 332 (99/240) ======================= q-point: ( 0.13 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 13.035 0.000 21.649) 25.271 1.748 ( 14.100 0.000 21.442) 25.663 2.720 ( 31.783 0.000 19.589) 37.335 3.254 ( 27.702 0.000 -7.616) 28.730 3.465 ( 5.679 0.000 0.699) 5.722 4.554 ( 0.331 0.000 -1.157) 1.203 7.567 ( -5.660 0.000 10.706) 12.110 7.775 ( 0.169 0.000 4.662) 4.665 9.232 ( 14.836 0.000 -2.313) 15.015 9.338 ( 11.826 0.000 -14.417) 18.647 10.579 ( 0.559 0.000 6.841) 6.864 11.132 ( -6.234 0.000 -0.091) 6.234 12.053 ( 7.662 0.000 0.192) 7.665 12.337 ( 8.132 0.000 -5.934) 10.067 13.541 ( -2.884 0.000 1.924) 3.466 14.369 ( 0.445 0.000 -12.112) 12.121 16.769 ( -18.147 0.000 16.413) 24.469 17.933 ( -13.879 0.000 -8.443) 16.246 30.478 ( 9.753 0.000 4.215) 10.625 31.332 ( 12.837 0.000 -12.569) 17.966 34.884 ( -0.074 0.000 5.522) 5.523 35.617 ( -6.804 0.000 -2.494) 7.247 75.512 ( -3.577 0.000 6.282) 7.229 75.891 ( -24.086 0.000 14.056) 27.887 ======================= Grid point 333 (100/240) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 12.203 0.000 17.708) 21.506 2.047 ( 15.305 0.000 15.441) 21.741 3.186 ( 10.296 0.000 0.300) 10.300 3.710 ( 14.684 0.000 -11.601) 18.714 3.808 ( 31.436 0.000 12.379) 33.785 4.658 ( 12.461 0.000 3.577) 12.964 7.510 ( -0.702 0.000 7.599) 7.632 7.791 ( 1.366 0.000 1.953) 2.383 9.499 ( 11.185 0.000 -1.540) 11.290 9.519 ( 7.180 0.000 -12.168) 14.128 10.608 ( 2.230 0.000 5.877) 6.286 11.060 ( -0.969 0.000 -0.523) 1.101 12.198 ( 6.740 0.000 2.097) 7.059 12.486 ( 6.774 0.000 -6.871) 9.649 13.483 ( -2.640 0.000 2.542) 3.665 14.348 ( -2.486 0.000 -13.840) 14.062 16.437 ( -14.929 0.000 16.214) 22.040 17.610 ( -18.175 0.000 -7.768) 19.766 30.703 ( 12.606 0.000 3.859) 13.183 31.555 ( 9.522 0.000 -11.175) 14.682 34.885 ( 0.268 0.000 5.033) 5.040 35.490 ( -6.007 0.000 -1.989) 6.327 75.432 ( -4.257 0.000 5.475) 6.936 75.515 ( -14.228 0.000 13.002) 19.274 ======================= Grid point 334 (101/240) ======================= q-point: ( 0.27 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 12.577 0.000 11.972) 17.364 2.340 ( 13.832 0.000 10.540) 17.390 3.270 ( 1.219 0.000 -1.864) 2.227 3.808 ( -2.675 0.000 -11.100) 11.418 4.522 ( 36.469 0.000 11.274) 38.172 5.048 ( 23.929 0.000 4.694) 24.385 7.521 ( 1.624 0.000 5.294) 5.538 7.823 ( 1.629 0.000 -0.086) 1.631 9.646 ( 5.890 0.000 -11.400) 12.831 9.669 ( 6.218 0.000 -0.946) 6.290 10.662 ( 3.069 0.000 5.771) 6.536 11.072 ( 1.263 0.000 -2.341) 2.660 12.315 ( 4.943 0.000 4.839) 6.917 12.606 ( 5.206 0.000 -5.345) 7.461 13.448 ( -0.554 0.000 1.382) 1.488 14.277 ( -4.497 0.000 -14.605) 15.282 16.181 ( -10.704 0.000 13.140) 16.949 17.227 ( -19.884 0.000 -6.632) 20.961 30.967 ( 13.648 0.000 3.152) 14.007 31.712 ( 6.316 0.000 -8.712) 10.760 34.896 ( 0.889 0.000 4.442) 4.530 35.377 ( -5.389 0.000 -1.688) 5.647 75.302 ( -7.739 0.000 10.041) 12.677 75.347 ( -4.191 0.000 4.901) 6.448 ======================= Grid point 335 (102/240) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 12.333 0.000 6.877) 14.121 2.589 ( 11.071 0.000 6.495) 12.835 3.274 ( -0.571 0.000 -0.648) 0.864 3.685 ( -8.454 0.000 -7.806) 11.507 5.190 ( 29.804 0.000 8.527) 31.000 5.512 ( 21.258 0.000 3.997) 21.630 7.570 ( 3.185 0.000 3.899) 5.035 7.847 ( 0.617 0.000 -0.933) 1.119 9.758 ( 5.356 0.000 -11.932) 13.079 9.769 ( 4.361 0.000 -1.615) 4.650 10.727 ( 3.358 0.000 5.463) 6.412 11.078 ( -1.040 0.000 -3.673) 3.817 12.395 ( 3.249 0.000 7.048) 7.761 12.678 ( 1.551 0.000 -1.286) 2.015 13.477 ( 3.796 0.000 -2.306) 4.442 14.175 ( -5.635 0.000 -14.499) 15.556 16.017 ( -5.579 0.000 9.544) 11.055 16.836 ( -19.014 0.000 -4.923) 19.641 31.234 ( 12.977 0.000 2.068) 13.141 31.806 ( 3.040 0.000 -6.430) 7.113 34.922 ( 1.691 0.000 3.763) 4.125 35.274 ( -4.947 0.000 -1.044) 5.056 75.190 ( -3.792 0.000 7.880) 8.745 75.269 ( -3.634 0.000 4.692) 5.935 ======================= Grid point 336 (103/240) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 11.198 0.000 2.382) 11.448 2.776 ( 7.577 0.000 2.821) 8.085 3.254 ( -1.273 0.000 1.042) 1.645 3.499 ( -9.775 0.000 -3.940) 10.539 5.686 ( 19.730 0.000 6.448) 20.757 5.860 ( 13.156 0.000 3.815) 13.698 7.645 ( 4.174 0.000 2.964) 5.119 7.842 ( -1.176 0.000 -0.472) 1.267 9.850 ( 3.678 0.000 -4.233) 5.608 9.854 ( 4.081 0.000 -12.402) 13.056 10.794 ( 3.432 0.000 4.490) 5.651 11.030 ( -3.602 0.000 -2.974) 4.671 12.452 ( 2.755 0.000 7.761) 8.236 12.664 ( -2.631 0.000 2.774) 3.823 13.594 ( 7.499 0.000 -6.493) 9.920 14.054 ( -6.547 0.000 -13.447) 14.956 15.964 ( 0.276 0.000 6.152) 6.159 16.484 ( -16.040 0.000 -2.639) 16.256 31.474 ( 10.911 0.000 0.672) 10.932 31.831 ( -0.529 0.000 -4.442) 4.474 34.964 ( 2.540 0.000 2.971) 3.909 35.180 ( -4.509 0.000 -0.093) 4.510 75.141 ( -1.249 0.000 6.566) 6.684 75.204 ( -2.807 0.000 4.820) 5.578 ======================= Grid point 337 (104/240) ======================= q-point: ( 0.47 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 7.152 0.000 -1.422) 7.292 2.877 ( 1.906 0.000 -0.840) 2.083 3.240 ( 0.725 0.000 2.736) 2.830 3.320 ( -7.356 0.000 0.629) 7.383 5.967 ( 8.417 0.000 5.003) 9.792 6.021 ( 2.850 0.000 4.143) 5.029 7.729 ( 4.108 0.000 1.989) 4.564 7.801 ( -2.958 0.000 0.744) 3.050 9.907 ( 1.750 0.000 -8.057) 8.245 9.911 ( 1.417 0.000 -11.266) 11.355 10.866 ( 3.837 0.000 2.484) 4.570 10.948 ( -4.336 0.000 -0.452) 4.360 12.514 ( 3.538 0.000 6.997) 7.840 12.592 ( -4.136 0.000 5.329) 6.746 13.755 ( 8.290 0.000 -9.463) 12.581 13.914 ( -7.557 0.000 -11.684) 13.915 16.029 ( 6.213 0.000 3.018) 6.907 16.207 ( -11.607 0.000 0.069) 11.608 31.662 ( 7.865 0.000 -0.925) 7.920 31.783 ( -4.271 0.000 -2.634) 5.018 35.023 ( 3.323 0.000 2.041) 3.900 35.095 ( -3.981 0.000 0.989) 4.102 75.135 ( 0.500 0.000 5.750) 5.771 75.158 ( -1.787 0.000 5.191) 5.490 ======================= Grid point 345 (105/240) ======================= q-point: ( 0.00 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 0.000 9.326 19.856) 21.937 1.298 ( 0.000 -6.161 28.986) 29.633 2.360 ( 0.000 22.819 36.690) 43.207 2.512 ( 0.000 -0.358 -5.050) 5.063 3.434 ( 0.000 2.899 -4.774) 5.585 4.615 ( 0.000 2.658 -2.325) 3.532 7.690 ( 0.000 -8.109 12.083) 14.552 8.019 ( 0.000 2.033 7.187) 7.469 8.707 ( 0.000 -3.269 -9.475) 10.023 8.837 ( 0.000 -0.620 -4.110) 4.156 10.600 ( 0.000 1.195 12.136) 12.194 11.441 ( 0.000 5.213 -6.200) 8.100 11.819 ( 0.000 -1.719 1.009) 1.993 12.084 ( 0.000 0.064 -2.649) 2.650 13.613 ( 0.000 0.549 -0.007) 0.549 14.262 ( 0.000 -4.760 -8.725) 9.939 17.031 ( 0.000 -21.188 17.640) 27.570 18.370 ( 0.000 8.736 -16.816) 18.950 30.282 ( 0.000 1.067 4.239) 4.371 30.907 ( 0.000 -0.588 -4.468) 4.507 34.961 ( 0.000 6.307 2.406) 6.750 35.774 ( 0.000 -4.336 -5.429) 6.948 75.570 ( 0.000 3.679 11.119) 11.712 77.382 ( 0.000 45.399 -32.137) 55.622 ======================= Grid point 346 (106/240) ======================= q-point: ( 0.07 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 9.495 -1.149 22.574) 24.516 1.492 ( 21.366 4.016 20.337) 29.770 2.449 ( 10.732 19.648 31.862) 38.941 2.738 ( 20.875 -0.115 -4.823) 21.425 3.442 ( 1.075 3.082 -3.636) 4.886 4.595 ( -1.764 2.207 -1.746) 3.321 7.625 ( -5.228 -6.586 12.228) 14.840 7.923 ( -5.875 7.043 6.693) 11.355 8.873 ( 13.076 -7.110 -8.290) 17.037 9.021 ( 15.536 -1.716 -7.892) 17.510 10.571 ( -2.241 0.112 11.199) 11.422 11.343 ( -7.982 4.945 -4.676) 10.489 11.889 ( 5.897 -1.797 0.177) 6.168 12.172 ( 7.844 -0.207 -3.805) 8.720 13.595 ( -1.726 0.782 0.350) 1.927 14.288 ( 1.995 -5.096 -10.230) 11.602 16.917 ( -10.562 -16.762 19.121) 27.534 18.257 ( -10.489 7.265 -14.279) 19.149 30.336 ( 5.355 1.088 4.222) 6.906 31.036 ( 11.334 -2.448 -7.671) 13.903 34.952 ( -0.867 5.723 2.880) 6.465 35.716 ( -5.163 -3.340 -4.005) 7.338 75.544 ( -2.508 3.519 10.835) 11.665 77.006 ( -32.025 44.000 -16.445) 56.851 ======================= Grid point 347 (107/240) ======================= q-point: ( 0.13 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 12.717 -4.010 18.857) 23.095 1.902 ( 16.996 10.538 18.761) 27.421 2.828 ( 25.033 9.391 16.456) 31.395 3.246 ( 27.217 -0.835 -7.286) 28.188 3.505 ( 7.293 4.523 1.854) 8.780 4.564 ( -0.534 0.991 0.266) 1.157 7.536 ( -3.148 -2.461 10.869) 11.580 7.839 ( -2.675 5.479 4.091) 7.342 9.169 ( 15.516 -5.880 -6.412) 17.789 9.318 ( 12.854 -2.462 -9.890) 16.404 10.542 ( -0.204 -1.902 9.521) 9.711 11.190 ( -6.327 4.860 -3.172) 8.585 12.022 ( 7.092 -2.784 0.402) 7.629 12.351 ( 9.256 0.883 -6.128) 11.135 13.547 ( -2.915 0.952 1.442) 3.389 14.315 ( 0.293 -5.502 -12.537) 13.694 16.659 ( -14.206 -9.570 19.971) 26.310 17.987 ( -16.055 4.202 -10.950) 19.882 30.489 ( 9.774 1.130 4.118) 10.666 31.286 ( 12.612 -4.160 -10.416) 16.878 34.932 ( -1.028 4.331 3.660) 5.763 35.597 ( -6.238 -1.960 -2.511) 7.004 75.475 ( -4.280 3.203 10.076) 11.406 76.350 ( -30.137 36.093 0.431) 47.023 ======================= Grid point 348 (108/240) ======================= q-point: ( 0.20 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 14.232 -3.590 13.383) 19.863 2.187 ( 12.669 10.857 16.827) 23.697 3.193 ( 8.096 0.304 -1.707) 8.280 3.704 ( 16.976 -0.027 -9.371) 19.391 3.877 ( 29.464 6.401 11.168) 32.153 4.640 ( 10.651 -1.777 4.311) 11.627 7.500 ( -0.665 -1.090 8.293) 8.391 7.809 ( -0.513 1.732 1.803) 2.553 9.442 ( 11.048 -4.591 -7.005) 13.864 9.527 ( 8.477 -0.664 -7.387) 11.264 10.569 ( 2.801 -2.404 8.361) 9.139 11.117 ( -0.888 5.023 -3.046) 5.942 12.166 ( 7.331 -2.894 2.092) 8.154 12.517 ( 7.138 2.563 -7.361) 10.569 13.490 ( -2.605 0.897 2.319) 3.602 14.293 ( -2.376 -5.510 -13.997) 15.229 16.383 ( -13.106 -5.069 17.942) 22.790 17.634 ( -19.107 2.042 -8.862) 21.161 30.714 ( 12.614 1.163 3.794) 13.224 31.513 ( 10.007 -3.930 -9.739) 14.507 34.915 ( -0.540 2.810 4.013) 4.929 35.477 ( -5.790 -1.268 -2.083) 6.283 75.381 ( -4.953 3.054 9.047) 10.757 75.858 ( -19.547 25.007 5.007) 32.133 ======================= Grid point 349 (109/240) ======================= q-point: ( 0.27 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 14.042 -2.438 8.849) 16.776 2.422 ( 10.960 7.281 12.371) 18.060 3.257 ( 0.588 -1.474 -3.279) 3.643 3.831 ( -2.054 2.407 -9.454) 9.970 4.547 ( 34.526 2.385 10.582) 36.190 5.002 ( 23.025 -4.672 5.092) 24.040 7.505 ( 1.059 -1.703 5.922) 6.252 7.810 ( 0.379 -1.301 0.309) 1.390 9.605 ( 5.790 -3.299 -7.972) 10.390 9.667 ( 5.901 -1.194 -5.196) 7.953 10.643 ( 4.341 -0.827 7.497) 8.703 11.135 ( 1.853 5.758 -4.170) 7.347 12.306 ( 6.392 -1.051 4.666) 7.983 12.632 ( 4.423 2.491 -6.009) 7.866 13.456 ( -0.446 0.991 1.277) 1.677 14.228 ( -3.961 -4.877 -14.732) 16.016 16.153 ( -9.726 -2.682 14.414) 17.595 17.240 ( -20.156 1.174 -7.109) 21.405 30.978 ( 13.623 1.149 3.138) 14.027 31.682 ( 6.915 -2.925 -7.831) 10.849 34.913 ( 0.298 1.547 3.900) 4.206 35.367 ( -5.323 -1.021 -1.734) 5.691 75.285 ( -4.562 3.099 7.942) 9.669 75.552 ( -11.801 15.298 5.129) 19.990 ======================= Grid point 350 (110/240) ======================= q-point: ( 0.33 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 13.143 -1.280 5.149) 14.173 2.619 ( 8.796 3.053 7.715) 12.092 3.250 ( -1.003 -2.373 -1.683) 3.077 3.714 ( -8.400 2.783 -6.141) 10.772 5.180 ( 28.249 -1.026 7.991) 29.376 5.454 ( 20.814 -5.865 4.288) 22.046 7.542 ( 2.709 -2.755 4.185) 5.696 7.816 ( -0.040 -3.169 -0.349) 3.189 9.691 ( 3.357 -4.568 -6.718) 8.790 9.772 ( 4.740 -1.889 -6.920) 8.598 10.733 ( 4.661 1.589 6.270) 7.973 11.159 ( 0.117 7.345 -4.830) 8.792 12.407 ( 3.564 0.984 6.841) 7.776 12.693 ( 1.609 1.625 -2.081) 3.092 13.485 ( 3.610 0.884 -2.383) 4.415 14.142 ( -4.673 -3.373 -14.664) 15.756 16.005 ( -4.926 -1.147 10.614) 11.758 16.847 ( -19.024 1.022 -5.066) 19.713 31.245 ( 12.895 1.043 2.121) 13.110 31.787 ( 3.579 -1.842 -5.846) 7.098 34.928 ( 1.279 0.609 3.478) 3.755 35.265 ( -4.923 -0.945 -1.053) 5.122 75.206 ( -3.295 2.830 6.904) 8.157 75.368 ( -7.128 8.483 4.830) 12.087 ======================= Grid point 351 (111/240) ======================= q-point: ( 0.40 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 11.424 -0.499 1.706) 11.561 2.768 ( 6.051 -0.656 3.246) 6.898 3.225 ( -1.280 -2.636 0.644) 3.000 3.527 ( -9.886 2.526 -2.591) 10.528 5.649 ( 18.512 -3.749 6.129) 19.858 5.795 ( 12.988 -6.428 4.079) 15.055 7.609 ( 3.893 -3.561 2.949) 6.044 7.803 ( -1.335 -3.921 -0.111) 4.144 9.749 ( 2.452 -6.737 -6.959) 9.991 9.854 ( 3.388 -3.090 -8.424) 9.591 10.824 ( 4.353 4.023 4.023) 7.163 11.136 ( -2.278 9.258 -3.451) 10.140 12.456 ( 1.835 0.616 7.391) 7.640 12.691 ( -1.683 2.509 2.224) 3.751 13.598 ( 7.330 0.435 -6.667) 9.918 14.041 ( -5.561 -1.379 -13.654) 14.808 15.962 ( 0.630 -0.125 6.977) 7.007 16.496 ( -15.948 1.152 -2.512) 16.186 31.482 ( 10.747 0.798 0.802) 10.807 31.822 ( -0.081 -0.884 -4.016) 4.113 34.964 ( 2.264 -0.052 2.829) 3.624 35.171 ( -4.469 -0.885 -0.092) 4.556 75.157 ( -1.533 2.052 6.039) 6.560 75.256 ( -4.264 4.665 4.891) 7.992 ======================= Grid point 352 (112/240) ======================= q-point: ( 0.47 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 6.159 -0.956 -1.439) 6.397 2.853 ( 2.148 -2.475 -0.760) 3.364 3.214 ( 0.581 -2.034 2.869) 3.564 3.347 ( -6.993 2.146 1.371) 7.442 5.909 ( 7.546 -5.704 4.909) 10.657 5.958 ( 3.205 -6.335 4.314) 8.308 7.689 ( 3.823 -4.191 1.864) 5.971 7.761 ( -2.754 -3.806 0.786) 4.763 9.785 ( 1.024 -8.202 -8.122) 11.588 9.901 ( 1.246 -4.279 -8.758) 9.827 10.898 ( 2.618 5.595 0.493) 6.197 11.085 ( -2.169 10.611 -0.055) 10.831 12.488 ( 1.219 -1.099 6.676) 6.875 12.648 ( -1.875 4.196 4.865) 6.692 13.754 ( 7.720 -0.057 -9.801) 12.476 13.919 ( -6.595 0.364 -11.873) 13.586 16.028 ( 5.751 0.126 3.454) 6.710 16.224 ( -10.990 1.545 0.568) 11.112 31.665 ( 7.534 0.344 -0.724) 7.576 31.783 ( -3.843 -0.060 -2.300) 4.479 35.018 ( 3.146 -0.494 1.980) 3.750 35.088 ( -3.883 -0.749 0.974) 4.073 75.143 ( -0.077 1.293 5.344) 5.499 75.195 ( -1.782 3.162 5.259) 6.390 ======================= Grid point 360 (113/240) ======================= q-point: ( 0.00 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 0.000 9.251 14.801) 17.455 1.394 ( 0.000 13.468 13.692) 19.206 2.500 ( 0.000 -0.883 -4.655) 4.738 2.798 ( 0.000 19.353 22.216) 29.464 3.539 ( 0.000 9.000 -0.668) 9.025 4.686 ( 0.000 4.535 2.092) 4.995 7.553 ( 0.000 -5.438 13.958) 14.980 8.074 ( 0.000 3.571 6.060) 7.034 8.582 ( 0.000 -8.962 -7.745) 11.844 8.819 ( 0.000 -1.153 -4.242) 4.396 10.676 ( 0.000 6.196 8.111) 10.207 11.528 ( 0.000 3.304 -10.132) 10.657 11.776 ( 0.000 -2.546 1.572) 2.992 12.083 ( 0.000 -0.262 -2.560) 2.573 13.628 ( 0.000 0.574 -1.123) 1.262 14.133 ( 0.000 -7.864 -11.660) 14.064 16.668 ( 0.000 -15.158 27.465) 31.370 18.461 ( 0.000 0.815 -19.461) 19.478 30.312 ( 0.000 1.934 3.915) 4.366 30.890 ( 0.000 -1.128 -4.147) 4.297 35.083 ( 0.000 5.538 -1.325) 5.695 35.677 ( 0.000 -5.141 -3.853) 6.425 75.793 ( 0.000 18.405 11.102) 21.494 78.132 ( 0.000 27.641 -42.963) 51.087 ======================= Grid point 361 (114/240) ======================= q-point: ( 0.07 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 6.417 8.347 13.068) 16.782 1.663 ( 22.936 11.557 12.796) 28.695 2.702 ( 17.980 0.353 -2.904) 18.217 2.853 ( 6.924 14.990 16.497) 23.340 3.556 ( 2.055 9.677 1.078) 9.951 4.656 ( -2.747 3.998 2.528) 5.470 7.522 ( -2.301 -4.158 13.270) 14.095 8.045 ( -3.378 5.614 4.850) 8.152 8.699 ( 12.047 -10.476 -7.417) 17.604 8.973 ( 13.338 -2.347 -4.765) 14.357 10.629 ( -3.913 5.662 7.836) 10.430 11.433 ( -7.648 3.850 -8.124) 11.803 11.841 ( 5.083 -3.129 0.273) 5.975 12.162 ( 7.547 -0.873 -3.431) 8.336 13.621 ( -0.880 1.619 -0.943) 2.070 14.148 ( 1.247 -8.668 -12.214) 15.029 16.612 ( -5.485 -13.444 26.582) 30.289 18.343 ( -11.302 1.226 -17.458) 20.833 30.366 ( 5.406 1.970 3.907) 6.955 30.984 ( 8.659 -2.696 -5.400) 10.554 35.066 ( -1.673 5.306 -0.606) 5.596 35.638 ( -3.635 -4.327 -3.366) 6.578 75.760 ( -3.198 17.793 10.717) 21.016 77.775 ( -32.230 30.633 -31.081) 54.251 ======================= Grid point 362 (115/240) ======================= q-point: ( 0.13 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 11.132 5.496 9.955) 15.913 2.126 ( 20.111 12.298 14.106) 27.471 2.995 ( 12.278 5.714 4.848) 14.384 3.226 ( 26.469 -0.980 -5.515) 27.056 3.660 ( 10.462 11.756 7.408) 17.394 4.594 ( -2.878 2.112 3.826) 5.233 7.483 ( -1.470 -2.991 11.945) 12.401 7.953 ( -5.300 5.675 2.782) 8.249 9.004 ( 16.635 -10.843 -6.337) 20.843 9.270 ( 14.855 -1.531 -6.192) 16.166 10.561 ( -2.002 4.162 7.392) 8.716 11.287 ( -5.886 4.766 -6.481) 9.968 11.953 ( 6.228 -4.260 0.378) 7.555 12.354 ( 10.850 -0.692 -5.875) 12.358 13.586 ( -2.590 3.049 0.185) 4.005 14.165 ( 0.039 -9.571 -13.281) 16.371 16.462 ( -9.175 -9.740 24.182) 27.637 18.046 ( -17.623 1.331 -13.740) 22.386 30.520 ( 9.836 2.051 3.842) 10.757 31.195 ( 11.636 -4.799 -6.927) 14.367 35.024 ( -2.363 4.560 0.895) 5.213 35.548 ( -5.109 -2.987 -2.720) 6.514 75.671 ( -5.494 16.049 9.688) 19.535 77.040 ( -37.641 31.082 -12.548) 50.402 ======================= Grid point 363 (116/240) ======================= q-point: ( 0.20 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 13.330 2.482 6.785) 15.162 2.424 ( 10.807 13.181 15.423) 22.987 3.178 ( 4.748 -2.150 -6.123) 8.041 3.718 ( 19.951 1.324 -6.629) 21.065 4.035 ( 25.869 9.323 10.803) 29.543 4.594 ( 5.345 -2.722 6.383) 8.760 7.462 ( -0.752 -3.010 10.164) 10.627 7.853 ( -4.495 2.585 1.567) 5.416 9.305 ( 12.833 -9.517 -5.614) 16.934 9.517 ( 9.300 0.395 -7.245) 11.795 10.571 ( 3.070 3.167 7.101) 8.359 11.226 ( -0.088 5.815 -5.988) 8.348 12.094 ( 7.985 -4.590 1.733) 9.372 12.559 ( 9.000 1.349 -7.816) 11.996 13.529 ( -2.755 3.346 1.575) 4.612 14.145 ( -1.928 -9.436 -14.258) 17.206 16.267 ( -9.893 -6.235 20.830) 23.888 17.667 ( -20.107 0.874 -10.559) 22.727 30.747 ( 12.636 2.112 3.604) 13.309 31.421 ( 10.660 -5.180 -6.901) 13.715 34.979 ( -1.961 3.391 2.130) 4.459 35.443 ( -5.308 -2.178 -2.341) 6.197 75.550 ( -6.474 13.444 8.331) 17.089 76.366 ( -29.332 24.971 -2.014) 38.574 ======================= Grid point 364 (117/240) ======================= q-point: ( 0.27 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 13.748 0.155 4.297) 14.405 2.593 ( 6.682 9.851 12.730) 17.428 3.212 ( -0.256 -2.948 -5.529) 6.271 3.898 ( -1.008 4.361 -5.619) 7.184 4.603 ( 29.420 2.975 8.832) 30.861 4.874 ( 20.747 -8.265 6.100) 23.151 7.453 ( -0.032 -3.795 7.800) 8.675 7.780 ( -2.819 -1.460 1.107) 3.362 9.502 ( 6.877 -7.634 -5.502) 11.655 9.642 ( 4.066 -0.532 -7.236) 8.317 10.670 ( 6.370 4.025 6.485) 9.941 11.267 ( 3.280 7.242 -6.371) 10.188 12.268 ( 9.051 -3.030 3.884) 10.305 12.692 ( 4.228 3.298 -7.025) 8.838 13.493 ( -0.543 2.969 0.946) 3.163 14.097 ( -2.559 -8.277 -14.981) 17.306 16.089 ( -7.568 -3.545 17.009) 18.952 17.261 ( -20.367 0.692 -7.904) 21.858 31.010 ( 13.544 2.077 3.084) 14.045 31.609 ( 8.134 -4.280 -5.824) 10.881 34.950 ( -0.933 2.092 2.729) 3.562 35.338 ( -5.162 -1.851 -1.845) 5.786 75.422 ( -6.256 10.398 7.019) 14.019 75.878 ( -19.991 16.936 2.256) 26.298 ======================= Grid point 365 (118/240) ======================= q-point: ( 0.33 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 13.198 -1.383 2.367) 13.480 2.699 ( 4.033 4.723 8.201) 10.287 3.192 ( -1.366 -3.080 -2.309) 4.084 3.782 ( -8.901 3.917 -2.424) 10.023 5.147 ( 24.300 -2.532 6.549) 25.294 5.297 ( 19.952 -9.700 4.821) 22.703 7.466 ( 1.386 -5.210 5.316) 7.571 7.736 ( -1.714 -4.437 0.960) 4.853 9.585 ( 1.979 -6.644 -5.470) 8.831 9.709 ( 2.972 -3.556 -7.102) 8.480 10.808 ( 7.294 6.043 5.062) 10.740 11.324 ( 1.939 8.855 -6.202) 10.984 12.422 ( 5.556 0.261 6.155) 8.296 12.740 ( 1.220 3.104 -3.565) 4.882 13.516 ( 3.027 2.447 -2.745) 4.763 14.050 ( -2.243 -5.920 -15.021) 16.300 15.979 ( -3.258 -1.337 12.984) 13.453 16.868 ( -18.795 1.008 -5.219) 19.532 31.274 ( 12.654 1.866 2.250) 12.987 31.739 ( 4.846 -2.901 -4.393) 7.156 34.943 ( 0.315 0.899 2.795) 2.953 35.239 ( -4.847 -1.721 -1.062) 5.252 75.308 ( -5.083 7.378 6.010) 10.788 75.557 ( -12.601 10.241 3.843) 16.687 ======================= Grid point 366 (119/240) ======================= q-point: ( 0.40 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 11.502 -2.346 0.539) 11.751 2.756 ( 1.835 -0.610 3.136) 3.685 3.170 ( -0.600 -2.466 1.630) 3.017 3.582 ( -10.652 2.787 0.194) 11.013 5.547 ( 15.570 -6.598 5.217) 17.697 5.628 ( 12.721 -10.189 4.538) 16.919 7.508 ( 2.731 -6.881 3.246) 8.084 7.704 ( -1.634 -5.667 0.963) 5.976 9.607 ( 0.657 -7.599 -5.801) 9.582 9.757 ( 1.707 -5.967 -6.813) 9.216 10.952 ( 6.922 8.512 2.375) 11.226 11.334 ( -0.972 10.183 -4.316) 11.102 12.481 ( 1.088 1.907 6.747) 7.096 12.749 ( -0.402 3.246 0.983) 3.415 13.615 ( 6.639 1.434 -7.374) 10.025 14.000 ( -3.033 -2.802 -14.118) 14.709 15.963 ( 1.688 0.409 8.895) 9.063 16.524 ( -15.589 1.567 -2.116) 15.809 31.504 ( 10.287 1.411 1.142) 10.446 31.799 ( 1.056 -1.480 -2.911) 3.432 34.962 ( 1.557 -0.082 2.466) 2.918 35.147 ( -4.334 -1.580 -0.078) 4.614 75.225 ( -3.059 4.812 5.315) 7.796 75.363 ( -7.121 5.938 4.508) 10.310 ======================= Grid point 367 (120/240) ======================= q-point: ( 0.47 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 1.415 -4.189 -0.475) 4.447 2.788 ( 4.734 -3.210 -1.285) 5.862 3.179 ( 1.508 -1.240 4.137) 4.575 3.389 ( -7.338 1.984 2.900) 8.136 5.760 ( 5.800 -9.154 4.581) 11.766 5.792 ( 3.786 -10.089 4.554) 11.699 7.562 ( 2.154 -8.698 1.712) 9.122 7.671 ( -1.473 -5.178 1.380) 5.557 9.616 ( 0.282 -8.674 -6.390) 10.777 9.778 ( 0.477 -7.376 -6.344) 9.740 11.068 ( 4.005 10.794 -1.555) 11.618 11.297 ( -2.018 10.369 -0.649) 10.583 12.492 ( 0.232 1.441 6.184) 6.354 12.731 ( -0.879 4.238 3.865) 5.802 13.755 ( 6.373 0.210 -10.867) 12.600 13.923 ( -4.378 -0.011 -12.370) 13.121 16.041 ( 5.517 1.288 4.687) 7.353 16.260 ( -10.235 2.083 1.616) 10.569 31.675 ( 6.683 0.631 -0.181) 6.715 31.781 ( -2.759 -0.170 -1.430) 3.112 35.004 ( 2.662 -0.819 1.821) 3.327 35.068 ( -3.596 -1.299 0.940) 3.937 75.188 ( -0.798 3.205 4.795) 5.822 75.267 ( -2.524 4.032 4.951) 6.866 ======================= Grid point 375 (121/240) ======================= q-point: ( 0.00 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 0.000 19.390 -0.699) 19.403 1.659 ( 0.000 13.219 8.294) 15.606 2.476 ( 0.000 -1.677 -4.024) 4.360 3.020 ( 0.000 3.245 -1.157) 3.445 3.822 ( 0.000 19.462 13.288) 23.566 4.780 ( 0.000 4.678 6.884) 8.323 7.478 ( 0.000 -2.467 14.874) 15.077 8.151 ( 0.000 4.179 4.528) 6.162 8.394 ( 0.000 -9.710 -3.658) 10.376 8.793 ( 0.000 -1.487 -4.399) 4.644 10.817 ( 0.000 7.935 0.331) 7.942 11.564 ( 0.000 0.346 -11.976) 11.981 11.727 ( 0.000 -2.441 2.312) 3.362 12.074 ( 0.000 -0.651 -2.423) 2.508 13.594 ( 0.000 -5.317 -4.190) 6.769 14.012 ( 0.000 -2.900 -11.336) 11.701 16.439 ( 0.000 -8.848 28.600) 29.937 18.428 ( 0.000 -3.468 -19.044) 19.357 30.354 ( 0.000 2.371 3.435) 4.174 30.864 ( 0.000 -1.493 -3.672) 3.964 35.167 ( 0.000 3.122 -2.399) 3.937 35.585 ( 0.000 -4.141 -3.842) 5.648 76.243 ( 0.000 26.980 9.623) 28.645 78.430 ( 0.000 4.095 -34.172) 34.417 ======================= Grid point 376 (122/240) ======================= q-point: ( 0.07 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 3.743 17.528 -0.023) 17.923 1.900 ( 21.211 12.225 7.524) 25.612 2.680 ( 18.973 -1.863 -4.126) 19.506 3.026 ( 0.952 2.043 -2.408) 3.298 3.842 ( 2.374 18.847 13.447) 23.274 4.741 ( -3.763 4.284 7.097) 9.104 7.459 ( -1.671 -2.460 14.526) 14.827 8.140 ( -2.658 3.884 2.958) 5.559 8.493 ( 11.011 -9.815 -2.173) 14.910 8.940 ( 13.522 -1.209 -4.923) 14.441 10.770 ( -4.177 8.318 0.258) 9.312 11.485 ( -6.366 1.472 -9.789) 11.769 11.771 ( 3.517 -3.931 0.250) 5.281 12.142 ( 6.844 -1.068 -3.021) 7.557 13.622 ( 2.114 -3.145 -3.986) 5.500 14.001 ( -1.033 -4.583 -11.426) 12.354 16.403 ( -3.636 -8.331 27.741) 29.192 18.321 ( -10.424 -2.869 -17.767) 20.798 30.410 ( 5.485 2.421 3.443) 6.914 30.934 ( 6.688 -2.383 -4.040) 8.169 35.148 ( -1.880 3.130 -1.861) 4.098 35.558 ( -2.628 -3.737 -3.641) 5.842 76.194 ( -4.847 25.885 9.297) 27.927 78.144 ( -26.819 7.968 -27.741) 39.400 ======================= Grid point 377 (123/240) ======================= q-point: ( 0.13 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 7.154 13.813 -0.199) 15.557 2.365 ( 22.013 11.880 9.328) 26.697 3.016 ( 5.584 -3.072 -7.066) 9.516 3.213 ( 25.473 -0.672 -3.751) 25.756 3.940 ( 8.333 15.830 13.401) 22.352 4.643 ( -5.591 2.815 7.708) 9.930 7.422 ( -1.902 -3.174 13.800) 14.287 8.043 ( -6.471 3.250 1.614) 7.418 8.789 ( 16.792 -10.111 -0.703) 19.614 9.263 ( 17.004 0.513 -6.551) 18.229 10.689 ( -2.911 8.474 0.212) 8.963 11.365 ( -4.625 3.018 -8.362) 10.021 11.856 ( 5.140 -5.745 -0.287) 7.714 12.332 ( 11.557 -1.347 -5.122) 12.713 13.646 ( -0.213 1.813 -2.436) 3.044 13.976 ( -1.408 -8.370 -12.243) 14.897 16.299 ( -6.522 -6.885 25.534) 27.238 18.038 ( -17.206 -1.850 -14.826) 22.788 30.566 ( 9.937 2.539 3.430) 10.814 31.110 ( 10.338 -3.912 -4.538) 11.948 35.098 ( -2.934 3.031 -0.597) 4.260 35.488 ( -4.216 -2.999 -3.216) 6.092 76.058 ( -8.484 22.845 8.420) 25.783 77.479 ( -37.066 13.601 -15.211) 42.312 ======================= Grid point 378 (124/240) ======================= q-point: ( 0.20 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 9.413 9.041 -0.335) 13.056 2.677 ( 8.962 11.967 10.839) 18.466 3.110 ( 4.509 -4.417 -8.234) 10.375 3.746 ( 23.794 1.277 -4.362) 24.225 4.207 ( 18.559 7.378 10.926) 22.765 4.553 ( -1.525 -0.746 8.837) 8.999 7.385 ( -1.788 -4.661 12.543) 13.500 7.902 ( -7.283 2.291 1.543) 7.789 9.106 ( 14.191 -9.908 -0.742) 17.323 9.543 ( 9.789 1.929 -8.207) 12.919 10.686 ( 2.895 8.163 0.634) 8.684 11.331 ( 1.394 4.681 -7.768) 9.176 11.987 ( 8.306 -6.383 0.846) 10.510 12.569 ( 11.390 -0.114 -7.408) 13.587 13.613 ( -2.574 4.799 -0.106) 5.446 13.947 ( -1.444 -10.200 -13.751) 17.182 16.157 ( -7.366 -4.885 22.617) 24.282 17.663 ( -19.983 -1.179 -11.536) 23.104 30.794 ( 12.668 2.632 3.300) 13.353 31.324 ( 10.799 -4.584 -4.432) 12.542 35.038 ( -2.877 2.620 0.701) 3.954 35.396 ( -4.875 -2.501 -2.682) 6.100 75.869 ( -10.249 18.517 7.251) 22.372 76.760 ( -33.796 14.639 -5.293) 37.209 ======================= Grid point 379 (125/240) ======================= q-point: ( 0.27 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 10.512 4.328 -0.262) 11.371 2.769 ( 1.651 6.647 6.912) 9.731 3.166 ( 0.938 -0.449 -2.282) 2.508 3.988 ( -0.752 4.508 -1.241) 4.735 4.627 ( 22.353 -3.626 7.090) 23.729 4.720 ( 18.566 -4.148 6.801) 20.203 7.353 ( -1.327 -6.332 10.426) 12.270 7.767 ( -6.049 0.260 1.825) 6.323 9.332 ( 8.374 -8.897 -1.858) 12.358 9.649 ( 1.840 0.988 -8.561) 8.812 10.792 ( 7.195 8.103 1.301) 10.914 11.400 ( 4.626 6.167 -7.549) 10.789 12.189 ( 11.625 -4.954 2.838) 12.952 12.749 ( 5.971 2.394 -7.350) 9.767 13.570 ( -1.144 4.736 -0.006) 4.872 13.923 ( -0.794 -9.238 -14.963) 17.603 16.026 ( -5.319 -2.755 19.216) 20.128 17.262 ( -19.951 -0.593 -8.348) 21.635 31.056 ( 13.413 2.586 2.961) 13.978 31.525 ( 9.163 -4.168 -3.714) 10.729 34.989 ( -1.999 1.875 1.604) 3.176 35.298 ( -4.991 -2.277 -1.955) 5.824 75.663 ( -10.143 13.765 6.095) 18.152 76.165 ( -25.694 11.836 0.269) 28.290 ======================= Grid point 380 (126/240) ======================= q-point: ( 0.33 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 10.701 0.183 -0.032) 10.703 2.770 ( -1.315 1.310 2.981) 3.511 3.162 ( -0.814 1.109 2.818) 3.136 3.850 ( -10.453 2.606 2.400) 11.037 5.062 ( 20.145 -7.683 4.320) 21.989 5.120 ( 18.965 -6.401 5.026) 20.637 7.337 ( -0.112 -7.796 7.604) 10.891 7.666 ( -4.109 -2.442 2.123) 5.230 9.441 ( 2.843 -7.530 -3.388) 8.733 9.657 ( -0.351 -1.859 -7.588) 7.820 10.953 ( 8.719 8.432 1.400) 12.210 11.481 ( 2.996 6.929 -6.778) 10.145 12.410 ( 9.241 -1.493 5.205) 10.711 12.807 ( 0.705 3.568 -4.217) 5.569 13.580 ( 2.141 3.948 -3.886) 5.939 13.922 ( 0.710 -6.848 -15.180) 16.669 15.959 ( -1.213 -0.655 15.248) 15.310 16.881 ( -18.029 0.292 -5.118) 18.744 31.315 ( 12.281 2.302 2.375) 12.719 31.680 ( 6.213 -3.069 -2.673) 7.428 34.961 ( -0.717 0.941 2.030) 2.350 35.200 ( -4.713 -2.136 -1.033) 5.277 75.475 ( -8.490 9.410 5.190) 13.696 75.739 ( -17.236 7.982 2.898) 19.214 ======================= Grid point 381 (127/240) ======================= q-point: ( 0.40 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 9.421 -3.362 0.192) 10.005 2.730 ( -2.260 -2.518 0.498) 3.420 3.151 ( 0.049 0.926 5.693) 5.768 3.622 ( -11.739 1.089 3.988) 12.446 5.396 ( 13.009 -8.984 3.719) 16.241 5.433 ( 12.092 -8.828 4.511) 15.637 7.350 ( 1.237 -8.928 4.715) 10.172 7.600 ( -2.646 -4.889 2.387) 6.050 9.466 ( 0.215 -6.548 -4.755) 8.096 9.648 ( -0.442 -4.924 -6.017) 7.787 11.129 ( 8.668 9.209 0.166) 12.648 11.508 ( -0.417 7.449 -4.992) 8.976 12.522 ( 2.292 2.021 6.462) 7.148 12.810 ( -0.089 2.868 0.229) 2.878 13.655 ( 5.251 2.634 -9.026) 10.770 13.936 ( 0.130 -3.614 -14.371) 14.819 15.980 ( 3.212 1.225 10.827) 11.360 16.553 ( -14.813 1.364 -1.565) 14.958 31.535 ( 9.620 1.718 1.559) 9.895 31.767 ( 2.442 -1.699 -1.527) 3.344 34.961 ( 0.673 -0.011 2.019) 2.129 35.112 ( -4.086 -1.907 -0.027) 4.510 75.334 ( -5.543 6.028 4.602) 9.394 75.472 ( -9.808 4.937 4.012) 11.691 ======================= Grid point 382 (128/240) ======================= q-point: ( 0.47 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 0.938 -6.199 0.412) 6.283 2.718 ( 2.454 -4.382 -0.683) 5.069 3.172 ( 1.897 0.616 6.258) 6.568 3.417 ( -7.439 0.748 5.391) 9.218 5.573 ( 4.681 -9.681 3.801) 11.405 5.591 ( 3.804 -9.983 4.273) 11.506 7.376 ( 1.006 -9.621 2.551) 10.004 7.561 ( -1.176 -6.261 2.848) 6.978 9.465 ( -0.073 -6.461 -5.511) 8.492 9.640 ( -0.261 -6.499 -4.923) 8.157 11.281 ( 5.745 10.438 -2.720) 12.221 11.469 ( -2.810 7.295 -1.804) 8.022 12.538 ( 0.068 3.081 5.961) 6.711 12.804 ( -0.380 2.939 3.612) 4.672 13.764 ( 4.566 0.807 -12.568) 13.396 13.916 ( -1.818 -0.674 -12.948) 13.093 16.079 ( 6.124 2.492 6.138) 9.021 16.301 ( -9.945 2.022 2.577) 10.471 31.689 ( 5.634 0.810 0.535) 5.718 31.776 ( -1.452 -0.331 -0.345) 1.528 34.988 ( 1.983 -0.849 1.619) 2.697 35.040 ( -3.144 -1.490 0.910) 3.596 75.260 ( -1.819 4.034 4.236) 6.126 75.342 ( -3.274 3.487 4.490) 6.560 ======================= Grid point 390 (129/240) ======================= q-point: ( 0.00 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 0.000 10.350 4.489) 11.282 2.024 ( 0.000 21.537 -9.821) 23.671 2.435 ( 0.000 -2.538 -3.213) 4.095 2.969 ( 0.000 -7.450 -12.455) 14.513 4.219 ( 0.000 19.665 18.481) 26.986 4.845 ( 0.000 1.354 10.343) 10.432 7.450 ( 0.000 -0.592 16.775) 16.785 8.223 ( 0.000 -7.495 -0.241) 7.499 8.228 ( 0.000 3.510 3.055) 4.653 8.764 ( 0.000 -1.413 -4.516) 4.732 10.969 ( 0.000 7.320 -6.857) 10.030 11.547 ( 0.000 -1.829 -14.168) 14.286 11.686 ( 0.000 -1.689 2.998) 3.441 12.060 ( 0.000 -0.697 -2.278) 2.382 13.435 ( 0.000 -9.308 -8.268) 12.450 14.021 ( 0.000 2.472 -7.958) 8.333 16.312 ( 0.000 -4.490 27.493) 27.857 18.352 ( 0.000 -3.793 -18.655) 19.037 30.399 ( 0.000 2.095 2.918) 3.592 30.835 ( 0.000 -1.424 -3.160) 3.467 35.209 ( 0.000 1.353 -2.368) 2.727 35.520 ( 0.000 -2.574 -4.605) 5.275 76.803 ( 0.000 29.708 6.699) 30.454 78.342 ( 0.000 -11.835 -21.579) 24.612 ======================= Grid point 391 (130/240) ======================= q-point: ( 0.07 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 3.557 17.935 -5.372) 19.057 2.128 ( 17.333 11.772 0.764) 20.967 2.635 ( 18.460 -2.610 -3.425) 18.955 2.966 ( 0.293 -7.298 -12.121) 14.152 4.218 ( 0.046 18.274 17.926) 25.598 4.802 ( -4.106 1.493 10.319) 11.206 7.426 ( -2.249 -0.944 16.555) 16.734 8.163 ( -3.794 -2.447 0.858) 4.595 8.368 ( 11.285 -1.992 2.417) 11.711 8.921 ( 14.649 -0.884 -5.121) 15.543 10.935 ( -3.153 8.193 -6.802) 11.105 11.492 ( -4.904 -0.657 -11.748) 12.747 11.695 ( 1.132 -3.717 0.404) 3.906 12.124 ( 6.459 -0.754 -2.899) 7.120 13.491 ( 4.931 -8.535 -8.642) 13.109 13.992 ( -2.926 2.177 -7.251) 8.116 16.281 ( -3.044 -4.341 26.940) 27.457 18.254 ( -9.568 -3.416 -17.680) 20.391 30.456 ( 5.589 2.153 2.938) 6.672 30.892 ( 5.574 -1.869 -3.189) 6.688 35.191 ( -1.784 1.443 -2.021) 3.058 35.497 ( -2.199 -2.447 -4.393) 5.489 76.728 ( -7.341 28.200 6.582) 29.875 78.125 ( -20.819 -8.673 -18.372) 29.089 ======================= Grid point 392 (131/240) ======================= q-point: ( 0.13 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 3.195 17.132 -7.383) 18.927 2.570 ( 22.700 8.839 5.125) 24.893 2.903 ( 2.664 -8.176 -10.924) 13.902 3.187 ( 26.711 -1.899 -4.216) 27.108 4.230 ( 1.577 13.188 16.312) 21.035 4.693 ( -6.411 1.979 10.112) 12.136 7.368 ( -3.395 -2.169 15.976) 16.476 8.066 ( -5.943 -0.905 1.166) 6.124 8.647 ( 15.681 -4.190 2.938) 16.495 9.276 ( 18.827 0.604 -6.670) 19.983 10.869 ( -2.536 9.540 -6.599) 11.874 11.398 ( -3.260 0.216 -9.582) 10.124 11.741 ( 3.757 -5.593 -1.296) 6.861 12.309 ( 11.663 -0.944 -4.843) 12.664 13.595 ( 4.774 -6.427 -9.263) 12.244 13.910 ( -5.078 1.200 -5.777) 7.784 16.196 ( -5.300 -3.782 25.459) 26.278 17.991 ( -16.338 -2.638 -15.178) 22.456 30.614 ( 10.079 2.300 2.967) 10.755 31.045 ( 9.320 -2.750 -3.121) 10.206 35.142 ( -2.944 1.618 -1.145) 3.549 35.436 ( -3.813 -2.223 -3.825) 5.841 76.523 ( -12.804 24.162 6.232) 28.046 77.580 ( -32.007 -2.355 -11.273) 34.016 ======================= Grid point 393 (132/240) ======================= q-point: ( 0.20 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 4.613 13.022 -6.191) 15.138 2.809 ( 0.739 -1.501 -4.511) 4.811 3.069 ( 13.908 2.822 2.049) 14.339 3.760 ( 27.612 0.091 -3.521) 27.835 4.286 ( 3.482 0.904 14.382) 14.825 4.589 ( -1.641 3.978 8.740) 9.742 7.296 ( -3.720 -4.087 14.859) 15.853 7.932 ( -7.356 0.620 1.660) 7.566 8.951 ( 14.039 -5.719 2.434) 15.354 9.580 ( 10.080 1.669 -8.352) 13.197 10.866 ( 2.599 9.801 -5.834) 11.698 11.396 ( 3.152 1.635 -8.590) 9.295 11.858 ( 8.454 -6.313 -0.221) 10.554 12.562 ( 12.946 -0.494 -7.054) 14.751 13.662 ( 1.674 -2.293 -8.222) 8.699 13.806 ( -4.602 -1.672 -6.270) 7.956 16.083 ( -5.723 -2.722 23.330) 24.175 17.630 ( -19.341 -1.927 -11.938) 22.810 30.844 ( 12.729 2.437 2.930) 13.287 31.247 ( 10.616 -3.312 -2.742) 11.454 35.080 ( -3.185 1.659 -0.099) 3.593 35.351 ( -4.683 -2.100 -3.005) 5.948 76.238 ( -15.368 18.754 5.684) 24.903 76.922 ( -32.706 2.332 -4.468) 33.092 ======================= Grid point 394 (133/240) ======================= q-point: ( 0.27 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 5.673 8.107 -4.443) 10.846 2.782 ( -2.331 -5.057 -6.115) 8.270 3.251 ( 3.782 8.479 8.793) 12.787 4.052 ( -3.310 1.455 4.419) 5.709 4.473 ( 20.441 -8.157 6.114) 22.842 4.723 ( 13.698 1.212 5.323) 14.746 7.227 ( -3.004 -6.006 12.996) 14.628 7.782 ( -7.507 0.934 2.184) 7.874 9.184 ( 9.116 -6.018 0.448) 10.932 9.671 ( 0.159 1.095 -8.896) 8.964 10.964 ( 6.699 8.949 -4.259) 11.962 11.492 ( 5.398 2.986 -7.676) 9.848 12.087 ( 14.157 -5.013 2.026) 15.154 12.783 ( 8.248 1.174 -7.243) 11.040 13.658 ( -1.243 3.399 -3.319) 4.910 13.762 ( 0.267 -6.380 -12.669) 14.188 15.986 ( -3.551 -1.345 20.502) 20.851 17.242 ( -19.165 -1.230 -8.466) 20.987 31.106 ( 13.274 2.432 2.754) 13.773 31.453 ( 9.765 -3.221 -2.050) 10.485 35.021 ( -2.613 1.412 0.803) 3.077 35.254 ( -4.894 -2.058 -2.014) 5.678 75.931 ( -15.048 13.244 5.044) 20.671 76.319 ( -27.249 3.973 0.110) 27.538 ======================= Grid point 395 (134/240) ======================= q-point: ( 0.33 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 6.151 2.906 -2.353) 7.198 2.726 ( -3.233 -5.168 -4.187) 7.395 3.255 ( -2.149 7.659 10.510) 13.181 3.864 ( -12.254 -1.529 8.260) 14.857 4.904 ( 19.987 -6.634 2.371) 21.192 5.029 ( 15.273 -4.017 3.599) 16.197 7.185 ( -1.067 -7.204 10.432) 12.723 7.639 ( -6.751 -0.634 2.708) 7.302 9.314 ( 4.208 -5.209 -2.103) 7.018 9.632 ( -3.149 -0.761 -7.997) 8.628 11.118 ( 8.563 8.031 -2.618) 12.028 11.582 ( 3.299 3.260 -6.516) 7.998 12.370 ( 12.736 -2.257 4.612) 13.732 12.870 ( 0.898 2.722 -3.928) 4.863 13.656 ( 1.310 3.326 -6.957) 7.821 13.801 ( 3.322 -5.144 -13.793) 15.091 15.954 ( 0.532 0.106 16.702) 16.711 16.881 ( -16.921 -0.267 -4.892) 17.616 31.359 ( 11.860 2.174 2.406) 12.296 31.625 ( 7.285 -2.555 -1.185) 7.811 34.979 ( -1.514 0.879 1.395) 2.238 35.159 ( -4.547 -1.963 -0.949) 5.043 75.654 ( -12.445 8.599 4.460) 15.770 75.853 ( -19.475 3.585 2.576) 19.969 ======================= Grid point 396 (135/240) ======================= q-point: ( 0.40 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 5.327 -2.216 -0.144) 5.771 2.659 ( -3.221 -4.396 -1.364) 5.618 3.208 ( -1.749 4.601 9.883) 11.041 3.614 ( -12.180 -2.032 8.450) 14.963 5.233 ( 12.767 -6.764 2.324) 14.634 5.288 ( 10.201 -6.305 3.202) 12.413 7.187 ( 1.185 -7.212 7.446) 10.434 7.516 ( -5.512 -3.710 3.453) 7.488 9.365 ( 1.288 -3.703 -4.191) 5.739 9.570 ( -2.826 -3.170 -6.303) 7.601 11.294 ( 8.794 7.381 -2.149) 11.680 11.617 ( 0.078 3.731 -5.275) 6.462 12.552 ( 5.323 0.981 6.615) 8.547 12.856 ( -1.415 1.768 0.580) 2.338 13.710 ( 3.896 2.677 -12.020) 12.916 13.870 ( 2.871 -2.948 -13.492) 14.105 16.007 ( 4.660 1.475 12.089) 13.039 16.575 ( -13.753 0.881 -1.116) 13.826 31.568 ( 8.893 1.616 1.889) 9.234 31.735 ( 3.686 -1.547 -0.285) 4.007 34.963 ( -0.155 0.169 1.611) 1.627 35.076 ( -3.746 -1.702 0.067) 4.115 75.447 ( -8.189 5.323 4.047) 10.572 75.546 ( -11.406 2.572 3.670) 12.254 ======================= Grid point 397 (136/240) ======================= q-point: ( 0.47 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 0.802 -4.994 1.453) 5.263 2.624 ( 0.136 -5.009 0.883) 5.088 3.203 ( 1.071 2.470 8.592) 9.004 3.412 ( -6.922 -1.378 8.359) 10.940 5.406 ( 4.599 -6.982 2.613) 8.760 5.423 ( 3.217 -7.096 3.167) 8.410 7.220 ( 1.501 -5.877 4.653) 7.645 7.429 ( -2.800 -7.101 4.731) 8.981 9.378 ( 0.238 -2.419 -5.478) 5.993 9.529 ( -1.107 -5.002 -4.829) 7.040 11.454 ( 6.737 6.966 -3.344) 10.251 11.581 ( -3.424 4.352 -3.407) 6.502 12.605 ( 0.839 3.752 6.288) 7.370 12.833 ( -0.678 -0.120 4.287) 4.342 13.788 ( 3.033 1.628 -14.233) 14.644 13.898 ( 0.128 -1.156 -13.380) 13.430 16.130 ( 7.219 2.577 7.186) 10.507 16.336 ( -10.014 1.509 3.091) 10.588 31.705 ( 4.696 0.817 1.201) 4.916 31.768 ( -0.321 -0.468 0.599) 0.825 34.974 ( 1.255 -0.573 1.435) 1.991 35.013 ( -2.598 -1.235 0.903) 3.015 75.336 ( -2.839 3.572 3.831) 5.958 75.396 ( -3.744 1.930 4.054) 5.846 ======================= Grid point 405 (137/240) ======================= q-point: ( 0.00 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 0.000 4.614 2.325) 5.167 2.387 ( 0.000 -1.874 -2.446) 3.081 2.423 ( 0.000 19.019 -13.815) 23.507 2.756 ( 0.000 -14.098 -15.484) 20.941 4.532 ( 0.000 11.066 18.990) 21.979 4.822 ( 0.000 -3.048 11.943) 12.326 7.448 ( 0.000 0.110 18.675) 18.675 8.118 ( 0.000 -2.975 1.362) 3.272 8.278 ( 0.000 1.420 2.141) 2.569 8.743 ( 0.000 -0.629 -4.565) 4.608 11.080 ( 0.000 3.411 -10.871) 11.394 11.510 ( 0.000 -1.411 -16.511) 16.572 11.663 ( 0.000 -0.596 3.410) 3.462 12.050 ( 0.000 -0.299 -2.185) 2.206 13.293 ( 0.000 -4.226 -9.109) 10.041 14.065 ( 0.000 1.423 -6.719) 6.868 16.257 ( 0.000 -1.328 26.693) 26.726 18.297 ( 0.000 -1.564 -18.531) 18.597 30.429 ( 0.000 0.877 2.558) 2.704 30.814 ( 0.000 -0.627 -2.805) 2.874 35.225 ( 0.000 0.344 -2.152) 2.179 35.486 ( 0.000 -0.859 -5.260) 5.329 77.341 ( 0.000 22.771 2.368) 22.893 78.033 ( 0.000 -16.891 -11.614) 20.498 ======================= Grid point 406 (138/240) ======================= q-point: ( 0.07 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 16.596 4.889 2.201) 17.441 2.422 ( 1.527 16.113 -12.282) 20.318 2.588 ( 15.798 -1.827 -4.004) 16.400 2.768 ( 3.400 -12.174 -14.070) 18.914 4.504 ( -2.846 9.713 18.775) 21.329 4.790 ( -3.077 -2.179 11.579) 12.178 7.418 ( -2.853 -0.060 18.404) 18.624 8.095 ( -2.146 -2.592 1.396) 3.644 8.374 ( 9.107 0.878 2.728) 9.547 8.907 ( 15.441 -0.426 -5.095) 16.266 11.062 ( -1.674 4.022 -11.019) 11.848 11.471 ( -4.269 -0.980 -13.641) 14.327 11.639 ( -0.900 -1.689 0.772) 2.063 12.114 ( 6.406 -0.235 -3.042) 7.095 13.358 ( 5.766 -4.007 -9.521) 11.830 14.034 ( -3.103 1.414 -5.890) 6.806 16.228 ( -2.866 -1.296 26.311) 26.498 18.204 ( -9.130 -1.444 -17.651) 19.925 30.487 ( 5.684 0.909 2.582) 6.309 30.866 ( 5.064 -0.769 -2.712) 5.795 35.208 ( -1.638 0.396 -1.910) 2.547 35.465 ( -2.103 -0.845 -4.995) 5.485 77.236 ( -10.345 21.281 2.636) 23.809 77.868 ( -16.053 -14.884 -9.997) 24.066 ======================= Grid point 407 (139/240) ======================= q-point: ( 0.13 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 0.955 16.058 -10.918) 19.441 2.658 ( 8.781 -5.882 -6.736) 12.533 2.737 ( 14.340 -3.118 -3.025) 14.984 3.152 ( 29.055 -1.286 -3.771) 29.327 4.420 ( -5.598 5.521 18.279) 19.899 4.714 ( -4.087 0.259 10.357) 11.137 7.341 ( -4.702 -0.655 17.665) 18.292 8.034 ( -4.090 -1.448 1.498) 4.590 8.610 ( 13.689 -0.455 3.753) 14.201 9.284 ( 19.954 0.162 -6.527) 20.995 11.028 ( -1.248 5.511 -11.132) 12.484 11.376 ( -3.373 -1.750 -8.770) 9.558 11.661 ( 3.042 -2.239 -2.900) 4.762 12.296 ( 11.589 -0.298 -5.138) 12.680 13.484 ( 6.063 -3.532 -10.793) 12.873 13.947 ( -5.418 1.420 -3.833) 6.787 16.149 ( -4.797 -1.143 25.239) 25.716 17.951 ( -15.807 -1.180 -15.302) 22.032 30.648 ( 10.223 0.995 2.628) 10.602 31.006 ( 8.756 -1.075 -2.398) 9.141 35.163 ( -2.780 0.516 -1.269) 3.099 35.406 ( -3.754 -0.835 -4.263) 5.741 76.950 ( -17.714 17.477 3.230) 25.094 77.435 ( -26.236 -10.278 -6.163) 28.844 ======================= Grid point 408 (140/240) ======================= q-point: ( 0.20 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 0.747 13.696 -10.045) 17.001 2.659 ( -1.415 -11.337 -11.365) 16.115 3.159 ( 19.088 3.518 6.385) 20.433 3.754 ( 29.779 -0.369 -3.070) 29.939 4.282 ( -7.937 -0.462 17.775) 19.472 4.659 ( -0.314 2.255 7.923) 8.244 7.239 ( -5.300 -1.568 16.445) 17.349 7.933 ( -6.039 -0.210 1.741) 6.289 8.883 ( 13.006 -1.546 3.559) 13.572 9.602 ( 10.316 0.600 -8.221) 13.205 11.032 ( 1.997 5.913 -10.439) 12.162 11.390 ( 4.807 -1.558 -7.003) 8.636 11.768 ( 8.419 -2.410 -1.808) 8.942 12.554 ( 13.543 -0.241 -7.216) 15.348 13.582 ( 3.755 -3.008 -12.774) 13.650 13.831 ( -5.779 1.464 -1.694) 6.198 16.049 ( -4.890 -0.799 23.554) 24.069 17.600 ( -18.870 -0.911 -12.079) 22.424 30.881 ( 12.825 1.092 2.631) 13.138 31.200 ( 10.400 -1.318 -1.835) 10.642 35.102 ( -3.170 0.614 -0.430) 3.257 35.320 ( -4.698 -0.865 -3.216) 5.759 76.560 ( -20.743 12.782 3.752) 24.652 76.875 ( -28.806 -5.651 -2.083) 29.429 ======================= Grid point 409 (141/240) ======================= q-point: ( 0.27 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 0.986 9.823 -7.845) 12.610 2.631 ( -1.338 -9.322 -8.701) 12.821 3.410 ( 5.441 5.703 10.303) 12.973 4.037 ( -9.244 -1.994 12.193) 15.430 4.370 ( 24.234 -2.284 2.099) 24.431 4.739 ( 8.606 0.437 4.541) 9.740 7.141 ( -4.226 -2.423 14.697) 15.483 7.796 ( -7.634 0.388 2.174) 7.947 9.106 ( 9.139 -1.986 1.332) 9.447 9.687 ( -0.712 0.430 -8.844) 8.883 11.108 ( 5.433 4.744 -8.379) 11.056 11.515 ( 6.173 -0.185 -6.127) 8.700 12.015 ( 15.866 -2.006 1.154) 16.033 12.796 ( 9.709 0.295 -7.275) 12.136 13.638 ( 2.156 -2.447 -15.059) 15.409 13.741 ( -2.487 1.371 -1.449) 3.188 15.971 ( -2.587 -0.318 21.043) 21.204 17.222 ( -18.575 -0.620 -8.477) 20.427 31.143 ( 13.209 1.129 2.543) 13.499 31.406 ( 9.999 -1.349 -1.089) 10.148 35.042 ( -2.832 0.604 0.389) 2.921 35.224 ( -4.892 -0.905 -2.028) 5.373 76.151 ( -19.767 8.436 3.978) 21.857 76.327 ( -25.594 -2.457 0.947) 25.729 ======================= Grid point 410 (142/240) ======================= q-point: ( 0.33 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 0.866 4.645 -4.780) 6.721 2.607 ( -1.075 -5.911 -5.094) 7.877 3.405 ( -4.309 5.945 12.251) 14.283 3.802 ( -12.785 -3.572 13.325) 18.809 4.826 ( 20.022 -1.627 0.450) 20.093 4.966 ( 12.723 -1.996 2.609) 13.140 7.082 ( -1.472 -2.892 12.431) 12.848 7.634 ( -8.518 -0.074 2.831) 8.976 9.246 ( 5.110 -1.766 -1.688) 5.664 9.624 ( -4.665 -0.205 -8.148) 9.392 11.240 ( 7.657 3.788 -5.699) 10.269 11.613 ( 3.674 0.361 -5.411) 6.550 12.335 ( 14.621 -1.070 4.372) 15.298 12.907 ( 1.375 1.021 -3.526) 3.920 13.680 ( 2.418 -0.677 -16.045) 16.241 13.752 ( 3.296 0.031 -5.910) 6.766 15.958 ( 1.493 0.190 17.343) 17.408 16.875 ( -16.086 -0.205 -4.744) 16.772 31.393 ( 11.561 1.038 2.343) 11.841 31.587 ( 7.878 -1.141 -0.283) 7.965 34.993 ( -1.943 0.450 1.019) 2.240 35.130 ( -4.425 -0.887 -0.856) 4.594 75.793 ( -15.900 5.121 3.939) 17.163 75.878 ( -19.249 -0.800 2.689) 19.453 ======================= Grid point 411 (143/240) ======================= q-point: ( 0.40 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 0.880 -0.233 -0.965) 1.326 2.583 ( -1.562 -2.625 -0.948) 3.198 3.303 ( -4.569 4.007 11.654) 13.143 3.556 ( -11.418 -3.019 11.945) 16.798 5.149 ( 12.348 -1.871 1.031) 12.532 5.196 ( 9.526 -2.787 2.179) 10.162 7.088 ( 2.036 -2.699 9.782) 10.350 7.463 ( -8.415 -1.512 3.847) 9.375 9.321 ( 2.755 -1.007 -3.915) 4.892 9.527 ( -4.669 -1.160 -6.886) 8.400 11.400 ( 7.999 3.078 -4.034) 9.473 11.659 ( 0.804 0.845 -4.987) 5.121 12.562 ( 8.156 0.165 6.863) 10.661 12.878 ( -3.358 0.559 1.223) 3.617 13.746 ( 4.071 0.879 -16.513) 17.030 13.832 ( 3.636 -0.866 -10.365) 11.018 16.030 ( 5.509 0.674 12.633) 13.798 16.587 ( -12.951 0.300 -0.908) 12.986 31.593 ( 8.357 0.787 2.033) 8.637 31.711 ( 4.471 -0.751 0.471) 4.558 34.966 ( -0.705 0.172 1.350) 1.532 35.051 ( -3.450 -0.757 0.162) 3.536 75.530 ( -10.234 3.047 3.787) 11.330 75.569 ( -11.676 -0.205 3.484) 12.186 ======================= Grid point 412 (144/240) ======================= q-point: ( 0.47 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 1.482 -1.570 2.251) 3.119 2.543 ( -2.127 -2.626 2.317) 4.097 3.259 ( 0.385 2.778 10.227) 10.605 3.369 ( -6.554 -2.434 10.442) 12.566 5.315 ( 4.307 -2.278 1.621) 5.135 5.325 ( 3.219 -2.722 2.069) 4.696 7.157 ( 4.366 -0.934 7.036) 8.333 7.309 ( -6.509 -4.162 5.509) 9.489 9.366 ( 1.786 0.635 -5.276) 5.606 9.449 ( -2.788 -2.876 -5.595) 6.881 11.545 ( 6.256 2.384 -3.875) 7.735 11.639 ( -2.887 1.485 -4.386) 5.457 12.677 ( 3.674 3.094 6.791) 8.319 12.805 ( -3.228 -2.085 4.858) 6.194 13.822 ( 2.890 1.566 -15.355) 15.703 13.873 ( 0.486 -1.223 -13.327) 13.392 16.168 ( 8.166 1.116 7.687) 11.270 16.357 ( -10.265 0.557 3.200) 10.766 31.719 ( 4.155 0.443 1.612) 4.479 31.759 ( 0.316 -0.317 1.123) 1.209 34.966 ( 0.709 -0.168 1.319) 1.507 34.995 ( -2.149 -0.510 0.914) 2.390 75.392 ( -3.538 2.095 3.677) 5.516 75.414 ( -3.874 -0.095 3.749) 5.392 ======================= Grid point 495 (145/240) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.000 0.000 19.447) 19.447 2.017 ( 0.000 0.000 25.551) 25.551 2.375 ( 0.000 0.000 -8.203) 8.203 2.815 ( 0.000 0.000 20.836) 20.836 3.362 ( 0.000 0.000 5.836) 5.836 4.455 ( 0.000 0.000 -9.082) 9.082 7.994 ( 0.000 0.000 9.912) 9.912 8.181 ( 0.000 0.000 9.497) 9.497 8.558 ( 0.000 0.000 -8.147) 8.147 8.734 ( 0.000 0.000 -6.327) 6.327 10.834 ( 0.000 0.000 10.787) 10.787 11.317 ( 0.000 0.000 -3.832) 3.832 11.861 ( 0.000 0.000 1.472) 1.472 12.020 ( 0.000 0.000 -3.158) 3.158 13.646 ( 0.000 0.000 3.384) 3.384 14.134 ( 0.000 0.000 -9.266) 9.266 17.406 ( 0.000 0.000 5.823) 5.823 18.011 ( 0.000 0.000 -11.041) 11.041 30.380 ( 0.000 0.000 5.919) 5.919 30.799 ( 0.000 0.000 -6.120) 6.120 35.039 ( 0.000 0.000 8.328) 8.328 35.650 ( 0.000 0.000 -9.167) 9.167 75.777 ( 0.000 0.000 10.308) 10.308 76.560 ( 0.000 0.000 -12.277) 12.277 ======================= Grid point 496 (146/240) ======================= q-point: ( 0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 18.475 0.000 17.956) 25.763 2.057 ( 4.368 0.000 23.384) 23.789 2.595 ( 20.008 0.000 -8.112) 21.590 2.847 ( 3.903 0.000 16.429) 16.886 3.408 ( 5.131 0.000 8.460) 9.894 4.454 ( 0.208 0.000 -8.294) 8.297 7.944 ( -3.996 0.000 7.436) 8.442 7.978 ( -12.771 0.000 8.488) 15.334 8.807 ( 17.049 0.000 -7.055) 18.451 8.874 ( 12.672 0.000 -4.709) 13.519 10.793 ( -3.319 0.000 9.860) 10.403 11.240 ( -6.592 0.000 -3.256) 7.352 11.923 ( 5.766 0.000 1.285) 5.907 12.089 ( 5.913 0.000 -3.891) 7.079 13.635 ( -1.097 0.000 3.693) 3.852 14.138 ( 0.181 0.000 -9.882) 9.883 17.302 ( -9.877 0.000 7.854) 12.619 17.937 ( -7.292 0.000 -10.960) 13.164 30.435 ( 5.351 0.000 5.984) 8.027 30.889 ( 8.369 0.000 -7.783) 11.429 35.034 ( -0.491 0.000 8.092) 8.107 35.612 ( -3.578 0.000 -8.167) 8.917 75.746 ( -2.990 0.000 9.650) 10.102 76.394 ( -15.179 0.000 -7.024) 16.726 ======================= Grid point 497 (147/240) ======================= q-point: ( 0.13 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 14.508 0.000 19.243) 24.099 2.188 ( 8.490 0.000 19.685) 21.437 2.983 ( 8.645 0.000 2.026) 8.879 3.064 ( 24.137 0.000 -10.400) 26.283 3.615 ( 17.509 0.000 15.481) 23.372 4.491 ( 4.609 0.000 -5.320) 7.039 7.772 ( -7.693 0.000 8.253) 11.282 7.869 ( -3.128 0.000 3.892) 4.993 9.118 ( 13.381 0.000 -6.523) 14.886 9.170 ( 15.544 0.000 -3.471) 15.927 10.738 ( -1.602 0.000 7.812) 7.975 11.106 ( -5.804 0.000 -2.524) 6.329 12.066 ( 8.106 0.000 1.004) 8.168 12.221 ( 6.923 0.000 -4.790) 8.419 13.603 ( -2.131 0.000 4.229) 4.736 14.128 ( -1.428 0.000 -11.034) 11.126 17.045 ( -15.084 0.000 11.080) 18.716 17.729 ( -13.348 0.000 -10.653) 17.078 30.586 ( 9.591 0.000 6.035) 11.332 31.097 ( 11.643 0.000 -10.082) 15.401 35.022 ( -0.709 0.000 7.452) 7.486 35.521 ( -5.122 0.000 -6.281) 8.105 75.665 ( -4.933 0.000 8.045) 9.437 76.041 ( -18.399 0.000 1.214) 18.439 ======================= Grid point 498 (148/240) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 7.993 0.000 19.512) 21.086 2.376 ( 9.965 0.000 15.260) 18.225 3.127 ( 5.307 0.000 -5.373) 7.552 3.443 ( 12.079 0.000 -13.769) 18.317 4.119 ( 31.353 0.000 15.856) 35.135 4.695 ( 16.769 0.000 -0.461) 16.776 7.666 ( -3.206 0.000 6.727) 7.452 7.826 ( -1.275 0.000 1.093) 1.679 9.333 ( 8.507 0.000 -5.181) 9.961 9.446 ( 11.391 0.000 -3.547) 11.930 10.736 ( 1.286 0.000 6.085) 6.220 11.030 ( -1.856 0.000 -2.417) 3.048 12.234 ( 8.560 0.000 1.358) 8.667 12.361 ( 7.289 0.000 -4.650) 8.646 13.552 ( -2.968 0.000 4.199) 5.142 14.077 ( -3.735 0.000 -12.018) 12.585 16.732 ( -15.799 0.000 12.277) 20.008 17.421 ( -17.174 0.000 -9.957) 19.852 30.804 ( 12.046 0.000 5.773) 13.358 31.325 ( 10.944 0.000 -10.431) 15.118 35.009 ( -0.527 0.000 6.558) 6.579 35.418 ( -5.071 0.000 -4.703) 6.916 75.559 ( -5.463 0.000 6.276) 8.321 75.710 ( -14.238 0.000 5.409) 15.230 ======================= Grid point 499 (149/240) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 6.730 0.000 15.395) 16.802 2.569 ( 9.094 0.000 10.750) 14.081 3.204 ( 2.799 0.000 -4.242) 5.082 3.549 ( 0.045 0.000 -13.302) 13.302 4.775 ( 32.831 0.000 11.949) 34.937 5.122 ( 24.168 0.000 1.937) 24.245 7.634 ( -0.124 0.000 5.136) 5.138 7.815 ( 0.108 0.000 -0.756) 0.764 9.469 ( 5.431 0.000 -5.065) 7.426 9.614 ( 5.734 0.000 -4.207) 7.112 10.778 ( 2.665 0.000 5.219) 5.860 11.019 ( 0.198 0.000 -2.662) 2.670 12.396 ( 7.459 0.000 2.808) 7.970 12.513 ( 7.803 0.000 -3.345) 8.490 13.490 ( -2.997 0.000 2.935) 4.195 13.985 ( -5.237 0.000 -12.827) 13.855 16.437 ( -13.400 0.000 11.281) 17.517 17.064 ( -18.239 0.000 -8.669) 20.195 31.052 ( 12.577 0.000 4.974) 13.525 31.521 ( 8.522 0.000 -9.172) 12.520 35.003 ( -0.001 0.000 5.540) 5.540 35.323 ( -4.466 0.000 -3.424) 5.627 75.455 ( -4.904 0.000 4.961) 6.975 75.480 ( -9.050 0.000 6.368) 11.066 ======================= Grid point 500 (150/240) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 6.569 0.000 9.707) 11.721 2.728 ( 6.683 0.000 6.296) 9.181 3.246 ( 1.545 0.000 -1.857) 2.416 3.498 ( -4.194 0.000 -9.642) 10.514 5.378 ( 27.011 0.000 8.755) 28.395 5.586 ( 21.254 0.000 2.608) 21.413 7.656 ( 2.104 0.000 4.032) 4.548 7.824 ( 0.578 0.000 -1.342) 1.461 9.560 ( 3.889 0.000 -6.445) 7.527 9.690 ( 2.309 0.000 -5.629) 6.085 10.834 ( 2.810 0.000 4.710) 5.485 11.019 ( -0.444 0.000 -2.024) 2.072 12.522 ( 5.116 0.000 4.822) 7.030 12.654 ( 5.710 0.000 -0.978) 5.793 13.447 ( -0.918 0.000 -0.158) 0.931 13.876 ( -5.552 0.000 -13.359) 14.467 16.213 ( -8.835 0.000 8.981) 12.598 16.713 ( -16.641 0.000 -6.642) 17.917 31.294 ( 11.430 0.000 3.597) 11.983 31.660 ( 5.325 0.000 -7.196) 8.952 35.010 ( 0.709 0.000 4.451) 4.507 35.241 ( -3.797 0.000 -2.151) 4.364 75.343 ( -4.963 0.000 6.105) 7.868 75.367 ( -3.812 0.000 4.311) 5.755 ======================= Grid point 501 (151/240) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 5.942 0.000 4.007) 7.167 2.829 ( 3.302 0.000 1.898) 3.809 3.269 ( 0.918 0.000 0.474) 1.033 3.407 ( -4.583 0.000 -4.550) 6.458 5.827 ( 17.721 0.000 6.429) 18.851 5.937 ( 13.467 0.000 3.100) 13.819 7.711 ( 3.237 0.000 3.193) 4.547 7.831 ( -0.015 0.000 -0.646) 0.646 9.628 ( 3.041 0.000 -8.371) 8.906 9.716 ( 0.485 0.000 -7.723) 7.738 10.887 ( 2.445 0.000 4.143) 4.811 11.000 ( -1.367 0.000 -0.221) 1.385 12.602 ( 3.059 0.000 6.180) 6.896 12.720 ( 0.828 0.000 2.307) 2.451 13.467 ( 3.032 0.000 -4.836) 5.708 13.768 ( -5.346 0.000 -13.081) 14.131 16.093 ( -3.109 0.000 6.037) 6.791 16.415 ( -13.049 0.000 -3.894) 13.617 31.499 ( 9.020 0.000 1.748) 9.188 31.730 ( 1.695 0.000 -4.973) 5.254 35.031 ( 1.435 0.000 3.282) 3.582 35.172 ( -3.194 0.000 -0.781) 3.288 75.274 ( -2.111 0.000 5.558) 5.946 75.304 ( -2.582 0.000 4.234) 4.959 ======================= Grid point 502 (152/240) ======================= q-point: ( 0.47 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 4.159 0.000 -0.383) 4.176 2.855 ( -0.734 0.000 -1.221) 1.425 3.289 ( 1.278 0.000 1.846) 2.246 3.329 ( -2.972 0.000 0.249) 2.983 6.074 ( 7.091 0.000 4.807) 8.567 6.108 ( 3.595 0.000 3.758) 5.201 7.774 ( 2.858 0.000 2.174) 3.591 7.818 ( -1.427 0.000 0.777) 1.625 9.680 ( 2.158 0.000 -9.657) 9.895 9.712 ( -0.936 0.000 -9.421) 9.467 10.931 ( 2.025 0.000 3.279) 3.854 10.968 ( -1.754 0.000 1.813) 2.522 12.654 ( 2.464 0.000 6.152) 6.627 12.701 ( -2.086 0.000 4.859) 5.288 13.554 ( 5.226 0.000 -8.896) 10.317 13.662 ( -5.402 0.000 -11.589) 12.786 16.091 ( 2.788 0.000 2.757) 3.920 16.202 ( -8.269 0.000 -0.650) 8.295 31.647 ( 5.784 0.000 -0.397) 5.797 31.726 ( -2.104 0.000 -2.677) 3.404 35.067 ( 2.081 0.000 2.008) 2.892 35.114 ( -2.645 0.000 0.635) 2.720 75.253 ( -0.147 0.000 5.002) 5.004 75.265 ( -1.313 0.000 4.524) 4.711 ======================= Grid point 510 (153/240) ======================= q-point: ( 0.00 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.000 4.798 17.823) 18.458 1.884 ( 0.000 -10.263 26.119) 28.063 2.376 ( 0.000 0.060 -7.936) 7.936 2.905 ( 0.000 4.859 7.452) 8.897 3.457 ( 0.000 11.186 13.973) 17.899 4.521 ( 0.000 6.432 -7.101) 9.581 7.934 ( 0.000 -5.299 11.026) 12.234 8.192 ( 0.000 1.087 9.039) 9.104 8.520 ( 0.000 -3.919 -8.566) 9.420 8.727 ( 0.000 -0.652 -6.294) 6.328 10.845 ( 0.000 0.933 10.948) 10.987 11.331 ( 0.000 1.245 -4.965) 5.118 11.848 ( 0.000 -1.202 1.751) 2.124 12.021 ( 0.000 0.057 -3.214) 3.215 13.632 ( 0.000 -1.181 2.183) 2.482 14.067 ( 0.000 -6.585 -9.657) 11.689 17.308 ( 0.000 -8.638 10.689) 13.743 18.049 ( 0.000 2.640 -14.059) 14.305 30.388 ( 0.000 0.779 5.766) 5.818 30.796 ( 0.000 -0.302 -5.967) 5.975 35.064 ( 0.000 2.251 6.791) 7.154 35.622 ( 0.000 -2.655 -8.519) 8.923 75.823 ( 0.000 6.757 13.091) 14.732 76.855 ( 0.000 25.829 -20.617) 33.049 ======================= Grid point 511 (154/240) ======================= q-point: ( 0.07 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 14.735 1.800 17.770) 23.154 1.960 ( 9.574 -6.466 22.746) 25.512 2.587 ( 19.423 -0.428 -7.897) 20.971 2.919 ( 1.968 3.705 4.828) 6.396 3.506 ( 5.341 11.028 15.161) 19.493 4.515 ( -0.323 5.939 -6.360) 8.708 7.861 ( -5.841 -4.653 9.984) 12.468 8.059 ( -8.651 4.467 5.446) 11.156 8.717 ( 15.174 -6.892 -5.310) 17.491 8.888 ( 13.578 -0.376 -5.959) 14.833 10.798 ( -3.845 0.412 10.193) 10.902 11.253 ( -6.604 1.259 -4.394) 8.032 11.910 ( 5.510 -1.350 1.595) 5.893 12.089 ( 6.032 -0.066 -3.920) 7.194 13.623 ( -0.934 -0.983 2.543) 2.882 14.074 ( 0.440 -6.322 -10.117) 11.938 17.221 ( -8.432 -7.364 11.604) 16.124 17.967 ( -8.079 2.065 -13.359) 15.748 30.442 ( 5.369 0.798 5.824) 7.961 30.880 ( 7.924 -0.803 -7.294) 10.800 35.057 ( -0.670 2.089 6.686) 7.036 35.588 ( -3.290 -2.350 -7.690) 8.688 75.788 ( -3.419 6.428 12.434) 14.409 76.679 ( -16.169 25.025 -15.007) 33.360 ======================= Grid point 512 (155/240) ======================= q-point: ( 0.13 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 8.684 -7.675 20.001) 23.116 2.280 ( 17.198 6.410 16.864) 24.925 2.969 ( 8.195 -2.029 -4.875) 9.749 3.080 ( 22.087 1.506 -7.535) 23.385 3.710 ( 16.445 9.611 17.321) 25.746 4.532 ( 3.107 4.092 -3.767) 6.371 7.748 ( -5.008 -1.645 8.752) 10.217 7.916 ( -5.427 3.875 2.845) 7.251 9.034 ( 15.386 -6.384 -4.515) 17.259 9.177 ( 14.183 -0.903 -5.313) 15.172 10.732 ( -1.994 -0.554 8.518) 8.765 11.121 ( -5.629 1.449 -3.656) 6.867 12.043 ( 7.586 -2.145 1.510) 8.027 12.230 ( 7.588 0.580 -5.131) 9.178 13.595 ( -1.908 -0.577 3.266) 3.826 14.070 ( -1.134 -5.766 -10.941) 12.420 16.995 ( -13.618 -4.799 13.051) 19.463 17.743 ( -13.988 1.010 -12.008) 18.463 30.594 ( 9.627 0.852 5.868) 11.307 31.080 ( 11.389 -1.541 -9.215) 14.731 35.039 ( -1.000 1.657 6.362) 6.649 35.504 ( -4.820 -1.753 -6.066) 7.944 75.695 ( -5.695 5.548 10.808) 13.417 76.295 ( -20.468 22.079 -5.448) 30.596 ======================= Grid point 513 (156/240) ======================= q-point: ( 0.20 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 9.301 -8.235 16.634) 20.761 2.539 ( 9.320 9.945 15.865) 20.916 3.088 ( 4.797 -3.552 -7.458) 9.552 3.480 ( 14.051 3.505 -11.432) 18.450 4.172 ( 28.826 5.198 15.155) 32.979 4.695 ( 14.457 0.040 0.476) 14.465 7.667 ( -3.042 0.089 7.112) 7.736 7.840 ( -2.451 1.411 0.900) 2.967 9.290 ( 9.989 -3.947 -4.804) 11.766 9.426 ( 10.447 -2.044 -4.505) 11.559 10.730 ( 1.622 -0.646 6.976) 7.191 11.052 ( -1.264 2.189 -3.354) 4.200 12.207 ( 8.781 -2.555 1.783) 9.318 12.381 ( 7.470 1.558 -5.340) 9.314 13.548 ( -2.720 -0.148 3.455) 4.400 14.024 ( -3.446 -5.203 -11.658) 13.224 16.706 ( -14.775 -2.552 13.248) 20.008 17.427 ( -17.347 0.442 -10.596) 20.332 30.814 ( 12.094 0.939 5.621) 13.369 31.308 ( 11.044 -1.690 -9.564) 14.707 35.020 ( -0.844 1.089 5.816) 5.977 35.406 ( -4.887 -1.280 -4.618) 6.845 75.572 ( -6.386 4.417 8.942) 11.843 75.918 ( -16.714 17.278 0.436) 24.043 ======================= Grid point 514 (157/240) ======================= q-point: ( 0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 9.404 -6.648 12.372) 16.903 2.684 ( 5.711 7.692 11.437) 14.920 3.163 ( 2.858 -3.237 -4.900) 6.531 3.614 ( 0.677 5.946 -11.107) 12.617 4.784 ( 31.026 0.886 11.219) 33.004 5.088 ( 22.999 -3.553 2.577) 23.414 7.628 ( -0.876 -0.605 5.500) 5.602 7.810 ( -0.750 -0.545 -0.440) 1.027 9.440 ( 5.590 -2.649 -5.213) 8.089 9.583 ( 5.423 -3.035 -4.790) 7.847 10.784 ( 3.480 0.601 6.043) 6.999 11.058 ( 1.319 3.810 -3.301) 5.211 12.385 ( 8.681 -1.405 2.781) 9.223 12.524 ( 6.913 1.267 -3.975) 8.074 13.491 ( -2.807 0.233 2.311) 3.643 13.940 ( -4.758 -4.480 -12.417) 14.032 16.429 ( -12.647 -0.871 11.893) 17.383 17.070 ( -18.106 0.520 -8.892) 20.178 31.062 ( 12.619 1.032 4.869) 13.565 31.508 ( 8.819 -1.293 -8.471) 12.297 35.009 ( -0.284 0.520 5.080) 5.115 35.313 ( -4.382 -1.025 -3.377) 5.626 75.450 ( -5.756 3.386 7.411) 9.976 75.640 ( -11.353 11.938 2.726) 16.698 ======================= Grid point 515 (158/240) ======================= q-point: ( 0.33 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 8.733 -4.243 7.842) 12.481 2.774 ( 3.436 3.227 5.990) 7.622 3.209 ( 1.965 -2.473 -1.405) 3.457 3.565 ( -4.570 5.883 -7.914) 10.869 5.357 ( 25.694 -2.161 8.233) 27.067 5.535 ( 20.718 -5.116 3.047) 21.557 7.633 ( 1.319 -2.173 4.247) 4.950 7.803 ( -0.178 -2.131 -0.963) 2.345 9.527 ( 3.375 -3.077 -6.158) 7.667 9.655 ( 2.245 -3.415 -6.073) 7.320 10.856 ( 3.510 2.353 5.400) 6.857 11.084 ( 1.059 6.132 -2.547) 6.724 12.529 ( 5.355 0.459 4.589) 7.068 12.652 ( 5.664 0.045 -1.635) 5.895 13.449 ( -0.969 0.326 -0.633) 1.203 13.844 ( -4.774 -3.238 -13.141) 14.352 16.218 ( -8.296 0.419 9.496) 12.616 16.723 ( -16.377 0.971 -6.595) 17.682 31.304 ( 11.436 1.082 3.569) 12.029 31.653 ( 5.671 -0.654 -6.663) 8.774 35.010 ( 0.484 0.031 4.188) 4.216 35.232 ( -3.764 -0.917 -2.114) 4.414 75.349 ( -4.241 2.539 6.354) 8.050 75.460 ( -6.997 7.266 3.451) 10.661 ======================= Grid point 516 (159/240) ======================= q-point: ( 0.40 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 7.105 -1.928 3.228) 8.039 2.822 ( 1.462 -0.863 1.460) 2.239 3.244 ( 1.552 -1.516 1.435) 2.601 3.459 ( -5.545 4.477 -3.784) 8.069 5.783 ( 16.778 -4.373 6.177) 18.406 5.878 ( 13.211 -5.841 3.416) 14.843 7.675 ( 2.721 -3.538 3.175) 5.477 7.797 ( -0.533 -3.350 -0.509) 3.430 9.581 ( 2.116 -4.358 -7.146) 8.633 9.684 ( 0.806 -3.334 -8.126) 8.820 10.917 ( 2.486 3.819 4.681) 6.533 11.097 ( 0.308 8.472 -0.819) 8.517 12.601 ( 2.288 0.100 6.092) 6.508 12.728 ( 1.690 0.813 1.337) 2.304 13.467 ( 2.835 -0.024 -5.095) 5.831 13.752 ( -4.540 -1.622 -13.152) 14.008 16.105 ( -2.894 1.223 6.540) 7.255 16.431 ( -12.719 1.569 -3.662) 13.329 31.509 ( 8.955 1.025 1.820) 9.195 31.730 ( 2.012 0.003 -4.577) 5.000 35.028 ( 1.272 -0.349 3.147) 3.412 35.163 ( -3.165 -0.859 -0.758) 3.366 75.284 ( -2.284 1.692 5.609) 6.288 75.352 ( -3.955 4.149 3.819) 6.888 ======================= Grid point 517 (160/240) ======================= q-point: ( 0.47 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 3.838 -1.088 -0.523) 4.023 2.833 ( -0.432 -2.228 -1.073) 2.511 3.273 ( 1.305 -0.782 2.667) 3.071 3.364 ( -3.382 2.766 0.172) 4.372 6.016 ( 6.481 -5.798 4.827) 9.946 6.048 ( 3.765 -6.001 3.922) 8.097 7.731 ( 2.606 -4.399 2.028) 5.501 7.777 ( -1.525 -3.885 0.619) 4.219 9.610 ( 0.803 -5.659 -7.557) 9.475 9.692 ( 0.163 -2.891 -9.935) 10.349 10.951 ( 0.889 4.633 3.992) 6.180 11.100 ( 0.029 9.946 0.833) 9.980 12.632 ( 0.911 -1.180 6.628) 6.794 12.732 ( -0.537 2.219 3.294) 4.008 13.548 ( 4.658 -0.599 -9.038) 10.185 13.660 ( -4.557 -0.161 -11.916) 12.759 16.101 ( 2.107 1.173 3.301) 4.089 16.227 ( -7.400 2.386 -0.354) 7.784 31.655 ( 5.545 0.769 -0.212) 5.602 31.732 ( -1.775 0.600 -2.405) 3.048 35.060 ( 1.970 -0.619 1.954) 2.843 35.106 ( -2.583 -0.772 0.629) 2.768 75.257 ( -0.562 1.035 5.077) 5.211 75.299 ( -1.425 2.749 4.167) 5.191 ======================= Grid point 525 (161/240) ======================= q-point: ( 0.00 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 0.000 7.736 13.922) 15.927 1.727 ( 0.000 -4.384 21.819) 22.255 2.376 ( 0.000 -0.085 -7.170) 7.170 2.918 ( 0.000 -2.956 -8.804) 9.287 3.790 ( 0.000 21.273 21.740) 30.416 4.685 ( 0.000 9.873 -2.738) 10.245 7.831 ( 0.000 -4.484 12.193) 12.991 8.222 ( 0.000 1.932 7.786) 8.022 8.417 ( 0.000 -6.102 -7.863) 9.953 8.709 ( 0.000 -1.177 -6.181) 6.292 10.858 ( 0.000 0.189 8.944) 8.946 11.352 ( 0.000 0.502 -7.183) 7.200 11.818 ( 0.000 -1.733 2.430) 2.985 12.020 ( 0.000 -0.211 -3.297) 3.304 13.609 ( 0.000 -1.558 -0.361) 1.599 13.905 ( 0.000 -8.877 -9.921) 13.312 17.122 ( 0.000 -9.795 17.040) 19.654 18.071 ( 0.000 -0.780 -17.310) 17.327 30.410 ( 0.000 1.401 5.329) 5.510 30.787 ( 0.000 -0.599 -5.533) 5.565 35.113 ( 0.000 2.553 3.806) 4.583 35.555 ( 0.000 -4.026 -7.250) 8.293 76.069 ( 0.000 18.146 15.084) 23.597 77.386 ( 0.000 25.584 -29.330) 38.920 ======================= Grid point 526 (162/240) ======================= q-point: ( 0.07 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 4.059 -2.172 18.948) 19.499 1.952 ( 21.113 5.212 14.349) 26.054 2.580 ( 18.784 -0.386 -7.421) 20.201 2.921 ( 0.860 -3.075 -8.737) 9.302 3.823 ( 3.671 20.074 20.987) 29.272 4.667 ( -1.637 9.127 -2.132) 9.515 7.785 ( -3.505 -2.991 11.330) 12.231 8.134 ( -6.777 3.235 2.632) 7.957 8.580 ( 14.206 -6.674 -3.040) 15.988 8.859 ( 12.801 -2.105 -6.125) 14.347 10.803 ( -4.669 -0.014 8.457) 9.660 11.278 ( -6.290 0.926 -6.775) 9.291 11.872 ( 4.668 -2.543 2.333) 5.805 12.083 ( 5.927 -0.531 -3.858) 7.092 13.608 ( -0.231 -0.743 -0.065) 0.781 13.915 ( 0.806 -8.988 -9.968) 13.446 17.057 ( -6.371 -8.849 16.882) 20.098 17.983 ( -8.572 -0.753 -16.324) 18.453 30.465 ( 5.422 1.438 5.372) 7.767 30.860 ( 6.983 -1.177 -6.246) 9.443 35.103 ( -0.984 2.411 3.895) 4.685 35.527 ( -2.662 -3.653 -6.725) 8.103 76.025 ( -4.310 17.518 14.345) 23.049 77.200 ( -17.463 25.522 -23.975) 39.130 ======================= Grid point 527 (163/240) ======================= q-point: ( 0.13 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 7.373 -3.579 16.579) 18.494 2.418 ( 22.020 7.633 13.301) 26.834 2.900 ( 5.541 -4.910 -10.984) 13.246 3.105 ( 23.509 0.779 -6.718) 24.463 3.965 ( 11.500 15.702 18.369) 26.762 4.638 ( -0.475 6.455 -0.242) 6.477 7.719 ( -2.990 -1.325 9.963) 10.486 7.996 ( -6.705 4.002 0.942) 7.865 8.904 ( 16.743 -6.630 -2.443) 18.173 9.141 ( 14.140 -2.089 -6.218) 15.588 10.719 ( -2.753 -0.677 7.510) 8.028 11.155 ( -4.997 1.671 -6.173) 8.116 11.985 ( 6.610 -3.917 2.414) 8.054 12.233 ( 8.582 -0.291 -5.367) 10.126 13.594 ( -1.253 0.563 0.780) 1.580 13.921 ( -0.523 -8.841 -10.045) 13.392 16.880 ( -10.962 -6.539 16.314) 20.713 17.749 ( -14.462 -0.729 -14.157) 20.251 30.618 ( 9.729 1.543 5.401) 11.234 31.043 ( 10.766 -2.129 -7.360) 13.214 35.077 ( -1.549 2.004 4.071) 4.795 35.458 ( -4.124 -2.878 -5.590) 7.519 75.907 ( -7.304 15.720 12.446) 21.339 76.765 ( -24.333 23.857 -13.471) 36.643 ======================= Grid point 528 (164/240) ======================= q-point: ( 0.20 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 9.594 -4.249 12.920) 16.644 2.716 ( 7.674 7.075 9.547) 14.145 3.017 ( 7.158 -2.494 -6.173) 9.776 3.561 ( 18.158 4.300 -8.435) 20.478 4.305 ( 22.313 7.960 13.539) 27.286 4.697 ( 8.123 0.274 2.892) 8.626 7.663 ( -2.786 -0.791 8.401) 8.886 7.877 ( -5.068 2.365 0.576) 5.622 9.197 ( 12.034 -5.386 -3.548) 13.654 9.381 ( 9.390 -1.953 -6.164) 11.401 10.715 ( 2.466 -0.579 6.697) 7.160 11.106 ( 0.262 3.072 -5.549) 6.348 12.138 ( 8.880 -4.556 2.541) 10.299 12.407 ( 8.556 0.999 -6.341) 10.696 13.558 ( -2.316 1.293 1.371) 2.986 13.889 ( -2.708 -8.239 -10.262) 13.436 16.641 ( -12.468 -3.870 15.134) 19.986 17.428 ( -17.288 -0.523 -11.787) 20.930 30.840 ( 12.223 1.694 5.194) 13.388 31.266 ( 11.205 -2.432 -7.571) 13.739 35.046 ( -1.498 1.400 4.144) 4.623 35.371 ( -4.436 -2.213 -4.401) 6.629 75.748 ( -8.405 13.022 10.104) 18.501 76.292 ( -22.255 19.578 -5.096) 30.076 ======================= Grid point 529 (165/240) ======================= q-point: ( 0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 10.510 -4.432 9.123) 14.606 2.794 ( 1.569 1.842 2.652) 3.590 3.138 ( 4.536 2.642 1.997) 5.617 3.754 ( 1.856 8.066 -8.183) 11.639 4.802 ( 26.145 0.705 9.372) 27.783 4.989 ( 19.747 -6.441 4.297) 21.211 7.609 ( -2.382 -1.526 6.669) 7.244 7.797 ( -3.091 -0.565 0.331) 3.160 9.375 ( 6.010 -4.135 -4.917) 8.798 9.513 ( 4.314 -3.429 -5.953) 8.112 10.802 ( 5.686 1.346 6.177) 8.503 11.152 ( 3.683 5.417 -4.805) 8.124 12.335 ( 10.525 -3.708 2.710) 11.484 12.560 ( 6.561 2.230 -5.234) 8.684 13.506 ( -2.649 1.455 0.587) 3.079 13.823 ( -3.558 -7.181 -11.018) 13.624 16.406 ( -10.741 -1.411 13.227) 17.098 17.078 ( -17.534 0.131 -9.292) 19.845 31.091 ( 12.721 1.840 4.568) 13.641 31.475 ( 9.497 -1.960 -6.745) 11.812 35.021 ( -0.922 0.706 3.971) 4.137 35.285 ( -4.165 -1.826 -3.233) 5.580 75.584 ( -7.848 9.862 7.989) 14.922 75.901 ( -16.861 14.023 -0.356) 21.933 ======================= Grid point 530 (166/240) ======================= q-point: ( 0.33 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 10.295 -4.085 5.497) 12.365 2.803 ( -0.393 -1.146 0.161) 1.222 3.204 ( 2.361 2.909 4.682) 5.996 3.700 ( -5.853 7.663 -5.501) 11.101 5.293 ( 22.288 -4.474 6.839) 23.739 5.396 ( 19.518 -8.837 4.081) 21.811 7.577 ( -0.742 -3.582 5.025) 6.216 7.748 ( -1.937 -3.062 -0.001) 3.623 9.452 ( 2.199 -4.518 -5.516) 7.461 9.571 ( 1.916 -4.674 -6.596) 8.308 10.922 ( 5.997 4.233 5.727) 9.310 11.228 ( 3.475 7.932 -3.498) 9.339 12.526 ( 7.564 -1.010 3.739) 8.498 12.668 ( 4.613 1.793 -2.857) 5.715 13.463 ( -1.360 1.115 -1.993) 2.658 13.758 ( -2.818 -5.304 -12.287) 13.677 16.229 ( -6.818 0.687 10.668) 12.679 16.745 ( -15.563 1.152 -6.406) 16.869 31.334 ( 11.433 1.897 3.479) 12.100 31.636 ( 6.527 -1.049 -5.285) 8.463 35.011 ( -0.067 0.026 3.514) 3.514 35.207 ( -3.665 -1.637 -1.994) 4.482 75.443 ( -6.164 6.760 6.455) 11.196 75.622 ( -11.269 8.902 1.955) 14.493 ======================= Grid point 531 (167/240) ======================= q-point: ( 0.40 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 8.671 -3.290 2.038) 9.495 2.786 ( -1.094 -3.005 -0.436) 3.228 3.242 ( 1.628 1.684 5.040) 5.557 3.559 ( -7.590 5.588 -2.430) 9.733 5.663 ( 14.534 -7.807 5.454) 17.376 5.723 ( 12.705 -9.679 4.055) 16.479 7.581 ( 0.988 -6.031 3.508) 7.046 7.715 ( -1.505 -4.586 -0.088) 4.827 9.478 ( 0.689 -5.923 -5.454) 8.081 9.598 ( 0.845 -5.090 -7.890) 9.427 11.030 ( 4.646 7.231 4.928) 9.907 11.281 ( 1.851 9.624 -1.491) 9.913 12.612 ( 1.677 1.038 5.436) 5.783 12.750 ( 2.998 1.428 -0.564) 3.368 13.468 ( 2.084 0.155 -5.932) 6.289 13.708 ( -2.499 -2.812 -13.070) 13.601 16.139 ( -2.118 2.201 7.664) 8.250 16.470 ( -11.875 2.258 -3.067) 12.471 31.537 ( 8.764 1.767 1.997) 9.161 31.730 ( 2.829 -0.031 -3.527) 4.521 35.019 ( 0.843 -0.566 2.784) 2.963 35.140 ( -3.069 -1.509 -0.681) 3.487 75.343 ( -3.760 4.216 5.493) 7.879 75.447 ( -6.462 5.260 3.042) 8.870 ======================= Grid point 532 (168/240) ======================= q-point: ( 0.47 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( 2.833 -2.420 -0.656) 3.784 2.770 ( 0.550 -4.103 -0.612) 4.185 3.273 ( 1.467 0.980 4.515) 4.847 3.427 ( -4.695 3.640 0.615) 5.972 5.863 ( 5.344 -9.585 4.742) 11.955 5.889 ( 3.944 -9.936 4.214) 11.490 7.606 ( 1.099 -8.137 2.274) 8.520 7.689 ( -0.983 -4.777 0.258) 4.884 9.486 ( 0.172 -6.861 -5.409) 8.739 9.608 ( 0.232 -5.309 -8.744) 10.232 11.097 ( 1.881 9.528 3.928) 10.476 11.303 ( 0.415 10.050 0.421) 10.067 12.626 ( 0.235 0.718 6.261) 6.306 12.778 ( 0.291 2.542 0.996) 2.746 13.532 ( 3.402 -1.009 -9.523) 10.163 13.653 ( -2.709 -0.615 -12.504) 12.809 16.139 ( 1.625 2.770 4.470) 5.504 16.283 ( -6.336 3.195 0.397) 7.107 31.676 ( 4.966 1.336 0.273) 5.150 31.747 ( -0.968 0.917 -1.675) 2.141 35.044 ( 1.665 -1.027 1.806) 2.663 35.085 ( -2.399 -1.324 0.620) 2.809 75.294 ( -1.166 2.717 4.949) 5.765 75.361 ( -2.189 3.476 3.573) 5.444 ======================= Grid point 540 (169/240) ======================= q-point: ( 0.00 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 0.000 5.422 11.603) 12.807 1.849 ( 0.000 8.310 9.486) 12.611 2.371 ( 0.000 -0.575 -5.994) 6.022 2.819 ( 0.000 -6.794 -14.916) 16.390 4.222 ( 0.000 22.125 20.902) 30.436 4.879 ( 0.000 9.431 1.879) 9.616 7.775 ( 0.000 -1.239 12.795) 12.855 8.264 ( 0.000 2.308 6.077) 6.501 8.302 ( 0.000 -5.491 -5.111) 7.502 8.683 ( 0.000 -1.452 -5.967) 6.141 10.851 ( 0.000 -0.741 3.167) 3.252 11.332 ( 0.000 -2.870 -10.181) 10.578 11.785 ( 0.000 -1.614 3.201) 3.585 12.013 ( 0.000 -0.527 -3.294) 3.336 13.522 ( 0.000 -8.006 -1.970) 8.245 13.803 ( 0.000 -0.373 -8.892) 8.900 16.945 ( 0.000 -8.088 20.017) 21.590 18.023 ( 0.000 -3.777 -18.770) 19.146 30.440 ( 0.000 1.697 4.684) 4.982 30.773 ( 0.000 -0.826 -4.892) 4.961 35.155 ( 0.000 1.699 1.323) 2.154 35.475 ( 0.000 -3.986 -6.265) 7.426 76.493 ( 0.000 24.440 14.064) 28.198 77.773 ( 0.000 13.471 -27.911) 30.992 ======================= Grid point 541 (170/240) ======================= q-point: ( 0.07 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 3.010 5.194 10.657) 12.232 2.083 ( 21.100 7.363 9.382) 24.238 2.569 ( 17.797 -0.934 -6.516) 18.975 2.825 ( 1.461 -6.512 -14.008) 15.516 4.230 ( 1.106 20.893 20.034) 28.968 4.846 ( -3.095 8.796 2.303) 9.605 7.748 ( -2.279 -0.837 12.397) 12.633 8.179 ( -5.297 1.065 -0.227) 5.407 8.473 ( 13.506 -3.923 1.124) 14.109 8.822 ( 12.541 -1.556 -6.254) 14.100 10.799 ( -4.453 -0.103 2.940) 5.337 11.271 ( -5.263 -1.950 -10.019) 11.484 11.814 ( 2.721 -3.227 3.197) 5.295 12.069 ( 5.517 -0.906 -3.825) 6.774 13.549 ( 2.205 -6.561 -2.221) 7.269 13.800 ( -0.425 -1.191 -8.267) 8.363 16.895 ( -4.961 -7.513 19.536) 21.510 17.939 ( -8.213 -3.462 -17.846) 19.948 30.496 ( 5.510 1.750 4.711) 7.457 30.837 ( 6.129 -1.241 -5.150) 8.101 35.143 ( -1.176 1.646 1.505) 2.521 35.454 ( -2.069 -3.708 -5.937) 7.300 76.434 ( -5.831 23.506 13.400) 27.679 77.596 ( -16.975 14.314 -23.963) 32.669 ======================= Grid point 542 (171/240) ======================= q-point: ( 0.13 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 6.025 3.667 9.070) 11.489 2.564 ( 22.929 6.970 8.894) 25.562 2.787 ( 4.204 -6.423 -12.980) 15.080 3.108 ( 26.579 -0.408 -6.073) 27.267 4.284 ( 5.022 16.478 17.193) 24.338 4.769 ( -4.250 6.590 3.543) 8.605 7.696 ( -2.829 -0.975 11.672) 12.050 8.061 ( -6.515 2.342 -0.337) 6.931 8.788 ( 16.714 -4.987 1.057) 17.474 9.116 ( 15.283 -0.368 -7.288) 16.935 10.715 ( -2.874 0.583 2.675) 3.969 11.171 ( -3.688 -0.358 -9.599) 10.289 11.892 ( 5.262 -5.449 3.374) 8.293 12.219 ( 9.131 -1.127 -5.502) 10.720 13.587 ( 1.115 -3.126 -2.349) 4.066 13.782 ( -1.504 -3.349 -7.084) 7.979 16.756 ( -8.678 -5.913 18.277) 21.079 17.713 ( -13.984 -2.755 -15.551) 21.095 30.652 ( 9.883 1.894 4.724) 11.116 31.002 ( 10.083 -1.997 -5.528) 11.671 35.111 ( -1.931 1.469 1.952) 3.114 35.398 ( -3.415 -3.104 -5.134) 6.903 76.271 ( -10.108 20.872 11.668) 25.961 77.154 ( -25.788 15.200 -15.352) 33.642 ======================= Grid point 543 (172/240) ======================= q-point: ( 0.20 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 8.267 1.533 7.095) 11.002 2.739 ( 0.810 -4.533 -8.198) 9.403 3.064 ( 16.364 6.922 7.326) 19.219 3.632 ( 23.065 2.849 -6.502) 24.133 4.462 ( 13.349 7.696 12.175) 19.638 4.712 ( 0.122 1.446 5.647) 5.831 7.634 ( -3.430 -2.011 10.538) 11.263 7.925 ( -6.837 2.301 0.352) 7.222 9.090 ( 12.745 -5.321 -0.366) 13.816 9.367 ( 8.960 0.509 -8.187) 12.148 10.719 ( 3.526 1.202 2.922) 4.735 11.156 ( 2.470 1.794 -8.656) 9.179 12.032 ( 8.926 -6.224 3.499) 11.431 12.415 ( 10.127 -0.204 -7.118) 12.380 13.584 ( -1.333 0.102 -2.034) 2.434 13.739 ( -2.669 -5.493 -6.722) 9.081 16.566 ( -9.981 -3.679 16.549) 19.673 17.404 ( -16.576 -1.892 -12.662) 20.944 30.877 ( 12.393 2.081 4.569) 13.372 31.219 ( 11.268 -2.331 -5.432) 12.724 35.071 ( -2.037 1.139 2.426) 3.366 35.324 ( -3.939 -2.547 -4.121) 6.243 76.047 ( -12.023 17.014 9.477) 22.888 76.627 ( -26.009 14.055 -7.249) 30.440 ======================= Grid point 544 (173/240) ======================= q-point: ( 0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 9.552 -0.598 5.095) 10.843 2.742 ( -0.211 -5.800 -7.750) 9.682 3.277 ( 5.486 10.167 10.972) 15.933 3.912 ( 3.798 7.894 -5.860) 10.539 4.793 ( 18.401 -3.373 7.812) 20.274 4.861 ( 15.770 -4.728 5.990) 17.519 7.561 ( -3.754 -3.369 8.867) 10.201 7.799 ( -5.727 0.742 0.841) 5.836 9.280 ( 6.392 -5.321 -2.535) 8.694 9.471 ( 2.318 -0.818 -8.012) 8.381 10.841 ( 8.020 2.749 3.670) 9.238 11.252 ( 6.214 4.495 -6.926) 10.334 12.246 ( 12.328 -5.165 3.115) 13.725 12.600 ( 7.909 1.675 -6.668) 10.480 13.541 ( -2.770 1.362 -2.362) 3.887 13.685 ( -2.428 -6.037 -7.871) 10.213 16.378 ( -8.429 -1.307 14.415) 16.750 17.072 ( -16.448 -0.779 -9.502) 19.012 31.131 ( 12.830 2.231 4.109) 13.655 31.436 ( 10.189 -1.995 -4.714) 11.402 35.034 ( -1.549 0.654 2.703) 3.183 35.245 ( -3.895 -2.188 -2.994) 5.378 75.808 ( -11.647 12.642 7.434) 18.728 76.151 ( -21.443 11.016 -1.830) 24.177 ======================= Grid point 545 (174/240) ======================= q-point: ( 0.33 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 9.843 -2.346 3.213) 10.617 2.732 ( -0.856 -5.482 -5.121) 7.550 3.322 ( 0.072 8.593 10.678) 13.706 3.850 ( -7.697 7.429 -2.630) 11.016 5.169 ( 18.475 -9.079 5.392) 21.280 5.225 ( 18.018 -7.407 4.523) 19.999 7.494 ( -2.827 -4.865 6.902) 8.904 7.701 ( -4.105 -1.613 0.820) 4.486 9.354 ( 1.531 -5.343 -4.054) 6.880 9.493 ( 0.493 -3.113 -7.571) 8.201 11.012 ( 8.736 4.912 4.350) 10.926 11.371 ( 5.233 6.431 -4.470) 9.419 12.491 ( 11.049 -2.395 2.862) 11.662 12.717 ( 4.024 2.995 -3.966) 6.395 13.487 ( -2.193 1.001 -4.343) 4.967 13.654 ( -0.601 -4.800 -10.238) 11.323 16.244 ( -4.882 0.858 11.779) 12.779 16.763 ( -14.268 0.624 -6.057) 15.512 31.375 ( 11.385 2.248 3.298) 12.064 31.614 ( 7.518 -1.171 -3.551) 8.396 35.012 ( -0.697 0.067 2.669) 2.759 35.171 ( -3.505 -1.970 -1.777) 4.396 75.596 ( -9.511 8.524 5.915) 14.075 75.785 ( -15.236 7.430 1.146) 16.989 ======================= Grid point 546 (175/240) ======================= q-point: ( 0.40 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 8.599 -3.620 1.427) 9.439 2.710 ( -1.224 -4.562 -2.027) 5.140 3.311 ( -0.589 5.315 8.726) 10.234 3.666 ( -9.751 5.171 -0.053) 11.038 5.486 ( 12.723 -10.258 4.492) 16.949 5.528 ( 11.794 -9.768 4.042) 15.838 7.454 ( -1.126 -6.488 5.010) 8.274 7.634 ( -2.638 -3.648 0.547) 4.535 9.362 ( -0.222 -5.654 -4.330) 7.125 9.500 ( 0.147 -4.814 -7.542) 8.949 11.175 ( 7.311 7.248 4.189) 11.114 11.448 ( 2.365 7.161 -1.727) 7.737 12.637 ( 3.194 1.345 4.368) 5.576 12.787 ( 3.334 2.397 -1.924) 4.535 13.471 ( 0.908 0.090 -7.481) 7.537 13.651 ( -0.185 -2.773 -12.365) 12.674 16.187 ( -0.852 2.571 8.694) 9.106 16.513 ( -10.734 2.034 -2.364) 11.178 31.574 ( 8.469 2.043 2.179) 8.981 31.728 ( 3.842 -0.150 -2.157) 4.409 35.008 ( 0.286 -0.541 2.297) 2.377 35.107 ( -2.890 -1.773 -0.534) 3.433 75.438 ( -6.130 5.299 4.992) 9.517 75.545 ( -8.962 4.536 2.552) 10.364 ======================= Grid point 547 (176/240) ======================= q-point: ( 0.47 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 0.871 -4.988 0.537) 5.092 2.706 ( 2.485 -3.267 -0.469) 4.131 3.314 ( 0.770 3.153 6.684) 7.430 3.500 ( -5.757 3.629 2.195) 7.150 5.661 ( 4.647 -10.759 4.216) 12.455 5.683 ( 3.778 -10.749 4.027) 12.085 7.444 ( -0.105 -7.708 3.685) 8.544 7.597 ( -1.003 -4.694 0.448) 4.821 9.357 ( -0.183 -6.025 -4.233) 7.365 9.500 ( -0.013 -5.566 -7.563) 9.390 11.288 ( 3.448 9.391 3.168) 10.494 11.468 ( 0.006 6.717 0.728) 6.756 12.659 ( 0.125 2.520 5.303) 5.873 12.831 ( 0.951 2.782 -0.545) 2.990 13.512 ( 2.228 -0.881 -10.345) 10.618 13.637 ( -1.030 -1.077 -12.875) 12.961 16.203 ( 1.976 3.597 5.429) 6.806 16.344 ( -5.788 2.890 1.260) 6.591 31.704 ( 4.310 1.553 0.869) 4.663 31.765 ( -0.047 0.828 -0.707) 1.090 35.023 ( 1.230 -1.081 1.603) 2.291 35.057 ( -2.107 -1.493 0.627) 2.657 75.356 ( -2.067 3.463 4.536) 6.070 75.426 ( -2.986 3.037 3.120) 5.279 ======================= Grid point 555 (177/240) ======================= q-point: ( 0.00 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 0.000 12.091 0.143) 12.092 1.999 ( 0.000 6.864 5.664) 8.899 2.352 ( 0.000 -1.290 -4.564) 4.743 2.658 ( 0.000 -9.778 -16.198) 18.921 4.618 ( 0.000 18.095 18.087) 25.584 5.026 ( 0.000 5.087 6.119) 7.957 7.778 ( 0.000 1.327 13.718) 13.782 8.208 ( 0.000 -4.159 -1.466) 4.410 8.307 ( 0.000 1.993 4.406) 4.836 8.655 ( 0.000 -1.314 -5.670) 5.821 10.842 ( 0.000 0.177 -4.183) 4.187 11.242 ( 0.000 -6.010 -14.193) 15.413 11.758 ( 0.000 -1.087 3.822) 3.974 12.002 ( 0.000 -0.565 -3.210) 3.259 13.354 ( 0.000 -7.866 0.610) 7.889 13.843 ( 0.000 2.979 -9.271) 9.738 16.817 ( 0.000 -4.991 20.630) 21.225 17.944 ( 0.000 -3.906 -19.386) 19.775 30.472 ( 0.000 1.481 3.987) 4.253 30.757 ( 0.000 -0.817 -4.200) 4.279 35.180 ( 0.000 0.841 -0.200) 0.865 35.407 ( 0.000 -2.893 -5.799) 6.481 76.978 ( 0.000 24.570 9.971) 26.516 77.902 ( 0.000 0.066 -19.637) 19.637 ======================= Grid point 556 (178/240) ======================= q-point: ( 0.07 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 1.798 11.298 0.249) 11.442 2.218 ( 20.068 6.198 5.621) 21.742 2.539 ( 14.387 -2.489 -6.431) 15.954 2.677 ( 5.068 -8.280 -13.808) 16.879 4.604 ( -1.270 17.005 17.460) 24.405 4.985 ( -3.977 4.893 6.290) 8.906 7.751 ( -2.510 1.051 13.644) 13.913 8.167 ( -3.414 -2.076 -0.785) 4.072 8.435 ( 11.646 -0.190 4.055) 12.333 8.799 ( 13.364 -0.849 -6.278) 14.790 10.808 ( -3.088 1.123 -4.198) 5.331 11.202 ( -3.542 -4.854 -14.077) 15.306 11.754 ( 0.069 -2.756 4.112) 4.951 12.050 ( 4.902 -0.951 -4.050) 6.430 13.398 ( 3.841 -7.302 -0.094) 8.251 13.832 ( -1.144 2.845 -8.300) 8.849 16.775 ( -4.118 -4.686 20.149) 21.093 17.866 ( -7.652 -3.639 -18.524) 20.369 30.529 ( 5.618 1.539 3.998) 7.065 30.814 ( 5.568 -1.053 -4.206) 7.057 35.167 ( -1.215 0.851 -0.003) 1.484 35.390 ( -1.692 -2.750 -5.538) 6.411 76.899 ( -7.819 23.449 9.598) 26.516 77.745 ( -15.197 1.264 -17.210) 22.994 ======================= Grid point 557 (179/240) ======================= q-point: ( 0.13 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 3.790 9.352 0.242) 10.094 2.602 ( 2.434 -6.742 -10.886) 13.034 2.725 ( 24.263 3.424 3.271) 24.721 3.092 ( 28.644 -1.125 -4.927) 29.087 4.578 ( -1.030 13.150 15.544) 20.386 4.878 ( -6.407 4.241 6.714) 10.204 7.685 ( -3.997 -0.060 13.442) 14.024 8.079 ( -5.403 -0.407 -0.237) 5.424 8.720 ( 15.571 -1.990 4.023) 16.205 9.121 ( 16.868 0.583 -7.854) 18.615 10.748 ( -1.973 2.717 -3.937) 5.175 11.137 ( -1.757 -2.896 -13.442) 13.862 11.786 ( 3.610 -5.077 4.569) 7.725 12.192 ( 9.149 -1.489 -6.172) 11.136 13.476 ( 3.352 -6.166 -1.581) 7.194 13.794 ( -2.720 2.536 -6.061) 7.111 16.660 ( -7.103 -3.766 18.882) 20.522 17.654 ( -13.183 -2.998 -16.224) 21.118 30.688 ( 10.064 1.693 3.992) 10.958 30.968 ( 9.557 -1.521 -4.099) 10.510 35.134 ( -2.052 0.854 0.504) 2.279 35.343 ( -2.942 -2.434 -4.834) 6.160 76.681 ( -13.651 20.383 8.598) 25.995 77.337 ( -24.584 3.635 -11.545) 27.402 ======================= Grid point 558 (180/240) ======================= q-point: ( 0.20 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 5.589 6.556 0.292) 8.620 2.606 ( -0.113 -8.353 -11.914) 14.550 3.208 ( 20.637 6.796 8.506) 23.334 3.669 ( 27.220 0.948 -5.154) 27.720 4.580 ( 1.384 4.061 12.685) 13.391 4.761 ( -3.649 3.443 6.853) 8.493 7.595 ( -5.013 -1.770 12.813) 13.872 7.956 ( -6.772 0.776 0.351) 6.825 9.005 ( 12.151 -3.184 2.789) 12.867 9.389 ( 8.804 1.409 -9.314) 12.894 10.766 ( 4.295 3.533 -2.690) 6.178 11.169 ( 5.200 -0.501 -12.009) 13.096 11.910 ( 9.039 -5.854 4.884) 11.825 12.401 ( 11.394 -1.107 -8.147) 14.051 13.517 ( 0.627 -5.120 -3.343) 6.146 13.726 ( -3.971 2.166 -4.032) 6.059 16.506 ( -8.005 -2.331 17.142) 19.062 17.362 ( -15.628 -2.193 -13.058) 20.484 30.917 ( 12.572 1.884 3.874) 13.290 31.179 ( 11.235 -1.789 -3.688) 11.960 35.089 ( -2.296 0.783 1.118) 2.671 35.277 ( -3.583 -2.134 -3.842) 5.670 76.376 ( -16.386 16.127 7.270) 24.113 76.816 ( -26.712 5.149 -5.625) 27.779 ======================= Grid point 559 (181/240) ======================= q-point: ( 0.27 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 6.932 3.401 0.486) 7.736 2.607 ( 0.244 -7.665 -9.300) 12.054 3.483 ( 6.640 10.133 11.901) 16.982 4.047 ( 6.647 5.719 -3.921) 9.605 4.660 ( 10.307 -7.774 9.871) 16.251 4.831 ( 10.714 -0.356 4.493) 11.624 7.492 ( -5.093 -3.321 11.549) 13.052 7.817 ( -7.022 0.933 0.821) 7.131 9.185 ( 6.037 -4.032 -0.040) 7.260 9.471 ( 0.451 0.472 -9.523) 9.545 10.907 ( 9.196 3.860 -0.348) 9.979 11.318 ( 8.469 2.191 -9.089) 12.615 12.146 ( 14.335 -4.777 4.137) 15.666 12.621 ( 9.954 0.452 -8.114) 12.850 13.506 ( -1.408 -4.134 -5.394) 6.941 13.648 ( -3.429 1.486 -3.892) 5.395 16.358 ( -6.461 -0.685 15.027) 16.371 17.051 ( -15.227 -1.202 -9.461) 17.968 31.174 ( 12.912 2.017 3.558) 13.544 31.400 ( 10.683 -1.631 -2.934) 11.198 35.046 ( -1.962 0.569 1.622) 2.608 35.204 ( -3.669 -1.920 -2.690) 4.938 76.049 ( -16.004 11.596 5.953) 20.640 76.309 ( -23.554 5.065 -1.249) 24.125 ======================= Grid point 560 (182/240) ======================= q-point: ( 0.33 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 7.556 0.265 0.817) 7.605 2.614 ( 0.420 -6.224 -5.828) 8.537 3.508 ( -2.579 9.881 12.552) 16.181 3.971 ( -9.955 4.598 1.438) 11.059 4.981 ( 18.068 -8.819 4.792) 20.669 5.101 ( 14.441 -5.763 2.834) 15.804 7.402 ( -3.775 -4.170 9.671) 11.188 7.684 ( -6.281 -0.365 1.131) 6.393 9.258 ( 1.703 -4.204 -2.714) 5.286 9.450 ( -1.840 -1.535 -8.745) 9.068 11.106 ( 10.248 4.495 1.868) 11.345 11.468 ( 6.131 3.435 -5.180) 8.730 12.443 ( 14.143 -2.328 2.948) 14.633 12.772 ( 5.030 2.423 -5.189) 7.622 13.474 ( -1.485 -2.499 -7.298) 7.856 13.606 ( -0.609 0.002 -7.138) 7.164 16.261 ( -3.175 0.854 12.396) 12.825 16.769 ( -12.849 0.040 -5.659) 14.040 31.417 ( 11.282 2.000 3.011) 11.847 31.592 ( 8.340 -1.086 -1.945) 8.633 35.014 ( -1.217 0.199 1.874) 2.243 35.134 ( -3.317 -1.745 -1.481) 4.030 75.756 ( -13.151 7.594 4.914) 15.961 75.897 ( -17.625 3.892 1.315) 18.097 ======================= Grid point 561 (183/240) ======================= q-point: ( 0.40 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 6.663 -2.610 1.198) 7.256 2.622 ( 0.452 -4.118 -1.974) 4.589 3.435 ( -3.747 6.907 10.865) 13.409 3.746 ( -11.470 2.704 3.587) 12.319 5.294 ( 12.604 -8.530 3.382) 15.591 5.354 ( 10.233 -7.896 2.727) 13.210 7.347 ( -1.664 -4.183 7.443) 8.698 7.573 ( -4.717 -2.692 1.515) 5.638 9.270 ( -0.069 -3.559 -4.097) 5.428 9.415 ( -1.411 -3.758 -7.745) 8.724 11.299 ( 8.845 5.314 2.766) 10.683 11.553 ( 2.397 3.734 -1.764) 4.775 12.658 ( 6.607 0.791 3.603) 7.567 12.837 ( 2.252 2.483 -2.060) 3.934 13.465 ( 0.963 -0.819 -9.460) 9.544 13.612 ( 0.632 -1.027 -11.228) 11.293 16.234 ( 0.406 2.121 9.240) 9.489 16.546 ( -9.557 1.294 -1.811) 9.813 31.612 ( 8.126 1.769 2.254) 8.616 31.724 ( 4.755 -0.326 -0.855) 4.842 34.999 ( -0.256 -0.276 1.804) 1.843 35.074 ( -2.645 -1.526 -0.326) 3.071 75.538 ( -8.580 4.663 4.272) 10.659 75.615 ( -10.673 2.530 2.524) 11.255 ======================= Grid point 562 (184/240) ======================= q-point: ( 0.47 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 1.808 -3.698 1.843) 4.510 2.640 ( 1.395 -3.343 0.558) 3.665 3.391 ( -0.452 4.537 8.579) 9.715 3.556 ( -6.347 1.905 4.878) 8.228 5.467 ( 4.586 -8.515 3.044) 10.139 5.491 ( 3.363 -8.567 2.983) 9.675 7.331 ( -0.203 -3.531 5.613) 6.635 7.504 ( -1.940 -4.911 2.078) 5.674 9.266 ( -0.180 -2.998 -4.497) 5.408 9.396 ( -0.493 -5.082 -7.115) 8.757 11.443 ( 4.971 6.267 2.222) 8.302 11.564 ( -0.942 3.395 0.838) 3.622 12.718 ( 0.749 3.463 4.425) 5.669 12.873 ( 1.019 1.077 -0.286) 1.510 13.504 ( 2.062 0.137 -11.496) 11.681 13.613 ( -0.497 -1.310 -12.975) 13.050 16.270 ( 2.836 3.083 5.823) 7.173 16.391 ( -5.707 1.907 1.894) 6.308 31.733 ( 3.779 1.350 1.351) 4.234 31.777 ( 0.698 0.418 0.219) 0.842 35.004 ( 0.756 -0.766 1.395) 1.762 35.030 ( -1.750 -1.209 0.662) 2.227 75.422 ( -2.967 3.093 3.986) 5.853 75.473 ( -3.559 1.706 2.951) 4.928 ======================= Grid point 570 (185/240) ======================= q-point: ( 0.00 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 0.000 3.125 3.169) 4.451 2.176 ( 0.000 14.029 -8.754) 16.536 2.326 ( 0.000 -1.110 -3.280) 3.463 2.440 ( 0.000 -12.625 -14.059) 18.896 4.899 ( 0.000 9.984 15.152) 18.146 5.060 ( 0.000 -1.431 9.697) 9.802 7.809 ( 0.000 1.266 14.747) 14.801 8.145 ( 0.000 -1.938 1.006) 2.184 8.336 ( 0.000 0.826 3.341) 3.442 8.636 ( 0.000 -0.567 -5.422) 5.452 10.859 ( 0.000 1.157 -9.067) 9.140 11.133 ( 0.000 -3.998 -17.555) 18.005 11.744 ( 0.000 -0.377 4.158) 4.175 11.993 ( 0.000 -0.243 -3.129) 3.138 13.246 ( 0.000 -2.944 3.717) 4.742 13.888 ( 0.000 1.336 -10.083) 10.171 16.753 ( 0.000 -1.595 20.508) 20.569 17.888 ( 0.000 -1.596 -19.600) 19.664 30.494 ( 0.000 0.615 3.502) 3.555 30.745 ( 0.000 -0.368 -3.719) 3.737 35.190 ( 0.000 0.253 -0.870) 0.906 35.368 ( 0.000 -1.069 -5.690) 5.790 77.403 ( 0.000 17.313 3.550) 17.673 77.801 ( 0.000 -8.836 -9.991) 13.338 ======================= Grid point 571 (186/240) ======================= q-point: ( 0.07 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 0.857 12.778 -7.526) 14.854 2.307 ( 17.632 2.267 2.158) 17.908 2.426 ( 2.153 -9.520 -11.359) 14.977 2.559 ( 19.263 -2.562 -5.076) 20.085 4.866 ( -3.317 9.040 14.902) 17.742 5.022 ( -3.732 -0.949 9.493) 10.245 7.776 ( -3.151 1.049 14.722) 15.092 8.123 ( -2.202 -1.710 0.902) 2.930 8.444 ( 10.265 0.538 3.975) 11.021 8.787 ( 14.183 -0.331 -6.095) 15.441 10.839 ( -1.812 1.543 -9.074) 9.381 11.111 ( -2.000 -3.387 -17.350) 17.791 11.715 ( -1.949 -1.120 4.843) 5.339 12.036 ( 4.380 -0.402 -4.291) 6.145 13.297 ( 4.490 -2.745 2.870) 5.994 13.876 ( -1.270 1.307 -9.099) 9.280 16.715 ( -3.734 -1.503 20.075) 20.475 17.813 ( -7.314 -1.503 -18.759) 20.191 30.551 ( 5.708 0.644 3.500) 6.727 30.798 ( 5.289 -0.447 -3.611) 6.420 35.178 ( -1.183 0.270 -0.688) 1.395 35.352 ( -1.538 -1.032 -5.429) 5.737 77.302 ( -9.942 16.310 3.662) 19.449 77.667 ( -13.067 -7.794 -8.692) 17.523 ======================= Grid point 572 (187/240) ======================= q-point: ( 0.13 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 1.558 11.510 -7.180) 13.655 2.420 ( 0.309 -10.779 -11.731) 15.934 2.793 ( 26.529 2.164 4.311) 26.964 3.072 ( 29.801 -0.728 -3.964) 30.072 4.771 ( -6.173 5.920 14.348) 16.704 4.923 ( -5.751 0.569 8.695) 10.440 7.690 ( -5.316 0.341 14.649) 15.588 8.060 ( -4.109 -0.957 0.683) 4.273 8.702 ( 14.373 -0.198 5.012) 15.223 9.130 ( 17.939 0.278 -7.815) 19.570 10.806 ( -0.786 2.472 -8.802) 9.176 11.077 ( -0.304 -2.508 -16.064) 16.261 11.712 ( 2.389 -2.171 5.608) 6.471 12.169 ( 8.906 -0.710 -6.849) 11.257 13.390 ( 4.067 -2.373 1.057) 4.826 13.835 ( -2.884 1.247 -6.862) 7.547 16.612 ( -6.322 -1.212 18.905) 19.971 17.610 ( -12.673 -1.272 -16.451) 20.805 30.713 ( 10.215 0.724 3.470) 10.813 30.946 ( 9.257 -0.618 -3.261) 9.834 35.145 ( -2.028 0.306 -0.210) 2.062 35.309 ( -2.749 -0.953 -4.703) 5.530 77.026 ( -17.232 13.689 3.883) 22.348 77.309 ( -21.984 -5.357 -5.545) 23.297 ======================= Grid point 573 (188/240) ======================= q-point: ( 0.20 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 2.663 9.026 -5.878) 11.096 2.430 ( 0.900 -9.387 -10.057) 13.787 3.304 ( 22.967 2.656 7.056) 24.173 3.676 ( 29.417 0.045 -4.326) 29.734 4.625 ( -8.037 0.985 14.105) 16.264 4.820 ( -3.597 1.953 6.683) 7.837 7.572 ( -6.420 -0.587 14.307) 15.692 7.960 ( -5.862 -0.115 0.540) 5.888 8.967 ( 11.227 -0.889 4.371) 12.081 9.411 ( 8.783 0.626 -9.580) 13.012 10.836 ( 4.228 2.706 -7.098) 8.694 11.146 ( 7.627 -1.280 -13.935) 15.937 11.824 ( 9.133 -2.482 6.076) 11.246 12.381 ( 12.019 -0.671 -9.001) 15.030 13.443 ( 1.213 -2.036 -1.109) 2.616 13.763 ( -4.210 1.163 -4.878) 6.548 16.477 ( -6.943 -0.730 17.246) 18.605 17.329 ( -15.015 -0.970 -13.154) 19.985 30.944 ( 12.720 0.827 3.352) 13.180 31.153 ( 11.162 -0.741 -2.647) 11.496 35.101 ( -2.346 0.328 0.400) 2.403 35.246 ( -3.436 -0.882 -3.650) 5.090 76.643 ( -20.485 10.325 4.002) 23.286 76.832 ( -25.079 -2.852 -2.081) 25.326 ======================= Grid point 574 (189/240) ======================= q-point: ( 0.27 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 3.633 5.759 -4.019) 7.907 2.458 ( 1.941 -7.136 -7.501) 10.533 3.636 ( 9.081 4.661 10.790) 14.853 4.124 ( 8.661 2.047 -2.446) 9.230 4.539 ( 5.969 -3.750 11.817) 13.760 4.827 ( 5.191 -0.130 3.261) 6.132 7.445 ( -5.997 -1.304 13.423) 14.760 7.829 ( -7.168 0.299 0.666) 7.205 9.132 ( 5.473 -1.421 1.252) 5.792 9.480 ( -0.649 0.313 -10.161) 10.186 10.973 ( 9.068 2.196 -3.579) 9.993 11.339 ( 10.087 0.279 -10.235) 14.373 12.077 ( 15.836 -1.992 5.112) 16.760 12.623 ( 11.435 -0.095 -9.093) 14.610 13.444 ( -0.811 -1.757 -3.703) 4.179 13.678 ( -3.994 0.986 -4.633) 6.196 16.351 ( -5.366 -0.154 15.184) 16.105 17.032 ( -14.432 -0.586 -9.345) 17.203 31.204 ( 12.972 0.904 3.105) 13.369 31.376 ( 10.911 -0.721 -1.825) 11.086 35.055 ( -2.137 0.292 0.964) 2.362 35.176 ( -3.557 -0.830 -2.436) 4.390 76.237 ( -19.787 7.058 3.928) 21.372 76.345 ( -23.164 -1.125 0.588) 23.199 ======================= Grid point 575 (190/240) ======================= q-point: ( 0.33 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 4.195 2.047 -1.652) 4.952 2.506 ( 2.806 -4.204 -4.442) 6.729 3.671 ( -3.967 5.495 12.438) 14.164 4.016 ( -11.957 0.363 6.122) 13.438 4.861 ( 18.861 -3.151 3.110) 19.373 5.013 ( 11.903 -2.752 1.446) 12.302 7.344 ( -3.929 -1.576 11.787) 12.524 7.680 ( -7.648 -0.050 1.215) 7.745 9.201 ( 1.995 -1.538 -2.165) 3.321 9.430 ( -3.515 -0.471 -9.489) 10.130 11.173 ( 10.526 2.031 -0.216) 10.722 11.507 ( 6.545 0.845 -5.383) 8.516 12.409 ( 16.031 -0.970 3.420) 16.420 12.805 ( 6.345 0.872 -6.078) 8.830 13.428 ( -0.321 -1.473 -6.920) 7.082 13.619 ( -1.684 0.629 -7.149) 7.372 16.274 ( -2.223 0.388 12.580) 12.781 16.768 ( -11.899 -0.088 -5.393) 13.065 31.447 ( 11.189 0.901 2.717) 11.550 31.575 ( 8.805 -0.543 -0.909) 8.868 35.018 ( -1.515 0.172 1.345) 2.033 35.108 ( -3.179 -0.767 -1.219) 3.490 75.876 ( -16.068 4.430 3.732) 17.080 75.931 ( -18.016 -0.292 2.163) 18.148 ======================= Grid point 576 (191/240) ======================= q-point: ( 0.40 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 4.267 -0.792 0.922) 4.437 2.562 ( 2.445 -1.794 -1.158) 3.246 3.553 ( -6.225 4.217 11.413) 13.667 3.766 ( -12.155 -0.279 7.288) 14.175 5.180 ( 12.617 -2.911 1.913) 13.089 5.238 ( 9.596 -3.517 1.531) 10.334 7.296 ( -0.856 -1.227 9.426) 9.544 7.533 ( -6.953 -1.196 2.346) 7.435 9.227 ( 0.968 -0.974 -4.339) 4.551 9.361 ( -3.214 -1.609 -8.197) 8.950 11.372 ( 9.130 2.034 1.526) 9.478 11.598 ( 2.536 1.019 -1.731) 3.235 12.667 ( 9.346 0.215 3.485) 9.977 12.873 ( 0.916 1.023 -1.697) 2.183 13.447 ( 2.481 -0.656 -10.408) 10.720 13.605 ( -0.193 0.026 -10.896) 10.898 16.264 ( 1.154 0.838 9.392) 9.499 16.562 ( -8.777 0.424 -1.529) 8.919 31.639 ( 7.862 0.791 2.200) 8.202 31.717 ( 5.319 -0.254 -0.005) 5.325 34.997 ( -0.626 -0.022 1.456) 1.585 35.052 ( -2.429 -0.657 -0.134) 2.520 75.611 ( -10.382 2.678 3.548) 11.294 75.639 ( -11.211 -0.064 2.871) 11.573 ======================= Grid point 577 (192/240) ======================= q-point: ( 0.47 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 3.081 -1.123 2.668) 4.228 2.588 ( -0.075 -1.664 1.700) 2.381 3.474 ( -1.027 3.330 9.413) 10.037 3.567 ( -6.922 -0.633 7.583) 10.287 5.352 ( 4.557 -2.985 1.829) 5.747 5.369 ( 3.240 -3.590 1.822) 5.168 7.307 ( 1.596 0.518 6.806) 7.009 7.415 ( -4.330 -3.512 4.103) 6.922 9.245 ( 0.710 0.521 -5.528) 5.597 9.310 ( -1.614 -3.344 -6.947) 7.877 11.524 ( 5.830 2.092 1.649) 6.410 11.606 ( -1.639 1.058 0.584) 2.036 12.784 ( 2.845 2.816 3.550) 5.350 12.868 ( -0.747 -1.219 1.200) 1.867 13.515 ( 3.534 0.687 -12.548) 13.054 13.589 ( -1.627 -0.908 -12.878) 13.012 16.314 ( 3.716 1.248 5.862) 7.052 16.416 ( -5.984 0.628 2.185) 6.401 31.753 ( 3.537 0.631 1.574) 3.922 31.781 ( 1.054 0.016 0.822) 1.336 34.994 ( 0.398 -0.251 1.249) 1.335 35.013 ( -1.454 -0.487 0.711) 1.690 75.470 ( -3.582 1.825 3.461) 5.304 75.489 ( -3.783 -0.072 3.082) 4.880 ======================= Grid point 660 (193/240) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 0.000 0.000 15.473) 15.473 2.167 ( 0.000 0.000 -11.644) 11.644 2.492 ( 0.000 0.000 19.509) 19.509 2.827 ( 0.000 0.000 -11.544) 11.544 3.760 ( 0.000 0.000 23.650) 23.650 4.189 ( 0.000 0.000 -16.509) 16.509 8.198 ( 0.000 0.000 9.296) 9.296 8.384 ( 0.000 0.000 -8.472) 8.472 8.386 ( 0.000 0.000 9.674) 9.674 8.578 ( 0.000 0.000 -8.408) 8.408 11.044 ( 0.000 0.000 9.056) 9.056 11.209 ( 0.000 0.000 -6.502) 6.502 11.900 ( 0.000 0.000 2.270) 2.270 11.955 ( 0.000 0.000 -2.945) 2.945 13.756 ( 0.000 0.000 7.052) 7.052 13.933 ( 0.000 0.000 -9.395) 9.395 17.562 ( 0.000 0.000 8.962) 8.962 17.775 ( 0.000 0.000 -10.997) 10.997 30.516 ( 0.000 0.000 6.806) 6.806 30.661 ( 0.000 0.000 -6.885) 6.885 35.232 ( 0.000 0.000 9.817) 9.817 35.444 ( 0.000 0.000 -10.148) 10.148 76.017 ( 0.000 0.000 12.412) 12.412 76.289 ( 0.000 0.000 -13.190) 13.190 ======================= Grid point 661 (194/240) ======================= q-point: ( 0.07 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 17.626 0.000 14.895) 23.077 2.342 ( 14.520 0.000 -7.535) 16.359 2.542 ( 6.248 0.000 14.106) 15.428 2.836 ( 1.054 0.000 -10.688) 10.740 3.806 ( 5.100 0.000 22.254) 22.831 4.208 ( 2.311 0.000 -15.414) 15.586 8.074 ( -8.537 0.000 4.297) 9.557 8.099 ( -12.303 0.000 2.398) 12.535 8.726 ( 17.492 0.000 -0.500) 17.500 8.774 ( 15.385 0.000 -4.293) 15.972 10.987 ( -4.820 0.000 8.447) 9.725 11.141 ( -5.785 0.000 -6.071) 8.386 11.960 ( 5.454 0.000 2.175) 5.872 12.015 ( 5.313 0.000 -3.077) 6.140 13.750 ( -0.708 0.000 7.197) 7.232 13.930 ( -0.474 0.000 -9.584) 9.595 17.483 ( -7.748 0.000 9.531) 12.283 17.702 ( -7.232 0.000 -11.074) 13.226 30.573 ( 5.625 0.000 7.066) 9.032 30.728 ( 6.438 0.000 -7.555) 9.926 35.220 ( -1.124 0.000 9.428) 9.495 35.422 ( -2.102 0.000 -9.551) 9.779 75.967 ( -4.882 0.000 11.109) 12.134 76.200 ( -8.453 0.000 -10.683) 13.622 ======================= Grid point 662 (195/240) ======================= q-point: ( 0.13 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 16.928 0.000 15.329) 22.838 2.546 ( 6.392 0.000 12.479) 14.020 2.830 ( 19.151 0.000 -10.278) 21.734 2.879 ( 3.755 0.000 -9.048) 9.797 4.000 ( 15.386 0.000 18.007) 23.685 4.315 ( 9.636 0.000 -11.641) 15.112 7.898 ( -7.931 0.000 3.589) 8.706 7.924 ( -6.218 0.000 0.959) 6.291 9.054 ( 14.775 0.000 0.016) 14.775 9.095 ( 15.602 0.000 -3.300) 15.947 10.895 ( -3.639 0.000 6.975) 7.867 11.024 ( -5.063 0.000 -5.173) 7.239 12.094 ( 7.675 0.000 1.697) 7.860 12.141 ( 7.006 0.000 -2.892) 7.579 13.724 ( -2.004 0.000 7.321) 7.590 13.907 ( -2.029 0.000 -9.842) 10.049 17.268 ( -13.361 0.000 10.572) 17.038 17.497 ( -13.012 0.000 -11.123) 17.118 30.729 ( 9.717 0.000 7.517) 12.285 30.900 ( 10.362 0.000 -8.715) 13.539 35.191 ( -1.773 0.000 8.415) 8.599 35.367 ( -3.281 0.000 -8.127) 8.764 75.838 ( -7.604 0.000 8.081) 11.096 75.986 ( -12.075 0.000 -5.503) 13.270 ======================= Grid point 663 (196/240) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 5.688 0.000 11.224) 12.583 2.678 ( 5.763 0.000 14.036) 15.173 2.994 ( 7.036 0.000 -5.059) 8.666 3.138 ( 10.504 0.000 -14.639) 18.018 4.426 ( 26.544 0.000 12.521) 29.349 4.626 ( 21.404 0.000 -6.320) 22.317 7.779 ( -4.162 0.000 3.870) 5.684 7.829 ( -3.364 0.000 -0.968) 3.500 9.296 ( 9.455 0.000 1.233) 9.535 9.360 ( 10.527 0.000 -4.153) 11.317 10.858 ( -0.148 0.000 5.385) 5.387 10.959 ( -1.431 0.000 -4.187) 4.425 12.259 ( 8.813 0.000 1.158) 8.889 12.291 ( 8.175 0.000 -2.177) 8.459 13.668 ( -3.659 0.000 6.968) 7.870 13.845 ( -4.126 0.000 -9.843) 10.673 16.973 ( -15.806 0.000 10.967) 19.238 17.201 ( -16.269 0.000 -10.758) 19.504 30.945 ( 11.589 0.000 7.541) 13.826 31.120 ( 11.311 0.000 -9.089) 14.510 35.154 ( -1.789 0.000 7.084) 7.306 35.299 ( -3.421 0.000 -6.481) 7.328 75.682 ( -7.746 0.000 4.986) 9.212 75.751 ( -11.046 0.000 -1.146) 11.105 ======================= Grid point 664 (197/240) ======================= q-point: ( 0.27 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 1.808 0.000 10.717) 10.869 2.765 ( 4.254 0.000 6.807) 8.027 3.123 ( 5.640 0.000 -1.354) 5.800 3.264 ( 3.278 0.000 -12.820) 13.232 4.995 ( 29.064 0.000 8.416) 30.258 5.115 ( 26.027 0.000 -2.926) 26.191 7.728 ( -1.039 0.000 3.656) 3.801 7.787 ( -0.894 0.000 -1.999) 2.190 9.434 ( 4.679 0.000 1.476) 4.907 9.509 ( 4.739 0.000 -5.024) 6.906 10.879 ( 1.902 0.000 4.297) 4.699 10.958 ( 0.878 0.000 -3.251) 3.367 12.437 ( 8.846 0.000 1.341) 8.947 12.464 ( 8.979 0.000 -1.509) 9.105 13.582 ( -4.809 0.000 6.003) 7.691 13.747 ( -5.591 0.000 -9.686) 11.183 16.661 ( -14.989 0.000 10.187) 18.123 16.870 ( -16.527 0.000 -9.647) 19.137 31.176 ( 11.376 0.000 6.784) 13.245 31.336 ( 10.088 0.000 -8.303) 13.066 35.123 ( -1.327 0.000 5.662) 5.816 35.235 ( -2.939 0.000 -4.886) 5.702 75.540 ( -6.281 0.000 2.836) 6.891 75.560 ( -8.025 0.000 1.266) 8.125 ======================= Grid point 665 (198/240) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 0.999 0.000 7.385) 7.452 2.826 ( 1.828 0.000 2.036) 2.736 3.218 ( 3.936 0.000 0.223) 3.942 3.304 ( 1.232 0.000 -7.861) 7.957 5.534 ( 24.306 0.000 5.660) 24.956 5.605 ( 22.296 0.000 -1.080) 22.322 7.733 ( 1.332 0.000 3.198) 3.464 7.788 ( 0.834 0.000 -2.107) 2.267 9.496 ( 1.950 0.000 0.407) 1.992 9.564 ( 1.137 0.000 -5.415) 5.533 10.921 ( 2.177 0.000 3.514) 4.134 10.980 ( 1.076 0.000 -2.085) 2.347 12.598 ( 6.952 0.000 2.469) 7.377 12.633 ( 7.550 0.000 -1.132) 7.634 13.487 ( -4.377 0.000 4.295) 6.133 13.633 ( -5.642 0.000 -9.481) 11.033 16.394 ( -11.485 0.000 8.267) 14.151 16.562 ( -14.047 0.000 -7.636) 15.989 31.387 ( 9.569 0.000 5.252) 10.915 31.512 ( 7.522 0.000 -6.619) 10.020 35.103 ( -0.658 0.000 4.229) 4.280 35.183 ( -2.256 0.000 -3.341) 4.031 75.432 ( -4.932 0.000 2.197) 5.399 75.435 ( -4.328 0.000 1.771) 4.676 ======================= Grid point 666 (199/240) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( 0.917 0.000 3.790) 3.899 2.841 ( -0.166 0.000 -0.999) 1.013 3.281 ( 2.494 0.000 0.970) 2.676 3.323 ( 0.704 0.000 -3.106) 3.185 5.937 ( 15.782 0.000 3.708) 16.212 5.974 ( 14.325 0.000 0.176) 14.327 7.772 ( 2.327 0.000 2.464) 3.389 7.812 ( 1.246 0.000 -1.321) 1.816 9.523 ( 0.914 0.000 -1.378) 1.654 9.568 ( -0.416 0.000 -5.330) 5.346 10.960 ( 1.683 0.000 2.702) 3.184 10.996 ( 0.497 0.000 -0.684) 0.846 12.706 ( 3.961 0.000 3.642) 5.381 12.747 ( 3.613 0.000 -0.124) 3.615 13.423 ( -1.762 0.000 1.288) 2.183 13.532 ( -4.358 0.000 -8.759) 9.784 16.215 ( -6.411 0.000 5.473) 8.429 16.323 ( -9.738 0.000 -4.801) 10.857 31.550 ( 6.703 0.000 3.140) 7.402 31.630 ( 4.188 0.000 -4.392) 6.069 35.096 ( 0.003 0.000 2.778) 2.778 35.145 ( -1.611 0.000 -1.797) 2.413 75.359 ( -2.461 0.000 2.308) 3.374 75.367 ( -2.510 0.000 1.506) 2.927 ======================= Grid point 667 (200/240) ======================= q-point: ( 0.47 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 1.045 0.000 0.635) 1.223 2.828 ( -0.992 0.000 -1.261) 1.604 3.318 ( 1.184 0.000 0.928) 1.504 3.330 ( -0.059 0.000 -0.248) 0.255 6.152 ( 5.741 0.000 2.297) 6.184 6.164 ( 4.564 0.000 1.206) 4.721 7.813 ( 1.560 0.000 1.378) 2.081 7.828 ( 0.149 0.000 0.009) 0.149 9.539 ( 0.778 0.000 -3.227) 3.319 9.555 ( -0.818 0.000 -4.625) 4.697 10.987 ( 0.967 0.000 1.767) 2.014 10.999 ( -0.214 0.000 0.650) 0.684 12.761 ( 1.755 0.000 3.534) 3.946 12.780 ( 0.021 0.000 1.918) 1.918 13.419 ( 1.180 0.000 -2.902) 3.133 13.460 ( -2.837 0.000 -6.607) 7.191 16.142 ( -0.865 0.000 2.130) 2.298 16.180 ( -4.593 0.000 -1.421) 4.808 31.649 ( 3.230 0.000 0.688) 3.303 31.677 ( 0.498 0.000 -1.888) 1.953 35.102 ( 0.565 0.000 1.286) 1.404 35.118 ( -1.067 0.000 -0.247) 1.095 75.330 ( -0.604 0.000 2.044) 2.132 75.333 ( -0.937 0.000 1.694) 1.936 ======================= Grid point 675 (201/240) ======================= q-point: ( 0.00 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 0.000 2.276 14.579) 14.756 2.176 ( 0.000 0.851 -11.149) 11.182 2.383 ( 0.000 -9.490 21.134) 23.167 2.763 ( 0.000 -6.169 -14.518) 15.774 3.909 ( 0.000 13.943 22.208) 26.222 4.298 ( 0.000 10.360 -14.445) 17.776 8.151 ( 0.000 -4.299 9.603) 10.521 8.341 ( 0.000 -4.083 -8.606) 9.526 8.388 ( 0.000 0.190 9.307) 9.309 8.574 ( 0.000 -0.415 -8.213) 8.223 11.054 ( 0.000 0.550 8.829) 8.846 11.214 ( 0.000 0.307 -6.443) 6.450 11.893 ( 0.000 -0.629 2.546) 2.622 11.954 ( 0.000 -0.169 -3.129) 3.133 13.714 ( 0.000 -3.898 5.744) 6.942 13.870 ( 0.000 -6.136 -8.753) 10.690 17.528 ( 0.000 -3.401 10.776) 11.300 17.771 ( 0.000 -0.713 -12.418) 12.439 30.520 ( 0.000 0.426 6.632) 6.646 30.662 ( 0.000 0.050 -6.712) 6.712 35.232 ( 0.000 -0.029 8.950) 8.950 35.429 ( 0.000 -1.481 -9.553) 9.667 76.121 ( 0.000 10.828 15.204) 18.665 76.462 ( 0.000 16.334 -17.248) 23.755 ======================= Grid point 676 (202/240) ======================= q-point: ( 0.07 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 16.644 1.619 14.398) 22.068 2.337 ( 11.594 -1.219 -1.292) 11.729 2.457 ( 10.675 -6.415 9.429) 15.621 2.776 ( 1.650 -5.777 -13.429) 14.711 3.943 ( 3.888 12.954 21.005) 24.983 4.310 ( 1.522 9.686 -13.504) 16.688 8.037 ( -8.052 -2.589 6.475) 10.652 8.116 ( -10.501 0.713 -0.606) 10.543 8.676 ( 16.682 -4.132 1.629) 17.263 8.762 ( 14.897 -1.543 -5.683) 16.019 10.993 ( -5.102 0.244 8.309) 9.753 11.145 ( -5.902 0.178 -6.089) 8.482 11.953 ( 5.347 -0.709 2.464) 5.930 12.013 ( 5.322 -0.240 -3.252) 6.242 13.711 ( -0.394 -3.580 5.967) 6.969 13.871 ( -0.073 -5.726 -8.945) 10.621 17.452 ( -7.403 -3.069 11.032) 13.636 17.697 ( -7.338 -0.784 -12.260) 14.309 30.577 ( 5.611 0.409 6.861) 8.873 30.727 ( 6.316 -0.085 -7.284) 9.641 35.220 ( -1.133 -0.033 8.620) 8.694 35.409 ( -1.999 -1.373 -9.019) 9.339 76.066 ( -5.333 10.411 13.881) 18.153 76.367 ( -9.005 15.809 -14.662) 23.366 ======================= Grid point 677 (203/240) ======================= q-point: ( 0.13 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 7.984 -7.077 17.274) 20.303 2.579 ( 14.217 2.071 7.796) 16.346 2.771 ( 11.439 -4.539 -7.800) 14.570 2.902 ( 16.008 1.493 -10.055) 18.963 4.097 ( 12.564 9.334 17.137) 23.209 4.388 ( 7.426 7.013 -10.285) 14.495 7.891 ( -6.338 -0.337 4.687) 7.890 7.944 ( -6.855 1.671 -0.466) 7.071 9.003 ( 15.313 -4.390 1.371) 15.988 9.071 ( 14.965 -2.511 -4.552) 15.842 10.897 ( -3.718 -0.161 7.067) 7.987 11.027 ( -4.923 0.170 -5.340) 7.265 12.083 ( 7.414 -1.112 2.255) 7.829 12.141 ( 7.182 -0.116 -3.379) 7.938 13.693 ( -1.564 -2.837 6.251) 7.041 13.857 ( -1.527 -4.825 -9.173) 10.476 17.246 ( -12.867 -2.253 11.477) 17.389 17.491 ( -12.992 -0.799 -11.852) 17.604 30.733 ( 9.729 0.403 7.253) 12.142 30.897 ( 10.281 -0.304 -8.280) 13.204 35.190 ( -1.805 -0.063 7.754) 7.962 35.356 ( -3.154 -1.134 -7.731) 8.426 75.924 ( -8.452 9.208 10.768) 16.498 76.137 ( -13.185 14.161 -9.177) 21.414 ======================= Grid point 678 (204/240) ======================= q-point: ( 0.20 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 5.637 -9.307 15.407) 18.862 2.744 ( 3.733 -2.287 -3.515) 5.614 2.992 ( 10.644 3.679 5.569) 12.564 3.227 ( 12.214 6.752 -12.536) 18.760 4.464 ( 23.805 3.680 11.733) 26.794 4.646 ( 18.770 1.960 -5.431) 19.638 7.786 ( -4.151 0.710 4.055) 5.846 7.839 ( -3.820 1.068 -1.129) 4.125 9.257 ( 9.905 -3.600 1.404) 10.632 9.327 ( 10.215 -3.159 -4.571) 11.628 10.863 ( 0.337 0.241 5.718) 5.733 10.970 ( -0.749 0.966 -4.467) 4.632 12.245 ( 8.819 -1.410 1.926) 9.136 12.294 ( 8.236 0.161 -3.020) 8.774 13.645 ( -3.270 -2.051 6.019) 7.150 13.805 ( -3.712 -3.943 -9.111) 10.599 16.961 ( -15.252 -1.216 11.432) 19.099 17.197 ( -16.019 -0.464 -11.117) 19.504 30.949 ( 11.655 0.481 7.252) 13.736 31.116 ( 11.371 -0.327 -8.587) 14.253 35.153 ( -1.850 -0.146 6.604) 6.860 35.290 ( -3.334 -0.915 -6.215) 7.112 75.748 ( -8.845 7.417 7.497) 13.764 75.876 ( -12.508 11.509 -4.319) 17.537 ======================= Grid point 679 (205/240) ======================= q-point: ( 0.27 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 5.016 -8.292 11.922) 15.364 2.794 ( 1.678 -3.087 -3.816) 5.187 3.152 ( 5.802 5.409 6.747) 10.413 3.370 ( 3.129 8.549 -11.784) 14.891 4.989 ( 27.431 -0.615 7.703) 28.499 5.094 ( 24.606 -2.105 -2.215) 24.795 7.727 ( -1.782 -0.094 3.795) 4.194 7.787 ( -1.595 -0.076 -1.915) 2.493 9.400 ( 4.803 -3.147 1.209) 5.868 9.473 ( 4.673 -3.495 -5.044) 7.713 10.898 ( 2.785 1.709 4.824) 5.827 10.987 ( 1.995 2.762 -3.664) 5.003 12.429 ( 9.387 -1.050 1.632) 9.585 12.464 ( 8.589 0.094 -1.991) 8.818 13.566 ( -4.530 -1.443 5.127) 6.992 13.714 ( -5.215 -3.209 -8.970) 10.861 16.661 ( -14.403 -0.067 10.426) 17.781 16.873 ( -16.119 0.241 -9.758) 18.844 31.183 ( 11.482 0.657 6.526) 13.223 31.335 ( 10.261 -0.091 -7.841) 12.914 35.120 ( -1.410 -0.284 5.346) 5.536 35.227 ( -2.905 -0.795 -4.714) 5.594 75.584 ( -7.407 5.414 5.107) 10.500 75.655 ( -9.525 8.362 -1.386) 12.751 ======================= Grid point 680 (206/240) ======================= q-point: ( 0.33 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 3.895 -5.793 7.799) 10.467 2.815 ( 0.532 -2.801 -2.719) 3.940 3.240 ( 3.368 3.795 4.995) 7.120 3.390 ( -0.368 7.208 -8.307) 11.005 5.503 ( 23.275 -3.195 5.191) 24.060 5.564 ( 21.550 -4.161 -0.613) 21.956 7.714 ( 0.412 -1.783 3.359) 3.826 7.771 ( -0.052 -1.669 -2.075) 2.664 9.464 ( 1.950 -3.100 0.240) 3.671 9.527 ( 1.227 -3.500 -5.283) 6.454 10.959 ( 3.018 3.599 4.291) 6.362 11.033 ( 2.334 5.031 -2.774) 6.201 12.598 ( 7.093 -0.078 2.092) 7.395 12.627 ( 7.474 -0.551 -0.977) 7.558 13.476 ( -4.194 -1.041 3.556) 5.596 13.608 ( -5.191 -2.426 -8.973) 10.647 16.405 ( -10.972 1.056 8.417) 13.869 16.573 ( -13.604 1.123 -7.587) 15.617 31.395 ( 9.674 0.872 5.073) 10.958 31.515 ( 7.733 0.298 -6.253) 9.949 35.098 ( -0.743 -0.448 4.039) 4.131 35.176 ( -2.256 -0.764 -3.233) 4.016 75.458 ( -5.213 3.587 3.732) 7.346 75.498 ( -6.251 5.372 0.023) 8.242 ======================= Grid point 681 (207/240) ======================= q-point: ( 0.40 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 2.494 -2.931 3.596) 5.267 2.818 ( -0.211 -2.470 -1.845) 3.090 3.293 ( 2.019 1.924 3.244) 4.278 3.373 ( -1.072 4.447 -4.165) 6.187 5.889 ( 15.126 -4.828 3.515) 16.262 5.922 ( 13.905 -5.262 0.423) 14.873 7.737 ( 1.610 -3.456 2.525) 4.573 7.778 ( 0.500 -3.290 -1.392) 3.607 9.489 ( 0.802 -3.232 -1.153) 3.524 9.535 ( -0.191 -3.229 -5.221) 6.141 11.011 ( 2.101 5.213 3.969) 6.881 11.074 ( 1.678 7.111 -1.901) 7.549 12.704 ( 3.638 -0.206 3.503) 5.054 12.743 ( 3.856 -0.363 -0.286) 3.884 13.415 ( -1.657 -0.798 0.843) 2.023 13.516 ( -3.888 -1.506 -8.592) 9.550 16.234 ( -6.116 1.900 5.659) 8.546 16.343 ( -9.356 1.956 -4.705) 10.653 31.560 ( 6.758 1.035 3.070) 7.495 31.637 ( 4.373 0.696 -4.142) 6.063 35.090 ( -0.067 -0.602 2.677) 2.745 35.137 ( -1.616 -0.772 -1.739) 2.496 75.378 ( -2.922 2.163 2.985) 4.704 75.402 ( -3.496 3.148 0.693) 4.756 ======================= Grid point 682 (208/240) ======================= q-point: ( 0.47 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 1.235 -1.426 0.444) 1.938 2.810 ( -0.575 -1.844 -1.070) 2.208 3.322 ( 0.915 0.897 1.985) 2.363 3.354 ( -0.702 2.241 -1.026) 2.563 6.095 ( 5.423 -5.734 2.338) 8.231 6.106 ( 4.496 -5.758 1.270) 7.415 7.768 ( 1.288 -4.492 1.325) 4.858 7.783 ( -0.136 -4.291 -0.138) 4.296 9.500 ( 0.334 -3.563 -2.307) 4.258 9.528 ( -0.323 -2.761 -4.947) 5.675 11.040 ( 0.735 6.146 3.869) 7.300 11.097 ( 0.626 8.374 -1.408) 8.515 12.750 ( 1.170 -0.808 4.054) 4.296 12.782 ( 0.538 0.109 0.966) 1.111 13.411 ( 1.025 -0.792 -2.962) 3.233 13.453 ( -2.437 -0.692 -6.791) 7.248 16.163 ( -1.087 2.156 2.583) 3.536 16.207 ( -4.129 2.642 -1.537) 5.138 31.660 ( 3.168 1.051 0.759) 3.423 31.687 ( 0.649 1.012 -1.781) 2.149 35.095 ( 0.521 -0.714 1.251) 1.532 35.111 ( -1.053 -0.765 -0.235) 1.322 75.340 ( -0.888 1.341 2.548) 3.013 75.356 ( -1.156 2.022 1.082) 2.568 ======================= Grid point 690 (209/240) ======================= q-point: ( 0.00 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 0.000 3.819 12.217) 12.800 2.192 ( 0.000 -8.953 21.683) 23.459 2.198 ( 0.000 1.362 -9.772) 9.866 2.615 ( 0.000 -8.310 -18.064) 19.884 4.241 ( 0.000 19.004 18.906) 26.807 4.551 ( 0.000 14.703 -10.411) 18.015 8.061 ( 0.000 -4.183 9.771) 10.629 8.249 ( 0.000 -4.716 -8.284) 9.533 8.393 ( 0.000 0.369 8.291) 8.300 8.562 ( 0.000 -0.717 -7.656) 7.689 11.042 ( 0.000 -2.307 8.367) 8.679 11.205 ( 0.000 -1.728 -7.176) 7.381 11.878 ( 0.000 -0.952 3.145) 3.286 11.948 ( 0.000 -0.417 -3.487) 3.512 13.628 ( 0.000 -4.562 2.603) 5.252 13.726 ( 0.000 -7.415 -6.732) 10.015 17.437 ( 0.000 -5.749 13.924) 15.064 17.735 ( 0.000 -3.174 -14.817) 15.153 30.531 ( 0.000 0.747 6.136) 6.182 30.663 ( 0.000 0.052 -6.217) 6.217 35.229 ( 0.000 -0.328 6.878) 6.886 35.390 ( 0.000 -2.486 -8.097) 8.470 76.423 ( 0.000 19.356 18.489) 26.767 76.850 ( 0.000 21.840 -22.413) 31.294 ======================= Grid point 691 (210/240) ======================= q-point: ( 0.07 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 8.912 -0.896 15.497) 17.899 2.268 ( 12.607 -3.010 14.978) 19.808 2.398 ( 16.912 -0.264 -8.803) 19.068 2.640 ( 3.645 -7.535 -16.301) 18.324 4.254 ( 1.590 17.865 17.979) 25.395 4.546 ( -0.209 13.782 -9.681) 16.844 7.990 ( -5.255 -1.920 8.106) 9.849 8.121 ( -7.678 -0.144 -3.940) 8.631 8.597 ( 14.912 -3.495 4.308) 15.911 8.721 ( 13.302 -2.325 -6.708) 15.078 10.977 ( -5.491 -2.302 8.016) 9.986 11.136 ( -5.931 -1.556 -7.032) 9.330 11.931 ( 4.803 -1.557 3.208) 5.982 12.004 ( 5.120 -0.743 -3.650) 6.332 13.634 ( 0.364 -3.997 2.873) 4.936 13.736 ( 0.724 -7.090 -6.849) 9.885 17.369 ( -6.660 -5.312 13.752) 16.177 17.661 ( -7.239 -3.007 -14.377) 16.375 30.588 ( 5.588 0.733 6.289) 8.445 30.725 ( 6.041 -0.122 -6.573) 8.928 35.217 ( -1.132 -0.315 6.675) 6.778 35.372 ( -1.746 -2.324 -7.703) 8.234 76.357 ( -6.383 18.718 17.108) 26.149 76.744 ( -10.196 21.279 -19.796) 30.800 ======================= Grid point 692 (211/240) ======================= q-point: ( 0.13 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 4.569 -7.172 17.823) 19.748 2.567 ( 5.638 -4.572 -11.321) 13.448 2.724 ( 21.723 1.349 7.189) 22.921 2.932 ( 23.688 1.632 -9.533) 25.586 4.328 ( 6.782 13.684 14.877) 21.321 4.563 ( 2.698 10.388 -7.259) 12.957 7.890 ( -4.660 0.267 6.213) 7.771 7.981 ( -6.338 2.041 -2.484) 7.107 8.912 ( 15.580 -4.423 3.009) 16.473 9.011 ( 14.456 -3.161 -5.868) 15.919 10.875 ( -3.729 -2.307 7.263) 8.484 11.021 ( -4.439 -1.130 -6.643) 8.069 12.049 ( 6.818 -2.513 3.539) 8.082 12.132 ( 7.391 -0.942 -4.346) 8.625 13.634 ( -0.605 -2.887 3.349) 4.463 13.742 ( -0.472 -6.248 -6.939) 9.349 17.183 ( -11.632 -4.107 13.273) 18.121 17.460 ( -12.586 -2.477 -13.306) 18.482 30.744 ( 9.774 0.750 6.539) 11.784 30.889 ( 10.098 -0.410 -7.187) 12.401 35.187 ( -1.848 -0.309 6.138) 6.418 35.325 ( -2.829 -1.959 -6.725) 7.554 76.185 ( -10.463 16.827 13.735) 24.109 76.477 ( -15.751 19.352 -13.897) 28.561 ======================= Grid point 693 (212/240) ======================= q-point: ( 0.20 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 5.727 -7.721 15.025) 17.837 2.631 ( 2.575 -7.455 -12.887) 15.109 3.121 ( 15.282 7.972 11.545) 20.745 3.360 ( 16.601 6.579 -10.619) 20.776 4.559 ( 16.772 5.823 9.819) 20.288 4.697 ( 11.875 3.246 -3.209) 12.722 7.802 ( -4.211 0.821 4.817) 6.450 7.868 ( -4.949 1.852 -1.608) 5.524 9.178 ( 10.556 -4.074 1.723) 11.446 9.257 ( 9.683 -3.439 -5.290) 11.557 10.854 ( 1.762 -1.309 6.486) 6.847 10.986 ( 1.029 0.334 -5.989) 6.086 12.203 ( 8.765 -2.915 3.668) 9.939 12.292 ( 8.632 -0.557 -4.771) 9.879 13.603 ( -2.504 -1.945 3.375) 4.630 13.709 ( -2.803 -5.296 -6.788) 9.055 16.926 ( -13.755 -2.389 12.419) 18.686 17.179 ( -15.164 -1.505 -11.874) 19.318 30.963 ( 11.831 0.892 6.473) 13.515 31.109 ( 11.517 -0.434 -7.310) 13.648 35.148 ( -1.971 -0.374 5.396) 5.757 35.265 ( -3.102 -1.610 -5.511) 6.526 75.961 ( -11.504 13.869 9.913) 20.566 76.153 ( -16.104 15.963 -8.039) 24.058 ======================= Grid point 694 (213/240) ======================= q-point: ( 0.27 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 6.363 -7.261 11.321) 14.878 2.681 ( 2.400 -7.204 -9.973) 12.535 3.316 ( 5.144 10.316 11.554) 16.322 3.555 ( 3.641 10.105 -10.652) 15.127 4.968 ( 22.908 -1.620 5.861) 23.701 5.034 ( 20.610 -4.031 -0.332) 21.003 7.724 ( -3.483 -0.251 4.184) 5.450 7.785 ( -3.450 0.005 -1.628) 3.815 9.328 ( 4.872 -3.895 0.652) 6.272 9.393 ( 4.269 -4.206 -4.974) 7.788 10.931 ( 5.337 1.374 5.987) 8.137 11.049 ( 4.726 3.216 -5.209) 7.734 12.394 ( 10.097 -2.510 3.104) 10.857 12.467 ( 8.686 0.109 -3.861) 9.506 13.536 ( -4.047 -1.378 2.755) 5.086 13.636 ( -4.372 -4.424 -6.797) 9.213 16.657 ( -12.817 -0.425 10.941) 16.857 16.875 ( -14.937 -0.108 -9.965) 17.956 31.201 ( 11.753 1.172 5.825) 13.170 31.333 ( 10.691 -0.081 -6.635) 12.582 35.112 ( -1.596 -0.536 4.521) 4.824 35.205 ( -2.807 -1.402 -4.238) 5.273 75.742 ( -10.212 10.332 6.772) 16.028 75.856 ( -13.343 11.742 -3.870) 18.191 ======================= Grid point 695 (214/240) ======================= q-point: ( 0.33 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 6.092 -6.016 7.200) 11.186 2.723 ( 1.730 -6.015 -6.351) 8.917 3.365 ( 0.619 8.497 9.213) 12.549 3.554 ( -2.664 9.305 -8.241) 12.712 5.412 ( 20.596 -6.114 3.993) 21.852 5.449 ( 19.680 -7.521 0.545) 21.075 7.670 ( -1.879 -2.599 3.731) 4.920 7.730 ( -2.153 -2.373 -1.866) 3.708 9.389 ( 1.692 -4.275 -0.127) 4.599 9.443 ( 1.261 -4.712 -4.904) 6.917 11.044 ( 5.649 4.741 5.676) 9.306 11.150 ( 5.000 6.455 -4.266) 9.212 12.585 ( 8.427 -1.333 2.135) 8.795 12.624 ( 6.811 0.397 -1.670) 7.024 13.453 ( -3.939 -1.131 1.650) 4.418 13.548 ( -4.143 -3.429 -7.420) 9.164 16.431 ( -9.567 1.490 8.729) 13.036 16.600 ( -12.379 1.478 -7.420) 14.508 31.419 ( 9.936 1.503 4.577) 11.042 31.523 ( 8.270 0.514 -5.272) 9.821 35.086 ( -0.952 -0.767 3.522) 3.728 35.155 ( -2.246 -1.333 -2.923) 3.920 75.563 ( -7.664 6.877 4.675) 11.309 75.629 ( -9.478 7.663 -1.413) 12.270 ======================= Grid point 696 (215/240) ======================= q-point: ( 0.40 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 4.740 -4.213 3.036) 7.031 2.748 ( 0.824 -4.435 -2.756) 5.286 3.363 ( -0.401 5.230 6.069) 8.022 3.481 ( -4.003 6.487 -4.857) 9.039 5.757 ( 13.588 -8.578 3.030) 16.353 5.779 ( 12.956 -9.104 0.960) 15.864 7.649 ( -0.310 -5.171 2.896) 5.935 7.697 ( -1.153 -4.531 -1.600) 4.942 9.409 ( 0.462 -4.812 -0.676) 4.882 9.455 ( 0.145 -4.675 -4.952) 6.812 11.144 ( 4.121 7.745 5.372) 10.287 11.237 ( 3.517 8.915 -3.218) 10.110 12.702 ( 3.385 0.081 2.974) 4.506 12.737 ( 4.283 -0.023 -0.729) 4.345 13.396 ( -1.558 -1.079 -0.198) 1.905 13.479 ( -2.759 -2.182 -7.987) 8.727 16.283 ( -5.236 2.987 5.997) 8.503 16.392 ( -8.365 2.899 -4.400) 9.886 31.588 ( 6.892 1.747 2.864) 7.665 31.655 ( 4.849 1.141 -3.462) 6.066 35.074 ( -0.248 -1.007 2.395) 2.610 35.116 ( -1.620 -1.327 -1.564) 2.614 75.441 ( -4.618 4.140 3.463) 7.104 75.479 ( -5.573 4.556 -0.118) 7.200 ======================= Grid point 697 (216/240) ======================= q-point: ( 0.47 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 1.716 -2.607 -0.018) 3.121 2.758 ( 0.384 -3.330 -0.474) 3.385 3.359 ( 0.059 2.972 3.498) 4.591 3.415 ( -2.158 3.979 -1.693) 4.833 5.941 ( 4.811 -9.714 2.359) 11.094 5.952 ( 4.281 -9.773 1.412) 10.762 7.651 ( 0.251 -7.012 1.905) 7.270 7.681 ( -0.473 -5.652 -0.926) 5.747 9.413 ( 0.085 -5.160 -0.991) 5.255 9.455 ( -0.043 -4.483 -4.994) 6.711 11.201 ( 1.533 9.637 5.123) 11.021 11.285 ( 1.257 10.107 -2.451) 10.475 12.740 ( 0.791 -0.050 4.094) 4.170 12.786 ( 0.879 0.412 -0.442) 1.067 13.391 ( 0.657 -1.228 -2.961) 3.273 13.436 ( -1.527 -1.048 -7.105) 7.343 16.222 ( -1.075 3.706 3.264) 5.054 16.273 ( -3.468 3.836 -1.476) 5.378 31.688 ( 3.030 1.765 0.919) 3.625 31.713 ( 1.014 1.641 -1.469) 2.424 35.076 ( 0.401 -1.198 1.152) 1.710 35.090 ( -1.006 -1.298 -0.195) 1.654 75.380 ( -1.507 2.616 2.858) 4.157 75.406 ( -1.854 2.918 0.495) 3.492 ======================= Grid point 705 (217/240) ======================= q-point: ( 0.00 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 0.000 4.228 9.104) 10.037 2.062 ( 0.000 -4.164 18.095) 18.568 2.225 ( 0.000 1.307 -7.783) 7.892 2.458 ( 0.000 -7.758 -18.708) 20.253 4.612 ( 0.000 18.505 15.151) 23.916 4.837 ( 0.000 14.145 -6.203) 15.445 8.008 ( 0.000 -1.138 9.404) 9.473 8.177 ( 0.000 -2.492 -6.861) 7.299 8.402 ( 0.000 0.492 6.875) 6.893 8.547 ( 0.000 -0.828 -6.832) 6.882 10.957 ( 0.000 -6.160 6.886) 9.239 11.129 ( 0.000 -6.264 -9.138) 11.079 11.859 ( 0.000 -0.944 3.718) 3.836 11.938 ( 0.000 -0.584 -3.754) 3.799 13.530 ( 0.000 -5.401 2.849) 6.107 13.636 ( 0.000 -1.576 -6.839) 7.019 17.315 ( 0.000 -6.436 16.067) 17.308 17.652 ( 0.000 -5.019 -16.532) 17.277 30.547 ( 0.000 0.872 5.403) 5.473 30.663 ( 0.000 -0.005 -5.486) 5.486 35.219 ( 0.000 -0.656 4.573) 4.620 35.338 ( 0.000 -2.720 -6.431) 6.983 76.830 ( 0.000 21.532 17.970) 28.045 77.250 ( 0.000 18.211 -22.136) 28.664 ======================= Grid point 706 (218/240) ======================= q-point: ( 0.07 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 1.761 -2.948 16.354) 16.711 2.283 ( 20.085 2.916 9.399) 22.366 2.387 ( 9.383 -2.011 -11.833) 15.235 2.514 ( 11.318 -4.523 -13.508) 18.194 4.603 ( -0.651 17.487 14.422) 22.676 4.815 ( -2.043 13.312 -5.633) 14.598 7.970 ( -3.102 -0.074 8.736) 9.271 8.117 ( -4.516 -0.068 -5.248) 6.924 8.549 ( 12.838 -1.414 5.556) 14.060 8.683 ( 12.168 -1.484 -6.744) 13.991 10.901 ( -4.866 -5.298 6.658) 9.802 11.070 ( -5.134 -5.381 -9.059) 11.721 11.893 ( 3.297 -2.225 4.162) 5.757 11.983 ( 4.356 -1.340 -4.270) 6.245 13.550 ( 1.645 -4.756 2.454) 5.598 13.645 ( 0.767 -1.655 -6.280) 6.539 17.256 ( -5.797 -5.994 15.676) 17.756 17.584 ( -6.730 -4.691 -15.965) 17.950 30.604 ( 5.588 0.877 5.472) 7.870 30.722 ( 5.773 -0.139 -5.630) 8.065 35.208 ( -1.089 -0.620 4.492) 4.664 35.323 ( -1.453 -2.569 -6.171) 6.840 76.752 ( -7.707 20.839 16.734) 27.816 77.136 ( -11.074 17.963 -19.915) 29.016 ======================= Grid point 707 (219/240) ======================= q-point: ( 0.13 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 3.720 -3.760 14.857) 15.771 2.447 ( 1.687 -6.742 -15.763) 17.227 2.784 ( 27.006 3.679 8.798) 28.640 2.961 ( 27.237 1.249 -7.821) 28.365 4.601 ( 1.053 13.870 12.035) 18.394 4.770 ( -2.041 10.411 -3.834) 11.281 7.900 ( -3.903 0.697 7.624) 8.593 8.019 ( -5.356 1.685 -3.763) 6.759 8.845 ( 15.398 -2.337 4.403) 16.185 8.965 ( 14.632 -1.314 -6.739) 16.163 10.810 ( -3.004 -3.989 6.353) 8.080 10.974 ( -3.256 -3.829 -8.871) 10.196 11.985 ( 5.913 -3.914 5.194) 8.790 12.101 ( 7.289 -2.185 -5.684) 9.498 13.578 ( 0.742 -3.359 1.751) 3.860 13.654 ( -0.224 -1.913 -5.128) 5.478 17.095 ( -10.070 -4.737 14.651) 18.398 17.397 ( -11.623 -3.788 -14.494) 18.961 30.761 ( 9.861 0.933 5.557) 11.357 30.882 ( 9.917 -0.363 -5.841) 11.515 35.178 ( -1.830 -0.553 4.270) 4.678 35.283 ( -2.441 -2.218 -5.493) 6.407 76.540 ( -13.055 18.777 13.636) 26.626 76.838 ( -17.986 16.849 -14.651) 28.671 ======================= Grid point 708 (220/240) ======================= q-point: ( 0.20 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 5.503 -4.372 12.181) 14.064 2.486 ( 2.359 -7.202 -13.577) 15.549 3.271 ( 19.874 7.078 10.318) 23.485 3.472 ( 21.759 4.792 -8.680) 23.911 4.679 ( 7.755 6.302 7.738) 12.639 4.769 ( 3.230 4.025 -0.638) 5.200 7.813 ( -4.768 0.287 6.414) 7.997 7.906 ( -5.903 1.779 -2.476) 6.644 9.112 ( 10.561 -2.593 2.817) 11.234 9.210 ( 9.131 -1.166 -6.379) 11.199 10.816 ( 3.894 -2.273 6.303) 7.750 10.974 ( 3.586 -1.568 -8.396) 9.264 12.132 ( 8.910 -4.295 5.867) 11.500 12.268 ( 9.366 -1.907 -6.874) 11.773 13.569 ( -1.717 -2.163 1.099) 2.972 13.628 ( -2.396 -2.173 -4.206) 5.306 16.873 ( -11.773 -2.877 13.200) 17.920 17.140 ( -13.774 -2.437 -12.476) 18.744 30.983 ( 12.060 1.106 5.409) 13.264 31.101 ( 11.686 -0.370 -5.722) 13.017 35.139 ( -2.045 -0.537 3.928) 4.461 35.230 ( -2.806 -1.866 -4.588) 5.692 76.255 ( -15.031 15.529 9.969) 23.801 76.456 ( -19.626 14.426 -8.982) 25.961 ======================= Grid point 709 (221/240) ======================= q-point: ( 0.27 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 6.697 -4.742 9.031) 12.202 2.540 ( 3.016 -6.998 -10.393) 12.888 3.526 ( 5.967 10.919 11.708) 17.085 3.750 ( 5.641 9.725 -9.357) 14.627 4.923 ( 15.870 -3.432 3.987) 16.719 4.947 ( 14.894 -4.250 1.722) 15.584 7.713 ( -5.135 -0.898 5.468) 7.555 7.790 ( -5.543 0.501 -1.887) 5.877 9.257 ( 4.368 -3.341 0.931) 5.577 9.326 ( 3.035 -2.450 -5.443) 6.696 10.950 ( 8.665 0.671 6.474) 10.837 11.100 ( 8.152 1.840 -7.451) 11.196 12.335 ( 11.166 -3.406 5.354) 12.843 12.463 ( 9.754 -0.658 -6.487) 11.733 13.512 ( -3.756 -1.534 0.443) 4.081 13.564 ( -3.832 -2.273 -4.167) 6.100 16.645 ( -10.726 -0.737 11.312) 15.606 16.867 ( -13.248 -0.741 -10.013) 16.623 31.226 ( 12.079 1.395 4.853) 13.092 31.332 ( 11.189 -0.035 -5.080) 12.288 35.100 ( -1.775 -0.630 3.451) 3.932 35.175 ( -2.664 -1.638 -3.562) 4.740 75.962 ( -14.037 11.608 6.802) 19.443 76.083 ( -17.368 10.978 -4.587) 21.052 ======================= Grid point 710 (222/240) ======================= q-point: ( 0.33 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 7.021 -4.659 5.693) 10.169 2.602 ( 3.064 -6.120 -6.633) 9.531 3.552 ( -2.030 10.409 10.444) 14.884 3.743 ( -4.673 9.915 -7.340) 13.192 5.265 ( 17.306 -9.068 3.221) 19.802 5.289 ( 17.265 -8.402 1.099) 19.233 7.618 ( -4.204 -2.608 4.802) 6.894 7.690 ( -4.402 -1.512 -1.961) 5.050 9.305 ( 0.939 -4.315 -0.091) 4.417 9.357 ( 0.608 -3.978 -4.887) 6.331 11.130 ( 8.908 3.945 6.481) 11.702 11.265 ( 7.821 5.028 -5.890) 11.007 12.554 ( 10.141 -1.670 3.554) 10.875 12.637 ( 7.308 0.812 -3.969) 8.356 13.432 ( -3.894 -1.256 -0.196) 4.096 13.489 ( -3.338 -2.200 -5.459) 6.766 16.459 ( -7.709 1.334 8.910) 11.857 16.626 ( -10.699 1.092 -7.097) 12.885 31.451 ( 10.238 1.712 3.865) 11.076 31.534 ( 8.914 0.544 -3.962) 9.770 35.070 ( -1.193 -0.828 2.806) 3.160 35.126 ( -2.208 -1.539 -2.450) 3.640 75.709 ( -11.054 7.757 4.600) 14.267 75.779 ( -13.049 7.348 -1.824) 15.086 ======================= Grid point 711 (223/240) ======================= q-point: ( 0.40 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 6.026 -4.098 2.413) 7.676 2.657 ( 2.386 -4.639 -2.729) 5.887 3.489 ( -3.533 7.414 7.642) 11.218 3.618 ( -6.830 7.394 -4.424) 10.995 5.566 ( 12.183 -10.757 2.683) 16.472 5.585 ( 11.797 -10.510 1.030) 15.834 7.552 ( -2.421 -4.481 4.075) 6.523 7.618 ( -2.814 -3.417 -2.060) 4.882 9.311 ( -0.081 -5.081 -0.166) 5.084 9.362 ( 0.007 -4.812 -4.908) 6.873 11.288 ( 6.647 6.694 5.905) 11.129 11.395 ( 5.064 6.985 -3.824) 9.437 12.707 ( 4.650 0.488 2.523) 5.312 12.749 ( 4.270 1.324 -1.628) 4.758 13.374 ( -1.622 -1.167 -1.131) 2.296 13.439 ( -1.740 -1.776 -7.129) 7.550 16.343 ( -3.974 2.995 6.153) 7.914 16.448 ( -7.082 2.695 -3.935) 8.538 31.625 ( 7.033 1.929 2.532) 7.720 31.678 ( 5.439 1.176 -2.525) 6.110 35.053 ( -0.482 -1.073 1.983) 2.305 35.088 ( -1.599 -1.499 -1.284) 2.540 75.529 ( -6.955 4.705 3.332) 9.034 75.569 ( -7.956 4.429 -0.361) 9.113 ======================= Grid point 712 (224/240) ======================= q-point: ( 0.47 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 1.499 -3.697 0.485) 4.019 2.697 ( 2.084 -2.999 -0.432) 3.677 3.437 ( -1.269 4.932 4.779) 6.984 3.506 ( -3.609 5.186 -1.587) 6.515 5.733 ( 4.356 -11.355 2.233) 12.366 5.743 ( 3.987 -11.288 1.329) 12.045 7.521 ( -0.716 -5.778 3.435) 6.760 7.580 ( -0.979 -4.541 -1.962) 5.043 9.308 ( -0.092 -5.453 -0.059) 5.454 9.361 ( -0.048 -5.111 -4.983) 7.138 11.383 ( 2.640 8.531 4.971) 10.220 11.462 ( 1.593 7.595 -1.951) 8.002 12.753 ( 0.757 1.441 3.479) 3.841 12.805 ( 1.218 1.602 -1.698) 2.633 13.366 ( 0.385 -1.228 -2.805) 3.086 13.414 ( -0.776 -1.154 -7.218) 7.351 16.299 ( -0.672 3.946 3.508) 5.323 16.347 ( -2.942 3.630 -1.057) 4.790 31.725 ( 2.890 1.930 1.053) 3.631 31.747 ( 1.426 1.683 -0.991) 2.418 35.051 ( 0.231 -1.292 1.003) 1.652 35.063 ( -0.925 -1.434 -0.121) 1.711 75.436 ( -2.351 3.005 2.752) 4.705 75.463 ( -2.672 2.845 0.267) 3.912 ======================= Grid point 720 (225/240) ======================= q-point: ( 0.00 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 0.000 0.848 10.347) 10.382 2.123 ( 0.000 3.468 5.977) 6.910 2.245 ( 0.000 0.692 -5.548) 5.591 2.316 ( 0.000 -6.906 -15.731) 17.180 4.935 ( 0.000 14.190 11.260) 18.115 5.075 ( 0.000 9.673 -1.948) 9.868 8.014 ( 0.000 1.469 8.690) 8.813 8.149 ( 0.000 -0.606 -4.389) 4.431 8.411 ( 0.000 0.472 5.438) 5.459 8.532 ( 0.000 -0.697 -5.933) 5.974 10.828 ( 0.000 -6.286 3.245) 7.074 10.976 ( 0.000 -8.667 -10.432) 13.562 11.843 ( 0.000 -0.674 4.091) 4.146 11.927 ( 0.000 -0.520 -3.854) 3.889 13.445 ( 0.000 -3.168 7.394) 8.044 13.635 ( 0.000 0.837 -10.038) 10.073 17.203 ( 0.000 -4.774 16.866) 17.529 17.557 ( 0.000 -4.386 -17.345) 17.891 30.563 ( 0.000 0.730 4.612) 4.669 30.662 ( 0.000 -0.069 -4.696) 4.697 35.206 ( 0.000 -0.636 2.714) 2.787 35.290 ( 0.000 -2.119 -5.056) 5.482 77.220 ( 0.000 17.801 13.017) 22.052 77.526 ( 0.000 9.719 -16.131) 18.832 ======================= Grid point 721 (226/240) ======================= q-point: ( 0.07 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 1.274 0.923 9.675) 9.802 2.301 ( 1.677 -5.361 -12.812) 13.990 2.346 ( 19.549 2.597 4.844) 20.307 2.475 ( 19.632 -0.468 -6.514) 20.689 4.909 ( -2.494 13.405 10.746) 17.361 5.039 ( -3.422 9.168 -1.587) 9.914 7.986 ( -2.595 1.498 8.620) 9.126 8.118 ( -2.862 0.039 -4.137) 5.031 8.537 ( 11.690 -0.040 5.547) 12.939 8.664 ( 12.253 -0.541 -6.383) 13.827 10.792 ( -3.138 -5.180 3.147) 6.825 10.938 ( -3.315 -7.466 -10.318) 13.160 11.852 ( 1.214 -1.921 4.943) 5.440 11.956 ( 3.035 -1.351 -4.840) 5.871 13.473 ( 2.388 -2.893 6.560) 7.556 13.645 ( 0.716 0.838 -9.118) 9.184 17.151 ( -5.051 -4.465 16.407) 17.738 17.494 ( -6.131 -4.115 -16.728) 18.285 30.621 ( 5.619 0.748 4.610) 7.307 30.719 ( 5.594 -0.146 -4.689) 7.301 35.196 ( -1.018 -0.597 2.709) 2.955 35.277 ( -1.219 -2.020 -4.877) 5.418 77.129 ( -9.003 17.178 12.193) 22.909 77.410 ( -11.309 9.788 -14.623) 20.917 ======================= Grid point 722 (227/240) ======================= q-point: ( 0.13 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 3.003 0.312 8.532) 9.050 2.321 ( 1.257 -6.191 -13.277) 14.703 2.849 ( 28.168 2.845 6.395) 29.024 2.979 ( 28.795 0.541 -5.832) 29.385 4.845 ( -3.548 10.709 9.176) 14.542 4.948 ( -5.415 7.472 -0.537) 9.244 7.916 ( -4.305 0.998 8.417) 9.507 8.042 ( -4.767 0.618 -3.637) 6.027 8.820 ( 15.130 -0.391 5.641) 16.152 8.958 ( 15.413 0.291 -7.345) 17.077 10.737 ( -1.348 -3.164 3.248) 4.730 10.881 ( -1.204 -5.233 -10.129) 11.464 11.907 ( 4.736 -3.727 6.606) 8.942 12.053 ( 6.750 -2.540 -6.974) 10.032 13.517 ( 1.584 -2.380 4.869) 5.646 13.651 ( -0.383 0.791 -7.153) 7.207 17.011 ( -8.682 -3.570 15.168) 17.838 17.324 ( -10.564 -3.374 -15.045) 18.690 30.779 ( 9.973 0.824 4.550) 10.993 30.876 ( 9.795 -0.277 -4.586) 10.819 35.167 ( -1.753 -0.508 2.685) 3.247 35.243 ( -2.120 -1.784 -4.387) 5.189 76.879 ( -15.561 15.368 10.093) 24.087 77.100 ( -19.057 9.648 -10.931) 23.995 ======================= Grid point 723 (228/240) ======================= q-point: ( 0.20 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 4.721 -0.634 6.977) 8.448 2.357 ( 2.415 -6.072 -11.154) 12.927 3.386 ( 23.863 4.639 8.106) 25.626 3.543 ( 25.997 2.510 -6.755) 26.978 4.789 ( -1.336 4.646 6.675) 8.242 4.849 ( -3.368 4.010 0.984) 5.329 7.816 ( -5.735 0.037 8.007) 9.849 7.931 ( -6.219 0.788 -3.095) 6.991 9.079 ( 9.830 -0.878 4.585) 10.882 9.207 ( 8.509 0.521 -7.608) 11.426 10.779 ( 6.069 -1.313 4.090) 7.435 10.931 ( 6.552 -2.672 -9.887) 12.158 12.047 ( 9.285 -4.120 7.760) 12.783 12.223 ( 10.168 -2.525 -8.674) 13.601 13.522 ( -1.173 -2.005 3.244) 3.990 13.622 ( -2.616 0.646 -5.451) 6.081 16.822 ( -9.977 -2.212 13.414) 16.863 17.091 ( -12.371 -2.288 -12.641) 17.835 31.004 ( 12.278 0.981 4.316) 13.051 31.094 ( 11.823 -0.278 -4.238) 12.562 35.129 ( -2.042 -0.442 2.603) 3.338 35.196 ( -2.548 -1.540 -3.678) 4.732 76.534 ( -18.414 12.600 7.532) 23.549 76.686 ( -21.807 8.740 -6.750) 24.444 ======================= Grid point 724 (229/240) ======================= q-point: ( 0.27 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 6.132 -1.621 5.262) 8.241 2.416 ( 3.550 -5.649 -8.405) 10.731 3.723 ( 8.748 8.860 10.580) 16.339 3.919 ( 9.439 7.299 -7.918) 14.321 4.832 ( 7.375 -4.924 5.733) 10.559 4.888 ( 8.216 -2.406 0.336) 8.568 7.694 ( -6.277 -0.910 7.427) 9.766 7.801 ( -6.715 0.472 -2.734) 7.265 9.203 ( 3.098 -2.176 2.264) 4.411 9.296 ( 1.257 -0.814 -6.644) 6.811 10.962 ( 11.375 0.713 5.451) 12.633 11.121 ( 11.371 0.399 -9.069) 14.550 12.270 ( 12.690 -3.076 7.403) 15.010 12.443 ( 11.422 -1.260 -8.673) 14.397 13.474 ( -3.400 -1.799 1.810) 4.251 13.552 ( -4.174 0.352 -4.790) 6.363 16.631 ( -8.837 -0.629 11.288) 14.350 16.849 ( -11.614 -0.951 -9.785) 15.216 31.252 ( 12.355 1.201 3.826) 12.989 31.331 ( 11.593 -0.057 -3.579) 12.134 35.089 ( -1.884 -0.462 2.407) 3.091 35.145 ( -2.522 -1.370 -2.829) 4.029 76.170 ( -17.683 9.345 5.247) 20.677 76.262 ( -20.225 6.987 -3.348) 21.658 ======================= Grid point 725 (230/240) ======================= q-point: ( 0.33 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 6.853 -2.402 3.549) 8.083 2.495 ( 4.208 -4.751 -5.294) 8.265 3.754 ( -3.855 9.842 10.298) 14.757 3.925 ( -6.348 8.354 -5.562) 11.875 5.082 ( 15.338 -9.034 4.061) 18.258 5.130 ( 14.179 -7.665 -0.371) 16.123 7.576 ( -5.415 -1.654 6.597) 8.693 7.672 ( -6.032 -0.471 -2.489) 6.542 9.228 ( 0.044 -3.386 0.501) 3.424 9.293 ( -0.923 -2.624 -5.604) 6.257 11.195 ( 11.308 2.660 6.160) 13.149 11.340 ( 9.938 2.664 -6.965) 12.424 12.525 ( 12.165 -1.221 5.206) 13.288 12.651 ( 8.916 0.616 -6.260) 10.912 13.401 ( -3.516 -1.599 0.352) 3.879 13.469 ( -3.751 -0.158 -5.450) 6.618 16.481 ( -6.029 0.905 8.800) 10.705 16.641 ( -9.082 0.499 -6.650) 11.268 31.482 ( 10.471 1.415 3.073) 11.004 31.543 ( 9.459 0.344 -2.654) 9.830 35.056 ( -1.390 -0.583 2.050) 2.545 35.098 ( -2.145 -1.277 -1.895) 3.134 75.849 ( -14.265 6.214 3.618) 15.975 75.900 ( -15.802 4.848 -1.148) 16.569 ======================= Grid point 726 (231/240) ======================= q-point: ( 0.40 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 6.177 -2.862 2.004) 7.097 2.578 ( 3.954 -3.364 -2.198) 5.637 3.638 ( -6.404 7.530 8.009) 12.722 3.755 ( -9.236 6.215 -2.770) 11.472 5.361 ( 11.656 -9.579 2.571) 15.304 5.388 ( 10.699 -9.249 0.221) 14.145 7.486 ( -3.431 -2.164 5.484) 6.820 7.568 ( -4.256 -1.794 -2.097) 5.072 9.221 ( -0.522 -3.893 -0.114) 3.929 9.274 ( -0.795 -4.041 -5.045) 6.512 11.394 ( 8.421 4.140 5.555) 10.905 11.500 ( 5.967 3.780 -3.891) 8.065 12.721 ( 6.803 0.807 2.864) 7.425 12.784 ( 4.484 1.936 -2.895) 5.678 13.350 ( -1.369 -1.230 -1.178) 2.185 13.414 ( -1.750 -0.770 -6.880) 7.141 16.394 ( -2.773 2.156 6.036) 6.984 16.492 ( -5.874 1.778 -3.447) 7.039 31.659 ( 7.121 1.538 2.107) 7.584 31.698 ( 5.956 0.804 -1.558) 6.209 35.035 ( -0.704 -0.772 1.520) 1.844 35.061 ( -1.543 -1.212 -0.935) 2.174 75.614 ( -9.152 3.778 2.686) 10.259 75.643 ( -9.886 2.974 -0.000) 10.323 ======================= Grid point 727 (232/240) ======================= q-point: ( 0.47 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 2.401 -2.640 1.365) 3.821 2.643 ( 2.211 -2.452 -0.374) 3.322 3.541 ( -2.584 5.450 5.373) 8.078 3.604 ( -4.765 4.560 -0.417) 6.608 5.522 ( 4.218 -9.669 1.837) 10.708 5.534 ( 3.727 -9.661 0.823) 10.387 7.441 ( -1.109 -2.341 4.521) 5.211 7.509 ( -1.572 -2.872 -1.632) 3.659 9.213 ( -0.221 -4.020 -0.191) 4.031 9.263 ( -0.271 -4.719 -4.816) 6.748 11.518 ( 3.670 5.186 3.952) 7.482 11.573 ( 1.455 3.949 -0.843) 4.292 12.793 ( 1.204 2.453 2.754) 3.880 12.842 ( 1.445 1.922 -2.087) 3.184 13.346 ( 0.509 -0.773 -2.917) 3.061 13.392 ( -0.657 -1.129 -7.060) 7.180 16.367 ( -0.101 2.958 3.303) 4.435 16.407 ( -2.617 2.463 -0.506) 3.629 31.759 ( 2.789 1.518 1.057) 3.347 31.775 ( 1.754 1.176 -0.440) 2.157 35.028 ( 0.051 -0.966 0.829) 1.274 35.037 ( -0.817 -1.122 -0.016) 1.388 75.490 ( -3.140 2.444 2.290) 4.591 75.510 ( -3.350 1.905 0.450) 3.880 ======================= Grid point 735 (233/240) ======================= q-point: ( 0.00 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 0.000 4.281 0.384) 4.298 2.173 ( 0.000 1.504 3.652) 3.950 2.189 ( 0.000 -6.035 -9.104) 10.923 2.251 ( 0.000 0.033 -3.698) 3.698 5.141 ( 0.000 6.528 7.284) 9.782 5.193 ( 0.000 2.283 2.273) 3.222 8.046 ( 0.000 1.314 7.729) 7.840 8.142 ( 0.000 -0.223 -1.825) 1.839 8.418 ( 0.000 0.209 4.484) 4.488 8.522 ( 0.000 -0.286 -5.293) 5.301 10.743 ( 0.000 -2.026 -1.075) 2.293 10.835 ( 0.000 -4.706 -9.759) 10.834 11.833 ( 0.000 -0.242 4.254) 4.261 11.920 ( 0.000 -0.209 -3.859) 3.865 13.405 ( 0.000 -0.976 10.486) 10.531 13.651 ( 0.000 0.485 -12.081) 12.091 17.139 ( 0.000 -1.679 16.928) 17.011 17.496 ( 0.000 -1.683 -17.541) 17.622 30.574 ( 0.000 0.294 4.061) 4.072 30.661 ( 0.000 -0.048 -4.147) 4.147 35.197 ( 0.000 -0.248 1.661) 1.679 35.260 ( 0.000 -0.813 -4.262) 4.339 77.493 ( 0.000 9.459 5.061) 10.728 77.621 ( 0.000 0.269 -7.213) 7.218 ======================= Grid point 736 (234/240) ======================= q-point: ( 0.07 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 0.875 4.031 0.397) 4.144 2.190 ( 0.512 -5.575 -8.409) 10.102 2.388 ( 19.910 1.285 3.675) 20.287 2.470 ( 20.315 -0.159 -3.980) 20.702 5.103 ( -3.763 6.056 7.104) 10.065 5.153 ( -3.957 2.284 2.288) 5.110 8.015 ( -2.958 1.139 7.906) 8.518 8.116 ( -2.532 -0.195 -2.048) 3.263 8.540 ( 11.457 0.200 5.141) 12.560 8.658 ( 12.771 -0.106 -5.996) 14.109 10.724 ( -1.699 -1.590 -1.018) 2.540 10.816 ( -1.660 -4.100 -9.725) 10.684 11.825 ( -0.282 -0.750 5.401) 5.461 11.936 ( 2.006 -0.546 -5.127) 5.533 13.437 ( 2.699 -0.879 9.455) 9.872 13.660 ( 0.712 0.488 -11.035) 11.069 17.092 ( -4.647 -1.576 16.457) 17.173 17.437 ( -5.775 -1.588 -16.904) 17.934 30.631 ( 5.655 0.305 4.015) 6.942 30.717 ( 5.507 -0.073 -4.058) 6.841 35.187 ( -0.962 -0.230 1.686) 1.955 35.249 ( -1.097 -0.780 -4.113) 4.328 77.391 ( -10.048 9.034 4.824) 14.347 77.508 ( -11.015 0.514 -6.473) 12.787 ======================= Grid point 737 (235/240) ======================= q-point: ( 0.13 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 2.156 3.349 0.368) 4.000 2.209 ( 1.530 -5.154 -7.634) 9.337 2.889 ( 28.388 1.105 4.622) 28.783 2.984 ( 29.422 0.060 -4.380) 29.747 4.997 ( -6.642 4.474 6.734) 10.464 5.044 ( -6.624 2.299 2.157) 7.337 7.934 ( -5.111 0.628 8.339) 9.801 8.045 ( -4.530 -0.070 -2.542) 5.195 8.820 ( 14.984 0.158 6.263) 16.241 8.966 ( 16.077 0.328 -7.524) 17.754 10.699 ( 0.168 -0.661 -0.615) 0.919 10.795 ( 0.644 -2.939 -9.566) 10.028 11.853 ( 3.793 -1.550 7.460) 8.511 12.015 ( 6.147 -1.110 -7.683) 9.902 13.488 ( 1.875 -0.713 7.376) 7.644 13.666 ( -0.442 0.477 -8.828) 8.852 16.964 ( -7.913 -1.270 15.158) 17.146 17.277 ( -9.931 -1.324 -15.128) 18.145 30.790 ( 10.064 0.345 3.857) 10.783 30.872 ( 9.731 -0.120 -3.773) 10.438 35.160 ( -1.680 -0.188 1.738) 2.425 35.218 ( -1.950 -0.701 -3.690) 4.232 77.111 ( -17.481 7.868 4.199) 19.625 77.203 ( -18.970 1.033 -4.638) 19.556 ======================= Grid point 738 (236/240) ======================= q-point: ( 0.20 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 3.644 2.315 0.423) 4.338 2.253 ( 2.912 -4.459 -6.360) 8.295 3.447 ( 26.101 1.612 6.482) 26.942 3.573 ( 28.226 0.699 -5.452) 28.757 4.850 ( -7.533 1.608 6.907) 10.346 4.910 ( -6.136 1.818 1.140) 6.500 7.817 ( -6.537 0.054 8.735) 10.910 7.938 ( -6.118 0.086 -3.043) 6.833 9.071 ( 9.067 -0.096 5.792) 10.760 9.219 ( 8.034 0.421 -8.276) 11.542 10.768 ( 7.263 0.006 1.107) 7.347 10.885 ( 8.908 -1.570 -9.683) 13.251 11.987 ( 9.593 -1.742 8.865) 13.178 12.184 ( 10.651 -1.185 -9.615) 14.398 13.497 ( -1.022 -0.606 5.368) 5.498 13.634 ( -2.771 0.422 -6.918) 7.464 16.792 ( -8.955 -0.794 13.290) 16.045 17.059 ( -11.533 -0.930 -12.537) 17.060 31.018 ( 12.422 0.417 3.547) 12.925 31.090 ( 11.887 -0.127 -3.267) 12.328 35.123 ( -2.008 -0.149 1.759) 2.674 35.174 ( -2.407 -0.620 -3.053) 3.937 76.722 ( -20.863 6.237 3.397) 22.039 76.784 ( -22.323 1.412 -2.529) 22.510 ======================= Grid point 739 (237/240) ======================= q-point: ( 0.27 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 5.034 1.055 0.679) 5.188 2.326 ( 4.371 -3.480 -4.830) 7.385 3.850 ( 12.165 3.631 9.283) 15.727 4.020 ( 13.334 2.776 -6.788) 15.218 4.757 ( 1.096 -2.250 7.833) 8.224 4.853 ( 2.170 -1.022 -1.325) 2.740 7.682 ( -6.809 -0.329 8.722) 11.070 7.807 ( -6.981 0.143 -3.236) 7.696 9.174 ( 1.942 -0.744 3.324) 3.921 9.288 ( -0.063 -0.149 -7.566) 7.567 10.976 ( 12.613 0.495 3.857) 13.199 11.121 ( 13.427 -0.122 -9.446) 16.417 12.225 ( 13.899 -1.260 8.605) 16.395 12.422 ( 12.702 -0.663 -9.744) 16.023 13.451 ( -3.342 -0.569 3.561) 4.916 13.560 ( -4.454 0.299 -6.036) 7.508 16.622 ( -7.751 -0.226 11.072) 13.517 16.835 ( -10.629 -0.436 -9.492) 14.257 31.270 ( 12.515 0.507 3.072) 12.896 31.330 ( 11.807 -0.059 -2.567) 12.083 35.083 ( -1.925 -0.143 1.689) 2.565 35.125 ( -2.435 -0.561 -2.278) 3.381 76.308 ( -20.201 4.481 2.642) 20.860 76.344 ( -21.289 1.420 -0.813) 21.352 ======================= Grid point 740 (238/240) ======================= q-point: ( 0.33 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 5.934 -0.210 1.191) 6.056 2.424 ( 5.407 -2.267 -3.246) 6.701 3.905 ( -4.737 4.767 9.389) 11.546 4.044 ( -7.764 3.355 -3.202) 9.044 4.946 ( 14.782 -4.048 4.318) 15.923 5.013 ( 12.153 -3.632 -1.632) 12.789 7.555 ( -5.681 -0.482 7.905) 9.746 7.668 ( -6.783 -0.059 -2.779) 7.330 9.181 ( -0.568 -1.302 0.945) 1.706 9.257 ( -2.261 -0.958 -6.312) 6.773 11.231 ( 12.346 1.012 5.330) 13.486 11.371 ( 11.007 0.724 -7.237) 13.193 12.509 ( 13.652 -0.431 6.269) 15.029 12.659 ( 10.390 0.199 -7.503) 12.818 13.379 ( -3.455 -0.591 1.674) 3.885 13.470 ( -4.176 0.111 -6.341) 7.593 16.493 ( -5.059 0.329 8.577) 9.963 16.647 ( -8.090 0.112 -6.288) 10.247 31.502 ( 10.589 0.584 2.453) 10.885 31.547 ( 9.765 0.078 -1.739) 9.919 35.049 ( -1.503 -0.182 1.492) 2.126 35.080 ( -2.090 -0.523 -1.447) 2.596 75.939 ( -16.399 2.912 2.081) 16.785 75.959 ( -17.032 1.112 0.264) 17.071 ======================= Grid point 741 (239/240) ======================= q-point: ( 0.40 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 5.781 -0.983 1.760) 6.122 2.532 ( 5.104 -1.244 -1.655) 5.508 3.756 ( -8.393 3.751 7.315) 11.748 3.841 ( -10.804 2.264 -0.385) 11.045 5.224 ( 11.690 -3.883 1.979) 12.476 5.251 ( 10.339 -4.080 -0.372) 11.121 7.464 ( -3.354 -0.392 6.172) 7.036 7.545 ( -5.320 -0.592 -1.500) 5.559 9.168 ( -0.499 -1.376 -0.630) 1.594 9.215 ( -1.807 -1.749 -4.990) 5.588 11.448 ( 9.109 1.387 4.920) 10.445 11.546 ( 6.380 1.088 -3.733) 7.471 12.734 ( 8.366 0.428 3.430) 9.051 12.813 ( 4.932 0.901 -3.704) 6.233 13.331 ( -1.027 -0.549 -0.673) 1.345 13.406 ( -2.251 -0.171 -7.232) 7.576 16.423 ( -2.057 0.785 5.841) 6.242 16.515 ( -5.132 0.603 -3.120) 6.036 31.681 ( 7.147 0.619 1.724) 7.378 31.708 ( 6.262 0.247 -0.859) 6.325 35.025 ( -0.853 -0.258 1.159) 1.462 35.044 ( -1.481 -0.486 -0.639) 1.685 75.669 ( -10.563 1.764 1.760) 10.853 75.679 ( -10.838 0.705 0.781) 10.889 ======================= Grid point 742 (240/240) ======================= q-point: ( 0.47 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 743 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 3.176 -0.855 1.699) 3.703 2.608 ( 1.929 -1.019 0.069) 2.183 3.629 ( -3.284 2.945 4.883) 6.580 3.666 ( -5.630 1.480 1.546) 6.023 5.385 ( 4.256 -3.793 1.145) 5.815 5.394 ( 3.651 -4.107 0.432) 5.512 7.425 ( -0.635 0.251 4.019) 4.077 7.465 ( -2.468 -1.579 0.320) 2.948 9.164 ( -0.032 -0.914 -1.600) 1.843 9.189 ( -0.733 -2.566 -3.921) 4.743 11.584 ( 4.352 1.654 3.070) 5.577 11.621 ( 1.116 1.138 -0.144) 1.601 12.837 ( 2.289 1.659 1.754) 3.327 12.866 ( 0.914 0.414 -1.009) 1.423 13.338 ( 1.231 -0.094 -3.605) 3.811 13.373 ( -1.291 -0.648 -6.686) 6.840 16.408 ( 0.396 1.110 2.984) 3.209 16.440 ( -2.565 0.842 -0.091) 2.701 31.781 ( 2.763 0.614 0.933) 2.980 31.790 ( 1.905 0.375 0.011) 1.941 35.015 ( -0.083 -0.347 0.690) 0.777 35.022 ( -0.722 -0.432 0.083) 0.846 75.526 ( -3.633 1.169 1.630) 4.150 75.534 ( -3.704 0.427 0.957) 3.849 =================== 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 3/35640 10.0 6187.660 7793.874 7646.786 0.000 0.000 0.000 3/35640 20.0 1558.848 1314.007 1237.952 0.000 0.000 0.000 3/35640 30.0 778.126 541.711 550.356 0.000 0.000 0.000 3/35640 40.0 501.553 308.058 325.757 0.000 0.000 0.000 3/35640 50.0 357.343 204.144 220.420 0.000 0.000 0.000 3/35640 60.0 266.326 146.645 160.031 0.000 0.000 0.000 3/35640 70.0 204.387 110.563 121.417 0.000 0.000 0.000 3/35640 80.0 160.855 86.246 95.173 0.000 0.000 0.000 3/35640 90.0 129.610 69.136 76.638 0.000 0.000 0.000 3/35640 100.0 106.741 56.729 63.168 0.000 0.000 0.000 3/35640 110.0 89.670 47.511 53.140 0.000 0.000 0.000 3/35640 120.0 76.674 40.513 45.512 0.000 0.000 0.000 3/35640 130.0 66.590 35.095 39.591 0.000 0.000 0.000 3/35640 140.0 58.624 30.823 34.912 0.000 0.000 0.000 3/35640 150.0 52.225 27.398 31.150 0.000 0.000 0.000 3/35640 160.0 47.006 24.610 28.079 0.000 0.000 0.000 3/35640 170.0 42.688 22.307 25.537 0.000 0.000 0.000 3/35640 180.0 39.071 20.382 23.405 0.000 0.000 0.000 3/35640 190.0 36.006 18.753 21.596 0.000 0.000 0.000 3/35640 200.0 33.381 17.360 20.046 0.000 0.000 0.000 3/35640 210.0 31.111 16.157 18.704 0.000 0.000 0.000 3/35640 220.0 29.132 15.110 17.533 0.000 0.000 0.000 3/35640 230.0 27.393 14.191 16.503 0.000 0.000 0.000 3/35640 240.0 25.854 13.378 15.589 0.000 0.000 0.000 3/35640 250.0 24.482 12.655 14.775 0.000 0.000 0.000 3/35640 260.0 23.253 12.007 14.044 0.000 0.000 0.000 3/35640 270.0 22.146 11.424 13.384 0.000 0.000 0.000 3/35640 280.0 21.143 10.896 12.787 0.000 0.000 0.000 3/35640 290.0 20.231 10.417 12.242 0.000 0.000 0.000 3/35640 300.0 19.397 9.979 11.744 0.000 0.000 0.000 3/35640 310.0 18.633 9.577 11.286 0.000 0.000 0.000 3/35640 320.0 17.930 9.208 10.865 0.000 0.000 0.000 3/35640 330.0 17.280 8.867 10.475 0.000 0.000 0.000 3/35640 340.0 16.678 8.551 10.113 0.000 0.000 0.000 3/35640 350.0 16.118 8.258 9.777 0.000 0.000 0.000 3/35640 360.0 15.597 7.985 9.463 0.000 0.000 0.000 3/35640 370.0 15.110 7.730 9.170 0.000 0.000 0.000 3/35640 380.0 14.655 7.491 8.895 0.000 0.000 0.000 3/35640 390.0 14.227 7.267 8.636 0.000 0.000 0.000 3/35640 400.0 13.825 7.057 8.393 0.000 0.000 0.000 3/35640 410.0 13.446 6.859 8.164 0.000 0.000 0.000 3/35640 420.0 13.088 6.671 7.948 0.000 0.000 0.000 3/35640 430.0 12.750 6.495 7.743 0.000 0.000 0.000 3/35640 440.0 12.430 6.327 7.548 0.000 0.000 0.000 3/35640 450.0 12.126 6.168 7.364 0.000 0.000 0.000 3/35640 460.0 11.837 6.017 7.189 0.000 0.000 0.000 3/35640 470.0 11.563 5.874 7.022 0.000 0.000 0.000 3/35640 480.0 11.301 5.737 6.863 0.000 0.000 0.000 3/35640 490.0 11.052 5.607 6.711 0.000 0.000 0.000 3/35640 500.0 10.813 5.483 6.566 0.000 0.000 0.000 3/35640 510.0 10.585 5.364 6.427 0.000 0.000 0.000 3/35640 520.0 10.367 5.250 6.295 0.000 0.000 0.000 3/35640 530.0 10.158 5.141 6.167 0.000 0.000 0.000 3/35640 540.0 9.958 5.036 6.045 0.000 0.000 0.000 3/35640 550.0 9.766 4.936 5.928 0.000 0.000 0.000 3/35640 560.0 9.581 4.840 5.815 0.000 0.000 0.000 3/35640 570.0 9.403 4.747 5.707 0.000 0.000 0.000 3/35640 580.0 9.232 4.658 5.602 0.000 0.000 0.000 3/35640 590.0 9.068 4.572 5.502 0.000 0.000 0.000 3/35640 600.0 8.909 4.490 5.405 0.000 0.000 0.000 3/35640 610.0 8.756 4.410 5.311 0.000 0.000 0.000 3/35640 620.0 8.608 4.333 5.221 0.000 0.000 0.000 3/35640 630.0 8.466 4.259 5.134 0.000 0.000 0.000 3/35640 640.0 8.328 4.187 5.050 0.000 0.000 0.000 3/35640 650.0 8.194 4.118 4.968 0.000 0.000 0.000 3/35640 660.0 8.065 4.051 4.889 0.000 0.000 0.000 3/35640 670.0 7.940 3.986 4.813 0.000 0.000 0.000 3/35640 680.0 7.819 3.923 4.739 0.000 0.000 0.000 3/35640 690.0 7.702 3.862 4.667 0.000 0.000 0.000 3/35640 700.0 7.588 3.803 4.597 0.000 0.000 0.000 3/35640 710.0 7.478 3.745 4.530 0.000 0.000 0.000 3/35640 720.0 7.370 3.690 4.464 0.000 0.000 0.000 3/35640 730.0 7.266 3.636 4.400 0.000 0.000 0.000 3/35640 740.0 7.165 3.583 4.339 0.000 0.000 0.000 3/35640 750.0 7.067 3.532 4.278 0.000 0.000 0.000 3/35640 760.0 6.971 3.483 4.220 0.000 0.000 0.000 3/35640 770.0 6.878 3.435 4.163 0.000 0.000 0.000 3/35640 780.0 6.788 3.388 4.108 0.000 0.000 0.000 3/35640 790.0 6.700 3.342 4.054 0.000 0.000 0.000 3/35640 800.0 6.614 3.298 4.001 0.000 0.000 0.000 3/35640 810.0 6.531 3.255 3.950 0.000 0.000 0.000 3/35640 820.0 6.449 3.213 3.900 0.000 0.000 0.000 3/35640 830.0 6.370 3.172 3.852 0.000 0.000 0.000 3/35640 840.0 6.292 3.132 3.804 0.000 0.000 0.000 3/35640 850.0 6.217 3.093 3.758 0.000 0.000 0.000 3/35640 860.0 6.143 3.055 3.713 0.000 0.000 0.000 3/35640 870.0 6.071 3.018 3.669 0.000 0.000 0.000 3/35640 880.0 6.001 2.981 3.626 0.000 0.000 0.000 3/35640 890.0 5.932 2.946 3.584 0.000 0.000 0.000 3/35640 900.0 5.865 2.911 3.543 0.000 0.000 0.000 3/35640 910.0 5.799 2.878 3.503 0.000 0.000 0.000 3/35640 920.0 5.735 2.845 3.464 0.000 0.000 0.000 3/35640 930.0 5.673 2.813 3.425 0.000 0.000 0.000 3/35640 940.0 5.611 2.781 3.388 0.000 0.000 0.000 3/35640 950.0 5.552 2.750 3.351 0.000 0.000 0.000 3/35640 960.0 5.493 2.720 3.315 0.000 0.000 0.000 3/35640 970.0 5.435 2.691 3.280 0.000 0.000 0.000 3/35640 980.0 5.379 2.662 3.246 0.000 0.000 0.000 3/35640 990.0 5.324 2.634 3.212 0.000 0.000 0.000 3/35640 1000.0 5.270 2.606 3.179 0.000 0.000 0.000 3/35640 Thermal conductivity related properties were written into "kappa-m15119.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:17:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|