----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:24:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.535129481488338 1.463657688567846 4.615330646666661 b -2.535129481488334 1.463657688567846 4.615330646666661 c 0.000000000000003 -2.927315377135697 4.615330646666661 Atomic positions (fractional): *1 O 0.22578273355579 0.94977438224140 0.56214497239387 15.999 2 O 0.56214497239387 0.22578273355579 0.94977438224140 15.999 3 O 0.94977438224140 0.56214497239387 0.22578273355579 15.999 4 O 0.77421726644421 0.05022561775860 0.43785502760613 15.999 5 O 0.05022561775860 0.43785502760613 0.77421726644421 15.999 6 O 0.43785502760613 0.77421726644421 0.05022561775861 15.999 *7 Ti 0.85405817513302 0.85405817513302 0.85405817513302 47.867 8 Ti 0.14594182486697 0.14594182486698 0.14594182486697 47.867 *9 Zn 0.63966959804434 0.63966959804435 0.63966959804434 65.380 10 Zn 0.36033040195565 0.36033040195566 0.36033040195565 65.380 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.070258962976673 0.000000000000000 0.000000000000000 b -2.535129481488337 4.390973065703543 0.000000000000000 c 0.000000000000000 0.000000000000000 13.845991939999998 Atomic positions (fractional): *1 O 0.97988203749211 0.68375572366982 0.24590069606368 15.999 > 1 2 O 0.31624427633018 0.29612631382229 0.24590069606368 15.999 > 2 3 O 0.70387368617771 0.02011796250790 0.24590069606368 15.999 > 3 4 O 0.68678462917456 0.64957760966352 0.08743263726965 15.999 > 4 5 O 0.96279298048896 0.31321537082544 0.08743263726965 15.999 > 5 6 O 0.35042239033648 0.03720701951104 0.08743263726965 15.999 > 6 7 O 0.64654870415877 0.01708905700315 0.57923402939702 15.999 > 1 8 O 0.98291094299685 0.62945964715562 0.57923402939702 15.999 > 2 9 O 0.37054035284438 0.35345129584123 0.57923402939702 15.999 > 3 10 O 0.35345129584123 0.98291094299685 0.42076597060298 15.999 > 4 11 O 0.62945964715562 0.64654870415877 0.42076597060298 15.999 > 5 12 O 0.01708905700315 0.37054035284438 0.42076597060298 15.999 > 6 13 O 0.31321537082544 0.35042239033648 0.91256736273035 15.999 > 1 14 O 0.64957760966352 0.96279298048896 0.91256736273035 15.999 > 2 15 O 0.03720701951104 0.68678462917456 0.91256736273035 15.999 > 3 16 O 0.02011796250790 0.31624427633018 0.75409930393632 15.999 > 4 17 O 0.29612631382229 0.97988203749211 0.75409930393632 15.999 > 5 18 O 0.68375572366982 0.70387368617771 0.75409930393632 15.999 > 6 *19 Ti 0.66666666666667 0.33333333333333 0.18739150846636 47.867 > 7 20 Ti 0.00000000000000 0.00000000000000 0.14594182486697 47.867 > 8 21 Ti 0.33333333333333 0.66666666666667 0.52072484179969 47.867 > 7 22 Ti 0.66666666666667 0.33333333333333 0.47927515820031 47.867 > 8 23 Ti 0.00000000000000 0.00000000000000 0.85405817513302 47.867 > 7 24 Ti 0.33333333333333 0.66666666666667 0.81260849153364 47.867 > 8 *25 Zn 0.33333333333333 0.66666666666667 0.30633626471101 65.380 > 9 26 Zn 0.33333333333333 0.66666666666667 0.02699706862232 65.380 > 10 27 Zn 0.00000000000000 0.00000000000000 0.63966959804435 65.380 > 9 28 Zn 0.00000000000000 0.00000000000000 0.36033040195565 65.380 > 10 29 Zn 0.66666666666667 0.33333333333333 0.97300293137768 65.380 > 9 30 Zn 0.66666666666667 0.33333333333333 0.69366373528899 65.380 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.140517925953345 0.000000000000000 0.000000000000000 b -5.070258962976674 8.781946131407086 0.000000000000000 c 0.000000000000000 0.000000000000000 13.845991939999998 Atomic positions (fractional): *1 O 0.48994101874605 0.34187786183491 0.24590069606368 15.999 > 1 2 O 0.98994101874605 0.34187786183491 0.24590069606368 15.999 > 1 3 O 0.48994101874605 0.84187786183491 0.24590069606368 15.999 > 1 4 O 0.98994101874605 0.84187786183491 0.24590069606368 15.999 > 1 5 O 0.15812213816509 0.14806315691114 0.24590069606368 15.999 > 2 6 O 0.65812213816509 0.14806315691114 0.24590069606368 15.999 > 2 7 O 0.15812213816509 0.64806315691114 0.24590069606368 15.999 > 2 8 O 0.65812213816509 0.64806315691114 0.24590069606368 15.999 > 2 9 O 0.35193684308886 0.01005898125395 0.24590069606368 15.999 > 3 10 O 0.85193684308886 0.01005898125395 0.24590069606368 15.999 > 3 11 O 0.35193684308886 0.51005898125395 0.24590069606368 15.999 > 3 12 O 0.85193684308886 0.51005898125395 0.24590069606368 15.999 > 3 13 O 0.34339231458728 0.32478880483176 0.08743263726965 15.999 > 4 14 O 0.84339231458728 0.32478880483176 0.08743263726965 15.999 > 4 15 O 0.34339231458728 0.82478880483176 0.08743263726965 15.999 > 4 16 O 0.84339231458728 0.82478880483176 0.08743263726965 15.999 > 4 17 O 0.48139649024448 0.15660768541272 0.08743263726965 15.999 > 5 18 O 0.98139649024448 0.15660768541272 0.08743263726965 15.999 > 5 19 O 0.48139649024448 0.65660768541272 0.08743263726965 15.999 > 5 20 O 0.98139649024448 0.65660768541272 0.08743263726965 15.999 > 5 21 O 0.17521119516824 0.01860350975552 0.08743263726965 15.999 > 6 22 O 0.67521119516824 0.01860350975552 0.08743263726965 15.999 > 6 23 O 0.17521119516824 0.51860350975552 0.08743263726965 15.999 > 6 24 O 0.67521119516824 0.51860350975552 0.08743263726965 15.999 > 6 25 O 0.32327435207939 0.00854452850158 0.57923402939702 15.999 > 1 26 O 0.82327435207939 0.00854452850158 0.57923402939702 15.999 > 1 27 O 0.32327435207939 0.50854452850158 0.57923402939702 15.999 > 1 28 O 0.82327435207939 0.50854452850158 0.57923402939702 15.999 > 1 29 O 0.49145547149842 0.31472982357781 0.57923402939702 15.999 > 2 30 O 0.99145547149842 0.31472982357781 0.57923402939702 15.999 > 2 31 O 0.49145547149842 0.81472982357781 0.57923402939702 15.999 > 2 32 O 0.99145547149842 0.81472982357781 0.57923402939702 15.999 > 2 33 O 0.18527017642219 0.17672564792061 0.57923402939702 15.999 > 3 34 O 0.68527017642219 0.17672564792061 0.57923402939702 15.999 > 3 35 O 0.18527017642219 0.67672564792061 0.57923402939702 15.999 > 3 36 O 0.68527017642219 0.67672564792061 0.57923402939702 15.999 > 3 37 O 0.17672564792061 0.49145547149842 0.42076597060298 15.999 > 4 38 O 0.67672564792061 0.49145547149842 0.42076597060298 15.999 > 4 39 O 0.17672564792061 0.99145547149842 0.42076597060298 15.999 > 4 40 O 0.67672564792061 0.99145547149842 0.42076597060298 15.999 > 4 41 O 0.31472982357781 0.32327435207939 0.42076597060298 15.999 > 5 42 O 0.81472982357781 0.32327435207939 0.42076597060298 15.999 > 5 43 O 0.31472982357781 0.82327435207939 0.42076597060298 15.999 > 5 44 O 0.81472982357781 0.82327435207939 0.42076597060298 15.999 > 5 45 O 0.00854452850158 0.18527017642219 0.42076597060298 15.999 > 6 46 O 0.50854452850158 0.18527017642219 0.42076597060298 15.999 > 6 47 O 0.00854452850158 0.68527017642219 0.42076597060298 15.999 > 6 48 O 0.50854452850158 0.68527017642219 0.42076597060298 15.999 > 6 49 O 0.15660768541272 0.17521119516824 0.91256736273035 15.999 > 1 50 O 0.65660768541272 0.17521119516824 0.91256736273035 15.999 > 1 51 O 0.15660768541272 0.67521119516824 0.91256736273035 15.999 > 1 52 O 0.65660768541272 0.67521119516824 0.91256736273035 15.999 > 1 53 O 0.32478880483176 0.48139649024448 0.91256736273035 15.999 > 2 54 O 0.82478880483176 0.48139649024448 0.91256736273035 15.999 > 2 55 O 0.32478880483176 0.98139649024448 0.91256736273035 15.999 > 2 56 O 0.82478880483176 0.98139649024448 0.91256736273035 15.999 > 2 57 O 0.01860350975552 0.34339231458728 0.91256736273035 15.999 > 3 58 O 0.51860350975552 0.34339231458728 0.91256736273035 15.999 > 3 59 O 0.01860350975552 0.84339231458728 0.91256736273035 15.999 > 3 60 O 0.51860350975552 0.84339231458728 0.91256736273035 15.999 > 3 61 O 0.01005898125395 0.15812213816509 0.75409930393632 15.999 > 4 62 O 0.51005898125395 0.15812213816509 0.75409930393632 15.999 > 4 63 O 0.01005898125395 0.65812213816509 0.75409930393632 15.999 > 4 64 O 0.51005898125395 0.65812213816509 0.75409930393632 15.999 > 4 65 O 0.14806315691114 0.48994101874605 0.75409930393632 15.999 > 5 66 O 0.64806315691114 0.48994101874605 0.75409930393632 15.999 > 5 67 O 0.14806315691114 0.98994101874605 0.75409930393632 15.999 > 5 68 O 0.64806315691114 0.98994101874605 0.75409930393632 15.999 > 5 69 O 0.34187786183491 0.35193684308886 0.75409930393632 15.999 > 6 70 O 0.84187786183491 0.35193684308886 0.75409930393632 15.999 > 6 71 O 0.34187786183491 0.85193684308886 0.75409930393632 15.999 > 6 72 O 0.84187786183491 0.85193684308886 0.75409930393632 15.999 > 6 *73 Ti 0.33333333333333 0.16666666666667 0.18739150846636 47.867 > 7 74 Ti 0.83333333333333 0.16666666666667 0.18739150846636 47.867 > 7 75 Ti 0.33333333333333 0.66666666666667 0.18739150846636 47.867 > 7 76 Ti 0.83333333333333 0.66666666666667 0.18739150846636 47.867 > 7 77 Ti 0.00000000000000 0.00000000000000 0.14594182486697 47.867 > 8 78 Ti 0.50000000000000 0.00000000000000 0.14594182486697 47.867 > 8 79 Ti 0.00000000000000 0.50000000000000 0.14594182486697 47.867 > 8 80 Ti 0.50000000000000 0.50000000000000 0.14594182486697 47.867 > 8 81 Ti 0.16666666666667 0.33333333333333 0.52072484179969 47.867 > 7 82 Ti 0.66666666666667 0.33333333333333 0.52072484179969 47.867 > 7 83 Ti 0.16666666666667 0.83333333333333 0.52072484179969 47.867 > 7 84 Ti 0.66666666666667 0.83333333333333 0.52072484179969 47.867 > 7 85 Ti 0.33333333333333 0.16666666666667 0.47927515820031 47.867 > 8 86 Ti 0.83333333333333 0.16666666666667 0.47927515820031 47.867 > 8 87 Ti 0.33333333333333 0.66666666666667 0.47927515820031 47.867 > 8 88 Ti 0.83333333333333 0.66666666666667 0.47927515820031 47.867 > 8 89 Ti 0.00000000000000 0.00000000000000 0.85405817513302 47.867 > 7 90 Ti 0.50000000000000 0.00000000000000 0.85405817513302 47.867 > 7 91 Ti 0.00000000000000 0.50000000000000 0.85405817513302 47.867 > 7 92 Ti 0.50000000000000 0.50000000000000 0.85405817513302 47.867 > 7 93 Ti 0.16666666666667 0.33333333333333 0.81260849153364 47.867 > 8 94 Ti 0.66666666666667 0.33333333333333 0.81260849153364 47.867 > 8 95 Ti 0.16666666666667 0.83333333333333 0.81260849153364 47.867 > 8 96 Ti 0.66666666666667 0.83333333333333 0.81260849153364 47.867 > 8 *97 Zn 0.16666666666667 0.33333333333333 0.30633626471101 65.380 > 9 98 Zn 0.66666666666667 0.33333333333333 0.30633626471101 65.380 > 9 99 Zn 0.16666666666667 0.83333333333333 0.30633626471101 65.380 > 9 100 Zn 0.66666666666667 0.83333333333333 0.30633626471101 65.380 > 9 101 Zn 0.16666666666667 0.33333333333333 0.02699706862232 65.380 > 10 102 Zn 0.66666666666667 0.33333333333333 0.02699706862232 65.380 > 10 103 Zn 0.16666666666667 0.83333333333333 0.02699706862232 65.380 > 10 104 Zn 0.66666666666667 0.83333333333333 0.02699706862232 65.380 > 10 105 Zn 0.00000000000000 0.00000000000000 0.63966959804435 65.380 > 9 106 Zn 0.50000000000000 0.00000000000000 0.63966959804435 65.380 > 9 107 Zn 0.00000000000000 0.50000000000000 0.63966959804435 65.380 > 9 108 Zn 0.50000000000000 0.50000000000000 0.63966959804435 65.380 > 9 109 Zn 0.00000000000000 0.00000000000000 0.36033040195565 65.380 > 10 110 Zn 0.50000000000000 0.00000000000000 0.36033040195565 65.380 > 10 111 Zn 0.00000000000000 0.50000000000000 0.36033040195565 65.380 > 10 112 Zn 0.50000000000000 0.50000000000000 0.36033040195565 65.380 > 10 113 Zn 0.33333333333333 0.16666666666667 0.97300293137768 65.380 > 9 114 Zn 0.83333333333333 0.16666666666667 0.97300293137768 65.380 > 9 115 Zn 0.33333333333333 0.66666666666667 0.97300293137768 65.380 > 9 116 Zn 0.83333333333333 0.66666666666667 0.97300293137768 65.380 > 9 117 Zn 0.33333333333333 0.16666666666667 0.69366373528899 65.380 > 10 118 Zn 0.83333333333333 0.16666666666667 0.69366373528899 65.380 > 10 119 Zn 0.33333333333333 0.66666666666667 0.69366373528899 65.380 > 10 120 Zn 0.83333333333333 0.66666666666667 0.69366373528899 65.380 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.3370654 -0.0000032 0.0000000 0.0000032 6.3370654 0.0000000 0.0000000 0.0000000 5.1601328 -------------------------- Born effective charges -------------------------- 1 O -1.9101859 -0.3749106 -0.6657793 -0.3247863 -3.6795422 -0.3703502 -0.6144435 -0.3243259 -2.0998637 2 O -3.5401808 -0.6162917 0.6536223 -0.5661674 -2.0495473 -0.3914067 0.5880962 -0.3699607 -2.0998637 3 O -2.9342255 0.9160158 0.0121570 0.9661402 -2.6555026 0.7617569 0.0263473 0.6942866 -2.0998637 4 O -1.9101859 -0.3749106 -0.6657793 -0.3247863 -3.6795422 -0.3703502 -0.6144435 -0.3243259 -2.0998637 5 O -2.9342255 0.9160158 0.0121570 0.9661402 -2.6555026 0.7617569 0.0263473 0.6942866 -2.0998637 6 O -3.5401808 -0.6162917 0.6536223 -0.5661674 -2.0495473 -0.3914067 0.5880962 -0.3699607 -2.0998637 7 Ti 5.8701301 0.0468835 0.0000000 -0.0468835 5.8701301 -0.0000000 0.0000000 0.0000000 3.4206133 8 Ti 5.8701301 0.0468835 0.0000000 -0.0468835 5.8701301 -0.0000000 0.0000000 0.0000000 3.4206133 9 Zn 2.5144621 0.0283030 0.0000000 -0.0283030 2.5144621 -0.0000000 0.0000000 0.0000000 2.8789778 10 Zn 2.5144621 0.0283030 0.0000000 -0.0283030 2.5144621 -0.0000000 0.0000000 0.0000000 2.8789778 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 464 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.024 Solver_block: 100 / 240 - Time: 1.034 Solver_block: 200 / 240 - Time: 1.048 Solver_block: 240 / 240 - Time: 0.503 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.646 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 464 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), data: True Max drift after symmetrization by symfc projector: -0.00000000 (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 00:24:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:24:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.535129481488338 1.463657688567846 4.615330646666661 b -2.535129481488334 1.463657688567846 4.615330646666661 c 0.000000000000003 -2.927315377135697 4.615330646666661 Atomic positions (fractional): 1 O 0.22578273355579 0.94977438224140 0.56214497239387 15.999 2 O 0.56214497239387 0.22578273355579 0.94977438224140 15.999 3 O 0.94977438224140 0.56214497239387 0.22578273355579 15.999 4 O 0.77421726644421 0.05022561775860 0.43785502760613 15.999 5 O 0.05022561775860 0.43785502760613 0.77421726644421 15.999 6 O 0.43785502760613 0.77421726644421 0.05022561775861 15.999 7 Ti 0.85405817513302 0.85405817513302 0.85405817513302 47.867 8 Ti 0.14594182486697 0.14594182486698 0.14594182486697 47.867 9 Zn 0.63966959804434 0.63966959804435 0.63966959804434 65.380 10 Zn 0.36033040195565 0.36033040195566 0.36033040195565 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.140517925953345 0.000000000000000 0.000000000000000 b -5.070258962976674 8.781946131407086 0.000000000000000 c 0.000000000000000 0.000000000000000 13.845991939999998 Atomic positions (fractional): 1 O 0.48994101874605 0.34187786183491 0.24590069606368 15.999 > 1 2 O 0.98994101874605 0.34187786183491 0.24590069606368 15.999 > 1 3 O 0.48994101874605 0.84187786183491 0.24590069606368 15.999 > 1 4 O 0.98994101874605 0.84187786183491 0.24590069606368 15.999 > 1 5 O 0.15812213816509 0.14806315691114 0.24590069606368 15.999 > 5 6 O 0.65812213816509 0.14806315691114 0.24590069606368 15.999 > 5 7 O 0.15812213816509 0.64806315691114 0.24590069606368 15.999 > 5 8 O 0.65812213816509 0.64806315691114 0.24590069606368 15.999 > 5 9 O 0.35193684308886 0.01005898125395 0.24590069606368 15.999 > 9 10 O 0.85193684308886 0.01005898125395 0.24590069606368 15.999 > 9 11 O 0.35193684308886 0.51005898125395 0.24590069606368 15.999 > 9 12 O 0.85193684308886 0.51005898125395 0.24590069606368 15.999 > 9 13 O 0.34339231458728 0.32478880483176 0.08743263726965 15.999 > 13 14 O 0.84339231458728 0.32478880483176 0.08743263726965 15.999 > 13 15 O 0.34339231458728 0.82478880483176 0.08743263726965 15.999 > 13 16 O 0.84339231458728 0.82478880483176 0.08743263726965 15.999 > 13 17 O 0.48139649024448 0.15660768541272 0.08743263726965 15.999 > 17 18 O 0.98139649024448 0.15660768541272 0.08743263726965 15.999 > 17 19 O 0.48139649024448 0.65660768541272 0.08743263726965 15.999 > 17 20 O 0.98139649024448 0.65660768541272 0.08743263726965 15.999 > 17 21 O 0.17521119516824 0.01860350975552 0.08743263726965 15.999 > 21 22 O 0.67521119516824 0.01860350975552 0.08743263726965 15.999 > 21 23 O 0.17521119516824 0.51860350975552 0.08743263726965 15.999 > 21 24 O 0.67521119516824 0.51860350975552 0.08743263726965 15.999 > 21 25 O 0.32327435207939 0.00854452850158 0.57923402939702 15.999 > 1 26 O 0.82327435207939 0.00854452850158 0.57923402939702 15.999 > 1 27 O 0.32327435207939 0.50854452850158 0.57923402939702 15.999 > 1 28 O 0.82327435207939 0.50854452850158 0.57923402939702 15.999 > 1 29 O 0.49145547149842 0.31472982357781 0.57923402939702 15.999 > 5 30 O 0.99145547149842 0.31472982357781 0.57923402939702 15.999 > 5 31 O 0.49145547149842 0.81472982357781 0.57923402939702 15.999 > 5 32 O 0.99145547149842 0.81472982357781 0.57923402939702 15.999 > 5 33 O 0.18527017642219 0.17672564792061 0.57923402939702 15.999 > 9 34 O 0.68527017642219 0.17672564792061 0.57923402939702 15.999 > 9 35 O 0.18527017642219 0.67672564792061 0.57923402939702 15.999 > 9 36 O 0.68527017642219 0.67672564792061 0.57923402939702 15.999 > 9 37 O 0.17672564792061 0.49145547149842 0.42076597060298 15.999 > 13 38 O 0.67672564792061 0.49145547149842 0.42076597060298 15.999 > 13 39 O 0.17672564792061 0.99145547149842 0.42076597060298 15.999 > 13 40 O 0.67672564792061 0.99145547149842 0.42076597060298 15.999 > 13 41 O 0.31472982357781 0.32327435207939 0.42076597060298 15.999 > 17 42 O 0.81472982357781 0.32327435207939 0.42076597060298 15.999 > 17 43 O 0.31472982357781 0.82327435207939 0.42076597060298 15.999 > 17 44 O 0.81472982357781 0.82327435207939 0.42076597060298 15.999 > 17 45 O 0.00854452850158 0.18527017642219 0.42076597060298 15.999 > 21 46 O 0.50854452850158 0.18527017642219 0.42076597060298 15.999 > 21 47 O 0.00854452850158 0.68527017642219 0.42076597060298 15.999 > 21 48 O 0.50854452850158 0.68527017642219 0.42076597060298 15.999 > 21 49 O 0.15660768541272 0.17521119516824 0.91256736273035 15.999 > 1 50 O 0.65660768541272 0.17521119516824 0.91256736273035 15.999 > 1 51 O 0.15660768541272 0.67521119516824 0.91256736273035 15.999 > 1 52 O 0.65660768541272 0.67521119516824 0.91256736273035 15.999 > 1 53 O 0.32478880483176 0.48139649024448 0.91256736273035 15.999 > 5 54 O 0.82478880483176 0.48139649024448 0.91256736273035 15.999 > 5 55 O 0.32478880483176 0.98139649024448 0.91256736273035 15.999 > 5 56 O 0.82478880483176 0.98139649024448 0.91256736273035 15.999 > 5 57 O 0.01860350975552 0.34339231458728 0.91256736273035 15.999 > 9 58 O 0.51860350975552 0.34339231458728 0.91256736273035 15.999 > 9 59 O 0.01860350975552 0.84339231458728 0.91256736273035 15.999 > 9 60 O 0.51860350975552 0.84339231458728 0.91256736273035 15.999 > 9 61 O 0.01005898125395 0.15812213816509 0.75409930393632 15.999 > 13 62 O 0.51005898125395 0.15812213816509 0.75409930393632 15.999 > 13 63 O 0.01005898125395 0.65812213816509 0.75409930393632 15.999 > 13 64 O 0.51005898125395 0.65812213816509 0.75409930393632 15.999 > 13 65 O 0.14806315691114 0.48994101874605 0.75409930393632 15.999 > 17 66 O 0.64806315691114 0.48994101874605 0.75409930393632 15.999 > 17 67 O 0.14806315691114 0.98994101874605 0.75409930393632 15.999 > 17 68 O 0.64806315691114 0.98994101874605 0.75409930393632 15.999 > 17 69 O 0.34187786183491 0.35193684308886 0.75409930393632 15.999 > 21 70 O 0.84187786183491 0.35193684308886 0.75409930393632 15.999 > 21 71 O 0.34187786183491 0.85193684308886 0.75409930393632 15.999 > 21 72 O 0.84187786183491 0.85193684308886 0.75409930393632 15.999 > 21 73 Ti 0.33333333333333 0.16666666666667 0.18739150846636 47.867 > 73 74 Ti 0.83333333333333 0.16666666666667 0.18739150846636 47.867 > 73 75 Ti 0.33333333333333 0.66666666666667 0.18739150846636 47.867 > 73 76 Ti 0.83333333333333 0.66666666666667 0.18739150846636 47.867 > 73 77 Ti 0.00000000000000 0.00000000000000 0.14594182486697 47.867 > 77 78 Ti 0.50000000000000 0.00000000000000 0.14594182486697 47.867 > 77 79 Ti 0.00000000000000 0.50000000000000 0.14594182486697 47.867 > 77 80 Ti 0.50000000000000 0.50000000000000 0.14594182486697 47.867 > 77 81 Ti 0.16666666666667 0.33333333333333 0.52072484179969 47.867 > 73 82 Ti 0.66666666666667 0.33333333333333 0.52072484179969 47.867 > 73 83 Ti 0.16666666666667 0.83333333333333 0.52072484179969 47.867 > 73 84 Ti 0.66666666666667 0.83333333333333 0.52072484179969 47.867 > 73 85 Ti 0.33333333333333 0.16666666666667 0.47927515820031 47.867 > 77 86 Ti 0.83333333333333 0.16666666666667 0.47927515820031 47.867 > 77 87 Ti 0.33333333333333 0.66666666666667 0.47927515820031 47.867 > 77 88 Ti 0.83333333333333 0.66666666666667 0.47927515820031 47.867 > 77 89 Ti 0.00000000000000 0.00000000000000 0.85405817513302 47.867 > 73 90 Ti 0.50000000000000 0.00000000000000 0.85405817513302 47.867 > 73 91 Ti 0.00000000000000 0.50000000000000 0.85405817513302 47.867 > 73 92 Ti 0.50000000000000 0.50000000000000 0.85405817513302 47.867 > 73 93 Ti 0.16666666666667 0.33333333333333 0.81260849153364 47.867 > 77 94 Ti 0.66666666666667 0.33333333333333 0.81260849153364 47.867 > 77 95 Ti 0.16666666666667 0.83333333333333 0.81260849153364 47.867 > 77 96 Ti 0.66666666666667 0.83333333333333 0.81260849153364 47.867 > 77 97 Zn 0.16666666666667 0.33333333333333 0.30633626471101 65.380 > 97 98 Zn 0.66666666666667 0.33333333333333 0.30633626471101 65.380 > 97 99 Zn 0.16666666666667 0.83333333333333 0.30633626471101 65.380 > 97 100 Zn 0.66666666666667 0.83333333333333 0.30633626471101 65.380 > 97 101 Zn 0.16666666666667 0.33333333333333 0.02699706862232 65.380 > 101 102 Zn 0.66666666666667 0.33333333333333 0.02699706862232 65.380 > 101 103 Zn 0.16666666666667 0.83333333333333 0.02699706862232 65.380 > 101 104 Zn 0.66666666666667 0.83333333333333 0.02699706862232 65.380 > 101 105 Zn 0.00000000000000 0.00000000000000 0.63966959804435 65.380 > 97 106 Zn 0.50000000000000 0.00000000000000 0.63966959804435 65.380 > 97 107 Zn 0.00000000000000 0.50000000000000 0.63966959804435 65.380 > 97 108 Zn 0.50000000000000 0.50000000000000 0.63966959804435 65.380 > 97 109 Zn 0.00000000000000 0.00000000000000 0.36033040195565 65.380 > 101 110 Zn 0.50000000000000 0.00000000000000 0.36033040195565 65.380 > 101 111 Zn 0.00000000000000 0.50000000000000 0.36033040195565 65.380 > 101 112 Zn 0.50000000000000 0.50000000000000 0.36033040195565 65.380 > 101 113 Zn 0.33333333333333 0.16666666666667 0.97300293137768 65.380 > 97 114 Zn 0.83333333333333 0.16666666666667 0.97300293137768 65.380 > 97 115 Zn 0.33333333333333 0.66666666666667 0.97300293137768 65.380 > 97 116 Zn 0.83333333333333 0.66666666666667 0.97300293137768 65.380 > 97 117 Zn 0.33333333333333 0.16666666666667 0.69366373528899 65.380 > 101 118 Zn 0.83333333333333 0.16666666666667 0.69366373528899 65.380 > 101 119 Zn 0.33333333333333 0.66666666666667 0.69366373528899 65.380 > 101 120 Zn 0.83333333333333 0.66666666666667 0.69366373528899 65.380 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.3370654 -0.0000032 0.0000000 0.0000032 6.3370654 0.0000000 0.0000000 0.0000000 5.1601328 -------------------------- Born effective charges -------------------------- 1 O -1.9101859 -0.3749106 -0.6657793 -0.3247863 -3.6795422 -0.3703502 -0.6144435 -0.3243259 -2.0998637 2 O -3.5401808 -0.6162917 0.6536223 -0.5661674 -2.0495473 -0.3914067 0.5880962 -0.3699607 -2.0998637 3 O -2.9342255 0.9160158 0.0121570 0.9661402 -2.6555026 0.7617569 0.0263473 0.6942866 -2.0998637 4 O -1.9101859 -0.3749106 -0.6657793 -0.3247863 -3.6795422 -0.3703502 -0.6144435 -0.3243259 -2.0998637 5 O -2.9342255 0.9160158 0.0121570 0.9661402 -2.6555026 0.7617569 0.0263473 0.6942866 -2.0998637 6 O -3.5401808 -0.6162917 0.6536223 -0.5661674 -2.0495473 -0.3914067 0.5880962 -0.3699607 -2.0998637 7 Ti 5.8701301 0.0468835 0.0000000 -0.0468835 5.8701301 -0.0000000 0.0000000 0.0000000 3.4206133 8 Ti 5.8701301 0.0468835 0.0000000 -0.0468835 5.8701301 -0.0000000 0.0000000 0.0000000 3.4206133 9 Zn 2.5144621 0.0283030 0.0000000 -0.0283030 2.5144621 -0.0000000 0.0000000 0.0000000 2.8789778 10 Zn 2.5144621 0.0283030 0.0000000 -0.0283030 2.5144621 -0.0000000 0.0000000 0.0000000 2.8789778 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zx) 0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:24:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:24:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.535129481488338 1.463657688567846 4.615330646666661 b -2.535129481488334 1.463657688567846 4.615330646666661 c 0.000000000000003 -2.927315377135697 4.615330646666661 Atomic positions (fractional): 1 O 0.22578273355579 0.94977438224140 0.56214497239387 15.999 2 O 0.56214497239387 0.22578273355579 0.94977438224140 15.999 3 O 0.94977438224140 0.56214497239387 0.22578273355579 15.999 4 O 0.77421726644421 0.05022561775860 0.43785502760613 15.999 5 O 0.05022561775860 0.43785502760613 0.77421726644421 15.999 6 O 0.43785502760613 0.77421726644421 0.05022561775861 15.999 7 Ti 0.85405817513302 0.85405817513302 0.85405817513302 47.867 8 Ti 0.14594182486697 0.14594182486698 0.14594182486697 47.867 9 Zn 0.63966959804434 0.63966959804435 0.63966959804434 65.380 10 Zn 0.36033040195565 0.36033040195566 0.36033040195565 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.140517925953345 0.000000000000000 0.000000000000000 b -5.070258962976674 8.781946131407086 0.000000000000000 c 0.000000000000000 0.000000000000000 13.845991939999998 Atomic positions (fractional): 1 O 0.48994101874605 0.34187786183491 0.24590069606368 15.999 > 1 2 O 0.98994101874605 0.34187786183491 0.24590069606368 15.999 > 1 3 O 0.48994101874605 0.84187786183491 0.24590069606368 15.999 > 1 4 O 0.98994101874605 0.84187786183491 0.24590069606368 15.999 > 1 5 O 0.15812213816509 0.14806315691114 0.24590069606368 15.999 > 5 6 O 0.65812213816509 0.14806315691114 0.24590069606368 15.999 > 5 7 O 0.15812213816509 0.64806315691114 0.24590069606368 15.999 > 5 8 O 0.65812213816509 0.64806315691114 0.24590069606368 15.999 > 5 9 O 0.35193684308886 0.01005898125395 0.24590069606368 15.999 > 9 10 O 0.85193684308886 0.01005898125395 0.24590069606368 15.999 > 9 11 O 0.35193684308886 0.51005898125395 0.24590069606368 15.999 > 9 12 O 0.85193684308886 0.51005898125395 0.24590069606368 15.999 > 9 13 O 0.34339231458728 0.32478880483176 0.08743263726965 15.999 > 13 14 O 0.84339231458728 0.32478880483176 0.08743263726965 15.999 > 13 15 O 0.34339231458728 0.82478880483176 0.08743263726965 15.999 > 13 16 O 0.84339231458728 0.82478880483176 0.08743263726965 15.999 > 13 17 O 0.48139649024448 0.15660768541272 0.08743263726965 15.999 > 17 18 O 0.98139649024448 0.15660768541272 0.08743263726965 15.999 > 17 19 O 0.48139649024448 0.65660768541272 0.08743263726965 15.999 > 17 20 O 0.98139649024448 0.65660768541272 0.08743263726965 15.999 > 17 21 O 0.17521119516824 0.01860350975552 0.08743263726965 15.999 > 21 22 O 0.67521119516824 0.01860350975552 0.08743263726965 15.999 > 21 23 O 0.17521119516824 0.51860350975552 0.08743263726965 15.999 > 21 24 O 0.67521119516824 0.51860350975552 0.08743263726965 15.999 > 21 25 O 0.32327435207939 0.00854452850158 0.57923402939702 15.999 > 1 26 O 0.82327435207939 0.00854452850158 0.57923402939702 15.999 > 1 27 O 0.32327435207939 0.50854452850158 0.57923402939702 15.999 > 1 28 O 0.82327435207939 0.50854452850158 0.57923402939702 15.999 > 1 29 O 0.49145547149842 0.31472982357781 0.57923402939702 15.999 > 5 30 O 0.99145547149842 0.31472982357781 0.57923402939702 15.999 > 5 31 O 0.49145547149842 0.81472982357781 0.57923402939702 15.999 > 5 32 O 0.99145547149842 0.81472982357781 0.57923402939702 15.999 > 5 33 O 0.18527017642219 0.17672564792061 0.57923402939702 15.999 > 9 34 O 0.68527017642219 0.17672564792061 0.57923402939702 15.999 > 9 35 O 0.18527017642219 0.67672564792061 0.57923402939702 15.999 > 9 36 O 0.68527017642219 0.67672564792061 0.57923402939702 15.999 > 9 37 O 0.17672564792061 0.49145547149842 0.42076597060298 15.999 > 13 38 O 0.67672564792061 0.49145547149842 0.42076597060298 15.999 > 13 39 O 0.17672564792061 0.99145547149842 0.42076597060298 15.999 > 13 40 O 0.67672564792061 0.99145547149842 0.42076597060298 15.999 > 13 41 O 0.31472982357781 0.32327435207939 0.42076597060298 15.999 > 17 42 O 0.81472982357781 0.32327435207939 0.42076597060298 15.999 > 17 43 O 0.31472982357781 0.82327435207939 0.42076597060298 15.999 > 17 44 O 0.81472982357781 0.82327435207939 0.42076597060298 15.999 > 17 45 O 0.00854452850158 0.18527017642219 0.42076597060298 15.999 > 21 46 O 0.50854452850158 0.18527017642219 0.42076597060298 15.999 > 21 47 O 0.00854452850158 0.68527017642219 0.42076597060298 15.999 > 21 48 O 0.50854452850158 0.68527017642219 0.42076597060298 15.999 > 21 49 O 0.15660768541272 0.17521119516824 0.91256736273035 15.999 > 1 50 O 0.65660768541272 0.17521119516824 0.91256736273035 15.999 > 1 51 O 0.15660768541272 0.67521119516824 0.91256736273035 15.999 > 1 52 O 0.65660768541272 0.67521119516824 0.91256736273035 15.999 > 1 53 O 0.32478880483176 0.48139649024448 0.91256736273035 15.999 > 5 54 O 0.82478880483176 0.48139649024448 0.91256736273035 15.999 > 5 55 O 0.32478880483176 0.98139649024448 0.91256736273035 15.999 > 5 56 O 0.82478880483176 0.98139649024448 0.91256736273035 15.999 > 5 57 O 0.01860350975552 0.34339231458728 0.91256736273035 15.999 > 9 58 O 0.51860350975552 0.34339231458728 0.91256736273035 15.999 > 9 59 O 0.01860350975552 0.84339231458728 0.91256736273035 15.999 > 9 60 O 0.51860350975552 0.84339231458728 0.91256736273035 15.999 > 9 61 O 0.01005898125395 0.15812213816509 0.75409930393632 15.999 > 13 62 O 0.51005898125395 0.15812213816509 0.75409930393632 15.999 > 13 63 O 0.01005898125395 0.65812213816509 0.75409930393632 15.999 > 13 64 O 0.51005898125395 0.65812213816509 0.75409930393632 15.999 > 13 65 O 0.14806315691114 0.48994101874605 0.75409930393632 15.999 > 17 66 O 0.64806315691114 0.48994101874605 0.75409930393632 15.999 > 17 67 O 0.14806315691114 0.98994101874605 0.75409930393632 15.999 > 17 68 O 0.64806315691114 0.98994101874605 0.75409930393632 15.999 > 17 69 O 0.34187786183491 0.35193684308886 0.75409930393632 15.999 > 21 70 O 0.84187786183491 0.35193684308886 0.75409930393632 15.999 > 21 71 O 0.34187786183491 0.85193684308886 0.75409930393632 15.999 > 21 72 O 0.84187786183491 0.85193684308886 0.75409930393632 15.999 > 21 73 Ti 0.33333333333333 0.16666666666667 0.18739150846636 47.867 > 73 74 Ti 0.83333333333333 0.16666666666667 0.18739150846636 47.867 > 73 75 Ti 0.33333333333333 0.66666666666667 0.18739150846636 47.867 > 73 76 Ti 0.83333333333333 0.66666666666667 0.18739150846636 47.867 > 73 77 Ti 0.00000000000000 0.00000000000000 0.14594182486697 47.867 > 77 78 Ti 0.50000000000000 0.00000000000000 0.14594182486697 47.867 > 77 79 Ti 0.00000000000000 0.50000000000000 0.14594182486697 47.867 > 77 80 Ti 0.50000000000000 0.50000000000000 0.14594182486697 47.867 > 77 81 Ti 0.16666666666667 0.33333333333333 0.52072484179969 47.867 > 73 82 Ti 0.66666666666667 0.33333333333333 0.52072484179969 47.867 > 73 83 Ti 0.16666666666667 0.83333333333333 0.52072484179969 47.867 > 73 84 Ti 0.66666666666667 0.83333333333333 0.52072484179969 47.867 > 73 85 Ti 0.33333333333333 0.16666666666667 0.47927515820031 47.867 > 77 86 Ti 0.83333333333333 0.16666666666667 0.47927515820031 47.867 > 77 87 Ti 0.33333333333333 0.66666666666667 0.47927515820031 47.867 > 77 88 Ti 0.83333333333333 0.66666666666667 0.47927515820031 47.867 > 77 89 Ti 0.00000000000000 0.00000000000000 0.85405817513302 47.867 > 73 90 Ti 0.50000000000000 0.00000000000000 0.85405817513302 47.867 > 73 91 Ti 0.00000000000000 0.50000000000000 0.85405817513302 47.867 > 73 92 Ti 0.50000000000000 0.50000000000000 0.85405817513302 47.867 > 73 93 Ti 0.16666666666667 0.33333333333333 0.81260849153364 47.867 > 77 94 Ti 0.66666666666667 0.33333333333333 0.81260849153364 47.867 > 77 95 Ti 0.16666666666667 0.83333333333333 0.81260849153364 47.867 > 77 96 Ti 0.66666666666667 0.83333333333333 0.81260849153364 47.867 > 77 97 Zn 0.16666666666667 0.33333333333333 0.30633626471101 65.380 > 97 98 Zn 0.66666666666667 0.33333333333333 0.30633626471101 65.380 > 97 99 Zn 0.16666666666667 0.83333333333333 0.30633626471101 65.380 > 97 100 Zn 0.66666666666667 0.83333333333333 0.30633626471101 65.380 > 97 101 Zn 0.16666666666667 0.33333333333333 0.02699706862232 65.380 > 101 102 Zn 0.66666666666667 0.33333333333333 0.02699706862232 65.380 > 101 103 Zn 0.16666666666667 0.83333333333333 0.02699706862232 65.380 > 101 104 Zn 0.66666666666667 0.83333333333333 0.02699706862232 65.380 > 101 105 Zn 0.00000000000000 0.00000000000000 0.63966959804435 65.380 > 97 106 Zn 0.50000000000000 0.00000000000000 0.63966959804435 65.380 > 97 107 Zn 0.00000000000000 0.50000000000000 0.63966959804435 65.380 > 97 108 Zn 0.50000000000000 0.50000000000000 0.63966959804435 65.380 > 97 109 Zn 0.00000000000000 0.00000000000000 0.36033040195565 65.380 > 101 110 Zn 0.50000000000000 0.00000000000000 0.36033040195565 65.380 > 101 111 Zn 0.00000000000000 0.50000000000000 0.36033040195565 65.380 > 101 112 Zn 0.50000000000000 0.50000000000000 0.36033040195565 65.380 > 101 113 Zn 0.33333333333333 0.16666666666667 0.97300293137768 65.380 > 97 114 Zn 0.83333333333333 0.16666666666667 0.97300293137768 65.380 > 97 115 Zn 0.33333333333333 0.66666666666667 0.97300293137768 65.380 > 97 116 Zn 0.83333333333333 0.66666666666667 0.97300293137768 65.380 > 97 117 Zn 0.33333333333333 0.16666666666667 0.69366373528899 65.380 > 101 118 Zn 0.83333333333333 0.16666666666667 0.69366373528899 65.380 > 101 119 Zn 0.33333333333333 0.66666666666667 0.69366373528899 65.380 > 101 120 Zn 0.83333333333333 0.66666666666667 0.69366373528899 65.380 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.3370654 -0.0000032 0.0000000 0.0000032 6.3370654 0.0000000 0.0000000 0.0000000 5.1601328 -------------------------- Born effective charges -------------------------- 1 O -1.9101859 -0.3749106 -0.6657793 -0.3247863 -3.6795422 -0.3703502 -0.6144435 -0.3243259 -2.0998637 2 O -3.5401808 -0.6162917 0.6536223 -0.5661674 -2.0495473 -0.3914067 0.5880962 -0.3699607 -2.0998637 3 O -2.9342255 0.9160158 0.0121570 0.9661402 -2.6555026 0.7617569 0.0263473 0.6942866 -2.0998637 4 O -1.9101859 -0.3749106 -0.6657793 -0.3247863 -3.6795422 -0.3703502 -0.6144435 -0.3243259 -2.0998637 5 O -2.9342255 0.9160158 0.0121570 0.9661402 -2.6555026 0.7617569 0.0263473 0.6942866 -2.0998637 6 O -3.5401808 -0.6162917 0.6536223 -0.5661674 -2.0495473 -0.3914067 0.5880962 -0.3699607 -2.0998637 7 Ti 5.8701301 0.0468835 0.0000000 -0.0468835 5.8701301 -0.0000000 0.0000000 0.0000000 3.4206133 8 Ti 5.8701301 0.0468835 0.0000000 -0.0468835 5.8701301 -0.0000000 0.0000000 0.0000000 3.4206133 9 Zn 2.5144621 0.0283030 0.0000000 -0.0283030 2.5144621 -0.0000000 0.0000000 0.0000000 2.8789778 10 Zn 2.5144621 0.0283030 0.0000000 -0.0283030 2.5144621 -0.0000000 0.0000000 0.0000000 2.8789778 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) 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 ... [ 12 12 12 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.89, Number of G-points: 297, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/294) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 4.147 ( 0.000 0.000 0.000) 0.000 5.278 ( 0.000 0.000 0.000) 0.000 5.278 ( 0.000 0.000 0.000) 0.000 5.619 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 6.743 ( 0.000 0.000 0.000) 0.000 7.598 ( 0.000 0.000 0.000) 0.000 7.598 ( 0.000 0.000 0.000) 0.000 8.368 ( 0.000 0.000 0.000) 0.000 8.368 ( 0.000 0.000 0.000) 0.000 9.857 ( 0.000 0.000 0.000) 0.000 9.857 ( 0.000 0.000 0.000) 0.000 11.237 ( 0.000 0.000 0.000) 0.000 11.289 ( 0.000 0.000 0.000) 0.000 12.222 ( 0.000 0.000 0.000) 0.000 12.222 ( 0.000 0.000 0.000) 0.000 13.657 ( 0.000 0.000 0.000) 0.000 13.657 ( 0.000 0.000 0.000) 0.000 13.981 ( 0.000 0.000 0.000) 0.000 14.988 ( 0.000 0.000 0.000) 0.000 15.314 ( 0.000 0.000 0.000) 0.000 15.314 ( 0.000 0.000 0.000) 0.000 18.412 ( 0.000 0.000 0.000) 0.000 18.412 ( 0.000 0.000 0.000) 0.000 19.995 ( 0.000 0.000 0.000) 0.000 20.657 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/294) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 20.791 14.406 25.482) 35.904 0.664 ( 29.596 19.554 -1.317) 35.497 1.577 ( 67.766 36.916 14.784) 78.572 4.100 ( -3.514 -2.029 -2.525) 4.779 5.125 ( -10.502 -5.994 -6.873) 13.909 5.232 ( -3.010 -5.188 2.799) 6.619 5.653 ( -3.849 -2.286 4.303) 6.210 5.804 ( 1.383 -1.778 5.180) 5.648 6.066 ( -10.524 -2.611 17.782) 20.827 6.830 ( 6.550 4.546 -1.836) 8.182 7.562 ( -3.534 1.317 -1.913) 4.229 7.620 ( 0.653 3.138 0.799) 3.303 8.440 ( 8.555 -4.327 3.416) 10.177 9.847 ( 1.439 -1.890 -3.863) 4.535 9.887 ( 0.469 3.186 2.950) 4.367 10.119 ( 5.242 9.523 -4.349) 11.709 11.191 ( -7.971 -4.303 -0.910) 9.104 11.206 ( -4.820 -2.333 2.439) 5.884 12.180 ( -1.668 -0.403 -9.281) 9.438 13.467 ( -9.153 -13.323 3.448) 16.527 13.597 ( -12.940 10.486 0.858) 16.677 13.739 ( 4.096 -2.201 -21.258) 21.761 14.044 ( 6.367 2.701 -2.151) 7.243 14.994 ( -3.035 -6.941 13.139) 15.167 15.384 ( 6.547 2.737 0.213) 7.099 18.323 ( -8.406 1.230 -7.118) 11.083 18.458 ( 4.644 0.411 1.595) 4.927 19.915 ( 19.866 6.727 -46.030) 50.583 20.629 ( -2.578 -1.558 0.583) 3.069 22.273 ( 4.494 3.339 -17.799) 18.659 ======================= Grid point 2 (3/294) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 21.785 10.821 22.982) 33.464 1.325 ( 27.891 21.627 -1.383) 35.321 3.071 ( 61.309 32.365 14.700) 70.869 3.973 ( -6.020 -3.235 -3.344) 7.609 4.818 ( -10.843 -6.787 -10.268) 16.403 5.125 ( -8.046 -4.800 6.870) 11.618 5.481 ( -6.652 -9.054 -8.370) 14.010 5.864 ( -2.704 -1.297 12.792) 13.139 6.017 ( -0.792 -0.131 8.545) 8.582 6.959 ( 4.811 4.073 -3.620) 7.269 7.517 ( -2.722 2.795 -0.168) 3.905 7.694 ( 1.673 8.048 0.353) 8.227 8.561 ( 10.520 -7.663 1.621) 13.116 9.817 ( 0.664 -3.407 -4.460) 5.651 9.945 ( -1.235 3.704 4.662) 6.082 10.290 ( 2.716 8.828 0.382) 9.244 11.000 ( -8.220 -0.523 1.932) 8.461 11.094 ( -6.124 -3.191 -0.129) 6.906 12.047 ( -4.497 -1.213 -15.107) 15.809 13.200 ( -10.582 -12.773 5.945) 17.620 13.466 ( -15.286 12.132 -2.282) 19.648 13.584 ( -4.426 -8.609 -7.902) 12.496 14.156 ( 4.193 0.837 0.432) 4.297 14.947 ( -0.515 -12.150 12.909) 17.734 15.563 ( 9.204 6.302 0.215) 11.157 18.098 ( -12.509 1.028 -11.857) 17.266 18.584 ( 7.573 1.388 3.444) 8.435 20.039 ( 15.232 2.091 -26.478) 30.618 20.563 ( -3.040 -2.650 1.405) 4.270 22.264 ( 0.027 1.614 -5.946) 6.161 ======================= Grid point 3 (4/294) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 21.323 9.399 19.224) 30.209 1.960 ( 25.702 20.412 -1.841) 32.873 3.787 ( -5.261 -3.552 -2.051) 6.671 4.202 ( 20.269 3.878 6.671) 21.688 4.691 ( 14.762 12.323 -3.917) 19.625 4.928 ( -18.637 -1.355 8.417) 20.494 5.260 ( 2.806 -11.682 -10.369) 15.870 5.809 ( -3.894 -6.178 6.531) 9.797 6.173 ( 7.421 7.327 11.971) 15.877 6.990 ( -0.132 -0.635 -5.446) 5.484 7.552 ( 2.139 5.311 2.863) 6.401 7.832 ( 2.830 13.465 -1.256) 13.816 8.659 ( 10.004 -7.361 -0.500) 12.430 9.734 ( -2.541 -6.567 -3.855) 8.028 9.939 ( -6.191 2.751 1.163) 6.874 10.225 ( -10.247 -5.281 -3.201) 11.964 10.940 ( -8.251 -4.751 3.417) 10.115 11.114 ( 7.620 16.251 6.992) 19.263 11.838 ( -6.523 -3.049 -16.149) 17.681 12.984 ( -8.715 -5.313 5.538) 11.612 13.273 ( -9.913 -0.744 -11.820) 15.444 13.402 ( -9.290 -0.981 4.089) 10.197 14.167 ( -4.170 -3.999 6.827) 8.944 14.926 ( 4.397 -12.531 9.758) 16.480 15.792 ( 9.674 7.833 1.199) 12.505 17.805 ( -13.311 -0.723 -14.871) 19.972 18.764 ( 8.281 2.927 5.471) 10.348 20.093 ( 6.876 -0.713 -20.198) 21.348 20.523 ( 1.427 -3.259 0.223) 3.565 22.231 ( -2.585 0.880 -1.787) 3.263 ======================= Grid point 4 (5/294) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 19.091 9.760 15.846) 26.661 2.518 ( 22.739 16.064 -3.560) 28.067 3.676 ( -3.589 -1.031 -0.411) 3.757 4.120 ( -5.877 -10.089 -6.360) 13.296 4.602 ( -21.108 -4.366 6.280) 22.451 4.883 ( -4.656 -6.791 -4.390) 9.331 5.465 ( 11.612 3.452 3.292) 12.554 5.820 ( 10.225 -1.349 6.743) 12.322 6.594 ( 20.929 15.211 10.759) 28.021 6.900 ( -0.883 -1.496 -7.263) 7.468 7.723 ( 7.942 6.630 5.705) 11.814 8.012 ( 2.581 16.549 -2.981) 17.012 8.756 ( 9.211 -4.122 -1.165) 10.158 9.549 ( -7.283 -11.137 -3.090) 13.661 9.772 ( -12.883 -3.048 -3.362) 13.659 9.991 ( -9.570 -2.008 -1.945) 9.970 10.764 ( -7.899 -6.295 1.505) 10.212 11.502 ( 10.052 18.203 8.848) 22.598 11.605 ( -5.938 -4.937 -11.442) 13.804 12.868 ( -8.076 0.935 3.544) 8.868 13.043 ( -3.803 -5.678 -9.878) 12.011 13.303 ( -6.841 3.666 2.791) 8.248 14.035 ( -9.628 -9.879 11.453) 17.930 14.965 ( 6.176 -8.321 5.467) 11.716 16.041 ( 10.020 7.261 3.730) 12.925 17.476 ( -12.857 -3.052 -16.378) 21.044 18.966 ( 7.183 4.283 6.972) 10.888 20.022 ( -0.216 -2.106 -14.088) 14.246 20.537 ( 4.538 -3.783 -2.791) 6.535 22.180 ( -3.459 0.556 -0.100) 3.505 ======================= Grid point 5 (6/294) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( 12.833 11.164 11.089) 20.305 2.971 ( 21.150 8.213 -3.284) 22.925 3.610 ( -6.228 -0.141 -1.053) 6.318 3.898 ( -4.688 -8.591 -4.747) 10.877 4.275 ( -15.762 -3.179 3.964) 16.561 4.671 ( -6.300 -8.210 -3.775) 11.015 5.516 ( -0.991 -0.708 0.943) 1.540 6.088 ( 10.548 1.559 12.266) 16.253 6.638 ( -6.507 -5.686 -9.016) 12.489 7.367 ( 27.836 16.228 5.556) 32.696 7.965 ( 7.734 5.597 4.862) 10.713 8.175 ( 1.458 14.507 -1.811) 14.692 8.873 ( 7.991 0.594 -2.413) 8.369 9.274 ( -8.605 -12.663 -1.410) 15.375 9.496 ( -12.697 -4.460 -2.590) 13.705 9.818 ( -8.387 -1.708 -1.005) 8.618 10.609 ( -4.514 -4.151 -0.213) 6.136 11.423 ( -3.896 -2.342 -7.599) 8.854 11.838 ( 6.638 9.721 7.645) 14.036 12.739 ( -6.572 -1.345 -0.703) 6.745 12.957 ( -0.217 -0.574 -3.656) 3.708 13.295 ( -0.769 6.486 -0.587) 6.558 13.838 ( -8.757 -11.343 10.252) 17.620 15.017 ( 3.782 -3.835 2.445) 5.915 16.299 ( 9.627 5.544 6.687) 12.967 17.143 ( -11.143 -4.176 -14.515) 18.769 19.148 ( 4.592 3.908 6.114) 8.587 19.910 ( -1.770 -2.198 -8.687) 9.134 20.551 ( 2.913 -2.838 -2.626) 4.841 22.135 ( -2.341 0.341 0.288) 2.383 ======================= Grid point 6 (7/294) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 -0.000 0.000) 0.000 4.146 ( 0.000 0.000 0.000) 0.000 4.552 ( 0.000 0.000 0.000) 0.000 5.505 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.461 ( 0.000 -0.000 0.000) 0.000 7.747 ( 0.000 0.000 0.000) 0.000 8.041 ( -0.000 0.000 0.000) 0.000 8.306 ( 0.000 0.000 0.000) 0.000 8.927 ( 0.000 0.000 0.000) 0.000 9.145 ( 0.000 0.000 0.000) 0.000 9.311 ( 0.000 -0.000 0.000) 0.000 9.723 ( 0.000 0.000 0.000) 0.000 10.551 ( 0.000 0.000 0.000) 0.000 11.355 ( 0.000 0.000 0.000) 0.000 11.966 ( 0.000 0.000 0.000) 0.000 12.671 ( 0.000 0.000 0.000) 0.000 12.941 ( 0.000 0.000 0.000) 0.000 13.341 ( 0.000 -0.000 0.000) 0.000 13.721 ( 0.000 0.000 0.000) 0.000 15.038 ( 0.000 0.000 0.000) 0.000 16.466 ( 0.000 0.000 0.000) 0.000 16.945 ( 0.000 0.000 0.000) 0.000 19.231 ( 0.000 -0.000 0.000) 0.000 19.851 ( 0.000 0.000 0.000) 0.000 20.553 ( 0.000 0.000 0.000) 0.000 22.118 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/294) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 3.578 32.605 17.942) 37.387 0.935 ( 4.768 25.199 35.898) 44.118 1.561 ( -4.983 69.257 17.469) 71.600 4.081 ( 0.084 -4.336 -3.298) 5.449 5.042 ( -0.112 -11.889 -12.936) 17.570 5.233 ( -4.867 -4.444 0.282) 6.597 5.766 ( 5.700 0.694 4.565) 7.335 5.855 ( -10.408 -2.082 8.045) 13.319 6.162 ( 5.622 -30.290 33.238) 45.320 6.816 ( 1.585 8.319 -3.169) 9.042 7.584 ( 12.485 -1.528 0.493) 12.588 7.644 ( -3.506 2.808 3.249) 5.544 8.441 ( -15.105 4.521 3.459) 16.142 9.750 ( 1.551 1.652 -12.617) 12.819 9.904 ( 3.838 3.918 1.242) 5.623 10.061 ( 5.891 8.953 -5.295) 11.954 11.179 ( 0.151 -9.497 -1.407) 9.602 11.225 ( 1.035 -6.664 2.219) 7.099 12.265 ( 1.074 3.986 -0.324) 4.141 13.210 ( 4.002 -4.496 -27.335) 27.990 13.589 ( -3.403 -7.605 1.613) 8.486 13.814 ( 4.784 5.893 -5.608) 9.438 14.070 ( -0.140 10.216 -0.076) 10.217 15.014 ( -3.307 -13.099 12.964) 18.724 15.435 ( -5.292 8.726 5.950) 11.813 18.338 ( -4.308 -3.833 -6.088) 8.385 18.415 ( 11.498 2.301 -2.650) 12.022 19.575 ( -8.301 49.139 -66.352) 82.982 20.628 ( -0.017 -2.035 -1.203) 2.364 22.110 ( 0.909 8.810 -19.497) 21.414 ======================= Grid point 15 (9/294) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 3.725 22.297 29.822) 37.422 1.472 ( 6.799 33.617 17.747) 38.617 2.672 ( 42.733 52.048 15.177) 69.032 3.988 ( -3.051 -4.970 -3.422) 6.762 4.799 ( -4.957 -11.345 -15.657) 19.961 5.091 ( -3.047 -8.534 -0.022) 9.062 5.622 ( -13.960 -2.956 0.564) 14.281 5.932 ( 4.730 0.103 12.760) 13.609 6.056 ( -4.729 -15.779 12.380) 20.606 6.943 ( 3.345 8.543 -2.284) 9.454 7.592 ( -5.922 0.195 7.103) 9.250 7.779 ( 6.426 5.196 3.032) 8.802 8.359 ( 2.202 2.765 -5.854) 6.838 9.743 ( 1.766 -1.220 -6.208) 6.569 10.020 ( 1.532 4.187 6.785) 8.119 10.253 ( 8.950 3.050 -3.040) 9.932 11.044 ( -2.327 -8.293 -1.782) 8.796 11.166 ( -2.700 -4.956 3.859) 6.837 12.152 ( -14.071 7.356 -8.092) 17.821 13.171 ( 6.488 -13.867 -8.567) 17.543 13.439 ( -2.132 -10.788 -2.339) 11.243 13.800 ( -7.594 1.678 4.065) 8.775 14.145 ( -2.576 10.507 -1.553) 10.929 14.906 ( -3.391 -14.702 12.083) 19.330 15.525 ( 3.852 9.875 2.944) 11.001 18.153 ( -5.242 -8.140 -9.157) 13.327 18.600 ( 3.415 9.162 2.515) 10.096 19.656 ( 11.337 23.027 -43.515) 50.520 20.582 ( -1.928 -2.910 -0.375) 3.511 22.147 ( 6.804 0.001 -10.949) 12.890 ======================= Grid point 16 (10/294) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 10.807 17.115 24.854) 32.053 2.011 ( 10.146 31.086 11.670) 34.720 3.744 ( 13.631 6.560 2.037) 15.264 3.967 ( 17.225 13.228 6.347) 22.627 4.578 ( 3.040 0.321 -10.422) 10.861 4.974 ( 1.296 -11.017 -4.491) 11.967 5.340 ( -17.940 -0.900 0.687) 17.976 5.869 ( -6.518 -11.571 9.575) 16.372 6.154 ( 9.701 4.288 9.398) 14.171 6.993 ( -2.852 2.007 -2.319) 4.188 7.590 ( -0.036 2.194 7.749) 8.054 7.952 ( 3.106 13.647 -0.057) 13.996 8.438 ( 8.486 0.128 -4.447) 9.581 9.692 ( -1.619 -3.584 -4.611) 6.061 10.084 ( -4.430 3.888 6.079) 8.467 10.244 ( -3.354 -8.470 -6.734) 11.328 10.980 ( -0.525 -4.498 -2.861) 5.357 11.179 ( 4.775 2.224 13.276) 14.283 11.904 ( -14.261 4.377 -13.324) 20.002 13.049 ( -2.035 -8.934 -0.860) 9.203 13.256 ( -5.070 -10.626 -7.209) 13.805 13.685 ( -13.678 3.127 9.938) 17.193 14.200 ( 0.841 3.998 0.109) 4.086 14.773 ( -1.214 -20.218 14.531) 24.928 15.752 ( 8.618 11.596 0.849) 14.473 17.890 ( -9.579 -6.023 -14.761) 18.599 18.772 ( 3.031 11.685 5.477) 13.256 19.785 ( 12.165 8.629 -30.603) 34.044 20.518 ( -2.237 -2.786 0.956) 3.699 22.171 ( 4.622 -3.901 -6.737) 9.053 ======================= Grid point 17 (11/294) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 14.449 12.778 19.888) 27.706 2.514 ( 10.334 27.033 5.766) 29.510 3.703 ( -2.376 -2.729 -0.490) 3.651 4.071 ( -3.878 -9.906 -5.428) 11.943 4.766 ( -3.267 -9.459 2.393) 10.290 4.920 ( -4.903 -9.256 -6.060) 12.101 5.281 ( 15.352 20.484 5.079) 26.097 5.747 ( -0.697 -6.562 5.158) 8.376 6.522 ( 17.612 15.311 11.972) 26.229 6.867 ( -6.449 -6.025 -4.471) 9.893 7.728 ( 4.861 6.982 8.359) 11.927 8.143 ( 2.417 18.338 -2.675) 18.689 8.574 ( 9.409 1.294 -1.943) 9.694 9.551 ( -6.502 -7.429 -3.425) 10.449 9.918 ( -12.005 -8.091 -4.114) 15.050 10.100 ( -6.318 1.205 -0.475) 6.449 10.849 ( -7.333 -6.441 1.125) 9.825 11.460 ( 13.125 0.248 10.837) 17.022 11.643 ( -10.099 3.273 -12.288) 16.239 12.949 ( -0.261 -9.553 -7.224) 11.980 13.021 ( -8.627 -1.881 -0.800) 8.866 13.552 ( -13.450 4.747 9.501) 17.138 14.179 ( -8.235 -1.982 5.264) 9.972 14.718 ( 9.401 -21.532 14.238) 27.472 16.014 ( 8.572 12.735 0.568) 15.362 17.562 ( -12.461 -3.569 -17.256) 21.582 18.982 ( 4.205 11.414 6.595) 13.837 19.833 ( 7.427 1.909 -23.241) 24.474 20.483 ( -0.227 -1.481 1.948) 2.457 22.147 ( 2.540 -5.689 -5.103) 8.054 ======================= Grid point 18 (12/294) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 16.254 9.034 15.454) 24.180 2.912 ( 7.275 21.263 0.461) 22.478 3.670 ( -1.972 -0.320 0.996) 2.232 3.865 ( -4.424 -8.193 -4.529) 10.355 4.538 ( -14.425 -8.655 4.110) 17.318 4.652 ( -7.130 -7.659 -6.278) 12.203 5.508 ( 0.319 -2.128 0.078) 2.153 5.949 ( 16.059 2.940 10.514) 19.419 6.635 ( -7.767 -8.594 -6.088) 13.086 7.149 ( 25.220 20.836 7.360) 33.532 7.951 ( 5.870 8.394 7.981) 12.985 8.329 ( 0.096 19.555 -4.019) 19.964 8.745 ( 9.225 4.252 -0.613) 10.177 9.310 ( -9.892 -9.849 -1.526) 14.042 9.625 ( -10.786 -7.449 -3.423) 13.548 9.961 ( -11.289 -0.131 -0.937) 11.329 10.670 ( -7.305 -4.798 1.418) 8.854 11.425 ( -4.515 -1.683 -6.920) 8.433 11.749 ( 11.496 -4.226 5.594) 13.465 12.732 ( -3.195 -10.666 -8.959) 14.291 12.981 ( -2.468 4.358 -0.595) 5.044 13.470 ( -9.274 6.759 7.974) 13.974 13.984 ( -12.911 -6.691 7.380) 16.308 14.810 ( 12.432 -17.255 12.465) 24.651 16.282 ( 8.256 12.857 1.828) 15.388 17.227 ( -12.756 -1.120 -15.796) 20.335 19.177 ( 2.592 8.985 4.273) 10.281 19.807 ( 3.678 -0.137 -15.161) 15.602 20.507 ( 1.598 0.724 3.010) 3.484 22.094 ( 2.046 -6.646 -4.806) 8.453 ======================= Grid point 19 (13/294) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( 2.033 2.252 5.944) 6.673 3.125 ( 10.437 8.580 1.455) 13.589 3.581 ( -6.954 0.830 -0.388) 7.014 3.781 ( -0.232 0.414 -1.192) 1.283 4.267 ( -12.778 -2.130 3.121) 13.325 4.516 ( 1.574 -3.630 -1.589) 4.263 5.476 ( 0.927 -3.030 -2.132) 3.820 6.260 ( 7.743 1.124 8.618) 11.640 6.405 ( -1.699 -7.219 -5.949) 9.508 7.685 ( 14.725 9.920 5.098) 18.472 8.067 ( -4.479 1.765 -0.913) 4.900 8.445 ( -6.190 14.190 -2.900) 15.751 8.927 ( 4.436 7.267 -1.516) 8.648 9.118 ( 0.302 -4.198 5.392) 6.840 9.396 ( -9.171 -4.416 1.248) 10.255 9.759 ( -7.513 -1.375 -3.423) 8.370 10.574 ( -2.307 -0.188 1.572) 2.798 11.355 ( -0.300 -0.189 0.569) 0.671 11.831 ( 7.038 -14.529 -0.870) 16.168 12.586 ( 2.395 -6.963 -7.908) 10.805 12.973 ( -2.092 3.630 -1.390) 4.414 13.442 ( -7.254 1.771 8.047) 10.978 13.791 ( -7.562 0.940 0.690) 7.651 14.910 ( 9.338 -14.837 10.534) 20.452 16.513 ( 2.141 11.850 -2.649) 12.330 16.987 ( -5.826 2.280 -4.519) 7.718 19.249 ( -1.668 3.135 -3.464) 4.961 19.814 ( 3.730 1.873 -3.478) 5.433 20.580 ( 1.236 4.074 5.207) 6.726 22.039 ( 3.321 -7.243 -5.221) 9.527 ======================= Grid point 20 (14/294) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -13.778 -9.561 -5.426) 17.627 3.292 ( -13.928 -1.314 4.432) 14.675 3.496 ( 5.379 1.253 1.994) 5.872 3.916 ( 7.655 11.708 0.285) 13.992 4.138 ( -0.870 -1.679 1.140) 2.208 4.634 ( 8.959 6.546 2.652) 11.408 5.465 ( 2.883 -2.603 -3.018) 4.919 6.125 ( -6.703 -4.249 -10.832) 13.428 6.585 ( 11.198 0.882 9.653) 14.811 7.708 ( -27.846 -2.718 -4.612) 28.356 7.915 ( 2.306 -12.175 4.606) 13.220 8.260 ( -15.872 2.240 -6.859) 17.435 9.027 ( -4.723 5.635 4.704) 8.729 9.280 ( 6.049 11.130 1.971) 12.820 9.358 ( 9.257 1.464 5.324) 10.779 9.721 ( 4.488 1.109 -2.151) 5.099 10.601 ( 1.941 3.774 1.728) 4.582 11.419 ( 4.283 1.008 7.908) 9.049 11.694 ( 0.325 -21.089 -7.109) 22.257 12.585 ( 8.157 -3.204 -6.710) 11.037 12.983 ( 0.277 2.996 0.562) 3.061 13.332 ( -7.944 -5.768 8.494) 12.982 13.796 ( 2.293 11.761 -9.173) 15.091 14.956 ( 6.079 -13.871 7.868) 17.067 16.446 ( -12.540 8.541 -12.751) 19.819 17.113 ( 8.669 6.804 12.114) 16.376 19.165 ( -4.711 -0.697 -7.312) 8.726 19.910 ( 4.465 2.494 4.013) 6.500 20.672 ( -1.701 6.987 7.139) 10.133 22.012 ( 5.896 -7.245 -5.639) 10.912 ======================= Grid point 21 (15/294) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -18.216 -12.911 -7.056) 23.416 2.926 ( -27.599 -1.077 3.559) 27.848 3.606 ( 5.146 -0.767 0.316) 5.213 4.152 ( 6.170 8.489 7.989) 13.190 4.264 ( 15.985 0.863 -5.887) 17.056 4.886 ( 7.708 9.933 2.117) 12.750 5.474 ( 2.626 -2.282 -3.661) 5.051 5.924 ( -6.456 -1.604 -9.970) 11.986 6.788 ( 1.729 -0.753 5.642) 5.949 6.996 ( -33.419 -13.876 -4.770) 36.498 7.765 ( -7.645 -11.891 1.681) 14.237 8.039 ( -10.524 0.664 -0.547) 10.559 8.965 ( -9.057 7.308 0.681) 11.657 9.535 ( 8.927 8.513 2.591) 12.605 9.631 ( 12.266 5.797 6.496) 15.041 9.848 ( 9.561 1.104 0.113) 9.625 10.715 ( 4.820 6.410 -0.157) 8.022 11.377 ( -5.376 -25.366 -5.099) 26.426 11.604 ( 7.641 3.737 9.651) 12.865 12.687 ( 10.020 0.106 -6.334) 11.855 13.062 ( 4.603 3.138 4.303) 7.039 13.231 ( -2.627 -3.885 4.010) 6.170 13.927 ( 6.915 11.732 -12.188) 18.276 14.946 ( 4.078 -13.366 4.578) 14.705 16.217 ( -15.401 8.026 -10.384) 20.234 17.418 ( 10.247 6.328 12.835) 17.600 19.022 ( -6.538 -1.334 -5.313) 8.530 20.044 ( 5.271 1.634 6.895) 8.831 20.715 ( -6.233 6.370 6.001) 10.745 22.035 ( 8.296 -5.732 -4.775) 11.157 ======================= Grid point 22 (16/294) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -21.948 -13.291 -7.936) 26.858 2.436 ( -33.429 -0.538 3.627) 33.629 3.709 ( 7.369 1.204 0.936) 7.525 4.357 ( 0.769 8.743 -0.431) 8.787 4.495 ( 17.732 -10.143 -1.136) 20.459 4.948 ( -12.149 3.651 -5.295) 13.746 5.444 ( -2.136 2.749 1.957) 3.993 5.801 ( -1.683 1.338 -4.884) 5.336 6.222 ( -22.935 -9.927 -7.345) 26.048 6.973 ( 6.453 -3.762 5.056) 9.020 7.548 ( -7.116 -8.437 2.727) 11.369 7.890 ( -9.359 2.306 0.869) 9.678 8.885 ( -9.383 7.586 -2.408) 12.304 9.736 ( 7.114 4.007 0.209) 8.167 9.845 ( 4.189 -0.295 7.058) 8.213 10.076 ( 13.834 4.568 0.115) 14.569 10.854 ( 4.659 6.117 -3.394) 8.405 11.029 ( -5.246 -20.143 0.193) 20.816 11.843 ( 8.591 2.070 13.359) 16.017 12.842 ( 10.511 6.786 -6.133) 13.934 13.189 ( 1.480 -3.446 4.308) 5.711 13.274 ( 10.985 2.683 3.067) 11.717 14.076 ( 7.004 8.401 -9.842) 14.714 14.899 ( 3.808 -12.568 -0.079) 13.132 15.978 ( -15.952 7.241 -7.310) 18.983 17.710 ( 10.298 5.402 9.831) 15.228 18.866 ( -8.111 -1.852 -1.542) 8.462 20.193 ( 4.920 1.200 9.354) 10.637 20.652 ( -8.662 2.613 0.497) 9.061 22.112 ( 8.282 -3.108 -2.167) 9.108 ======================= Grid point 23 (17/294) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -25.240 -10.380 -6.972) 28.168 1.875 ( -36.994 0.229 4.174) 37.229 3.755 ( -41.554 -9.463 -9.384) 43.639 3.913 ( -5.115 -1.835 0.144) 5.436 4.715 ( 14.208 -3.733 11.069) 18.394 4.914 ( 8.402 9.501 -11.395) 17.050 5.562 ( 4.458 7.085 7.834) 11.465 5.754 ( 0.807 -5.879 -8.602) 10.450 5.956 ( -2.051 -1.276 -5.149) 5.688 7.020 ( -0.493 -3.587 4.561) 5.823 7.436 ( -0.597 -5.574 4.971) 7.492 7.793 ( -8.258 6.713 0.613) 10.660 8.745 ( -9.928 2.373 -8.200) 13.093 9.837 ( 3.957 0.029 -4.055) 5.666 9.897 ( -0.559 -1.432 7.212) 7.374 10.253 ( 2.272 -1.520 1.732) 3.236 10.861 ( 4.849 -2.202 2.599) 5.926 11.018 ( 6.498 0.996 0.731) 6.615 12.066 ( 7.314 0.767 11.444) 13.603 13.106 ( 12.323 15.560 -5.896) 20.706 13.198 ( 5.926 -8.758 1.436) 10.672 13.532 ( 12.032 1.712 6.997) 14.024 14.174 ( 1.877 3.824 -3.049) 5.239 14.846 ( 5.971 -10.733 -6.082) 13.705 15.746 ( -15.162 5.934 -5.233) 17.102 17.984 ( 10.427 6.334 6.185) 13.679 18.700 ( -8.580 -4.140 1.738) 9.684 20.302 ( -3.106 0.108 11.602) 12.011 20.531 ( -1.752 0.067 -7.447) 7.651 22.208 ( 5.950 -0.996 0.874) 6.096 ======================= Grid point 24 (18/294) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -27.175 0.376 -0.441) 27.181 1.282 ( -38.424 -0.617 4.588) 38.702 2.570 ( -73.392 -0.005 -2.754) 73.443 4.031 ( 6.819 0.023 -0.002) 6.819 4.972 ( 14.504 -4.982 4.996) 16.129 5.086 ( 9.295 7.408 -9.532) 15.236 5.648 ( 0.943 -4.736 -4.196) 6.398 5.768 ( 5.984 2.127 3.573) 7.287 5.931 ( 1.465 -0.412 1.371) 2.048 6.948 ( -7.286 -0.776 2.009) 7.597 7.475 ( 4.731 -1.757 5.480) 7.449 7.734 ( -7.581 4.839 1.493) 9.117 8.523 ( -8.028 -1.884 -11.470) 14.127 9.844 ( 1.381 -0.751 -3.101) 3.477 9.903 ( -2.251 0.032 4.564) 5.089 10.216 ( -6.451 0.562 7.462) 9.880 11.038 ( 11.902 -0.106 1.844) 12.045 11.132 ( 5.775 0.227 0.116) 5.780 12.205 ( 3.171 -0.370 1.957) 3.744 13.252 ( 11.733 -7.580 0.284) 13.972 13.442 ( 11.372 12.617 0.520) 16.993 13.742 ( 8.636 -2.565 3.984) 9.851 14.158 ( -5.319 -0.113 0.522) 5.346 14.843 ( 8.402 -5.525 -5.384) 11.407 15.534 ( -12.639 3.711 -3.890) 13.735 18.238 ( 8.975 7.525 0.843) 11.743 18.532 ( -6.786 -7.458 4.009) 10.851 20.185 ( -9.600 -0.486 -5.818) 11.236 20.564 ( 5.314 -0.062 -0.606) 5.349 22.291 ( 3.374 0.457 1.020) 3.554 ======================= Grid point 26 (19/294) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -3.557 31.025 12.584) 33.668 1.423 ( -7.991 24.315 28.526) 38.325 2.759 ( -42.581 54.694 18.680) 71.788 3.980 ( 3.299 -5.430 -4.504) 7.788 4.798 ( 5.669 -13.283 -12.610) 19.173 5.233 ( 2.281 -3.653 2.866) 5.173 5.637 ( 12.204 -0.524 -4.273) 12.941 5.950 ( 2.305 -6.968 19.715) 21.037 6.022 ( -2.809 -12.108 12.198) 17.415 6.870 ( -2.720 5.467 -6.435) 8.871 7.404 ( 3.469 -3.441 -2.148) 5.338 7.736 ( 0.427 7.734 1.685) 7.926 8.747 ( -4.321 7.783 12.687) 15.498 9.762 ( -11.311 -5.028 -8.178) 14.836 9.886 ( 1.227 5.948 -4.802) 7.742 10.072 ( -3.069 0.826 -3.161) 4.482 11.004 ( 6.385 -12.124 -1.841) 13.825 11.129 ( 3.409 -4.873 -0.744) 5.993 12.105 ( 13.910 3.278 -8.402) 16.578 13.108 ( -10.497 -13.795 -14.536) 22.623 13.494 ( 10.813 -4.256 5.163) 12.716 13.655 ( 8.828 -2.752 -3.788) 9.993 14.170 ( -1.957 6.161 2.325) 6.870 15.021 ( -3.020 -13.266 12.189) 18.267 15.665 ( -0.744 16.223 10.679) 19.437 18.106 ( 13.919 -0.104 -12.683) 18.831 18.474 ( -12.014 -1.027 -3.234) 12.484 19.861 ( -12.072 25.118 -33.012) 43.202 20.588 ( 1.302 -1.546 -1.363) 2.438 22.121 ( -6.124 -0.604 -11.212) 12.790 ======================= Grid point 27 (20/294) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 3.634 32.315 16.983) 36.686 1.796 ( 4.560 22.387 31.260) 38.719 2.991 ( -5.983 57.845 15.041) 60.067 3.933 ( 0.863 -5.802 -3.407) 6.783 4.628 ( -0.412 -12.459 -14.286) 18.960 5.127 ( -7.829 -5.382 -2.350) 9.787 5.740 ( 0.077 -5.066 -2.114) 5.490 5.883 ( -0.257 -5.023 5.328) 7.327 6.023 ( 1.008 -16.404 22.176) 27.603 6.935 ( 5.182 7.630 -4.145) 10.112 7.569 ( 15.897 -0.664 1.485) 15.980 7.784 ( -6.143 6.645 5.107) 10.392 8.575 ( -20.196 5.371 1.345) 20.941 9.658 ( 3.588 1.689 -7.812) 8.761 10.000 ( 8.067 4.669 -2.573) 9.670 10.133 ( 5.361 1.384 3.133) 6.362 10.932 ( 1.706 -13.394 -1.590) 13.596 11.119 ( 2.020 -4.176 -1.657) 4.926 12.324 ( 5.352 2.374 -2.169) 6.244 12.795 ( 1.504 -11.256 -15.048) 18.852 13.436 ( -5.100 -9.995 2.087) 11.413 13.777 ( 5.428 -5.067 0.712) 7.459 14.272 ( 3.299 8.276 1.233) 8.994 14.914 ( -3.100 -11.853 12.079) 17.204 15.767 ( -11.689 14.435 11.851) 22.033 18.126 ( -8.643 -7.037 -11.492) 16.009 18.449 ( 18.435 5.083 -2.999) 19.356 19.727 ( -10.847 30.183 -35.380) 47.754 20.571 ( -0.435 -1.862 -1.039) 2.176 22.001 ( 1.035 -2.243 -9.088) 9.418 ======================= Grid point 28 (21/294) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -1.509 23.566 28.170) 36.758 2.266 ( 4.983 27.614 16.142) 32.371 3.632 ( 13.036 20.219 4.012) 24.390 3.924 ( 5.399 6.087 3.000) 8.672 4.446 ( 1.852 -1.440 -12.627) 12.843 4.916 ( -7.210 -7.398 -3.799) 11.006 5.576 ( -11.042 -1.119 1.085) 11.151 5.855 ( -0.445 -14.962 4.610) 15.663 6.099 ( 7.133 1.783 13.258) 15.161 7.039 ( 0.810 3.101 -2.447) 4.032 7.738 ( -7.899 3.568 10.086) 13.299 7.856 ( 15.559 1.905 2.294) 15.842 8.431 ( -4.342 11.327 -7.347) 14.182 9.661 ( -0.047 -0.382 -5.099) 5.114 10.111 ( 4.132 -5.786 -6.116) 9.379 10.220 ( -1.317 2.450 8.057) 8.524 10.862 ( 5.006 -8.426 -1.633) 9.936 11.124 ( 4.622 -4.132 2.275) 6.604 12.177 ( -17.809 3.943 -8.613) 20.172 12.775 ( 13.742 -17.573 -5.491) 22.974 13.264 ( -6.184 -6.349 0.084) 8.863 13.787 ( 2.805 -8.112 6.660) 10.864 14.348 ( -5.231 5.985 5.935) 9.920 14.811 ( -8.119 -6.487 8.141) 13.201 15.812 ( -3.510 12.359 9.211) 15.809 17.843 ( -6.240 -10.317 -11.783) 16.859 18.797 ( 14.140 8.914 1.216) 16.760 19.654 ( -3.997 23.883 -33.977) 41.723 20.532 ( -1.635 -2.052 0.740) 2.726 21.974 ( 5.872 -6.707 -7.592) 11.709 ======================= Grid point 29 (22/294) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 0.282 19.606 26.476) 32.946 2.683 ( 5.732 25.939 8.103) 27.773 3.699 ( -0.583 -2.978 -0.001) 3.035 3.990 ( -0.944 -8.841 -5.629) 10.523 4.670 ( 5.505 -5.278 -9.961) 12.545 4.768 ( 6.096 2.473 5.617) 8.650 5.452 ( -6.937 10.459 2.595) 12.816 5.724 ( -1.760 -10.145 3.630) 10.918 6.429 ( 16.363 12.795 9.228) 22.729 6.945 ( -8.784 -4.751 -0.565) 10.003 7.795 ( 1.429 8.018 9.157) 12.255 8.141 ( 12.851 6.455 1.623) 14.472 8.507 ( 3.189 12.573 -6.024) 14.302 9.580 ( -5.091 -2.767 -3.683) 6.866 9.924 ( -6.576 -12.858 -8.095) 16.556 10.251 ( -5.626 4.747 5.985) 9.487 10.849 ( 0.698 -6.715 -0.686) 6.786 11.247 ( 12.861 -6.947 4.125) 15.188 11.840 ( -17.526 1.467 -9.500) 19.990 12.740 ( 5.413 -17.915 -4.082) 19.155 13.127 ( -5.701 -0.464 -0.364) 5.731 13.796 ( -1.675 -6.369 12.633) 14.247 14.348 ( -5.476 7.099 6.639) 11.156 14.608 ( -11.472 -11.004 9.980) 18.770 15.998 ( 6.561 10.519 4.717) 13.265 17.577 ( -6.915 -7.113 -13.788) 16.986 19.088 ( 6.030 13.338 5.531) 15.647 19.628 ( 2.758 12.547 -30.002) 32.637 20.502 ( -1.100 -0.823 2.697) 3.026 21.952 ( 6.199 -9.928 -7.326) 13.808 ======================= Grid point 30 (23/294) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 3.404 14.276 21.238) 25.816 3.030 ( 4.889 22.372 1.255) 22.934 3.694 ( 0.215 0.206 2.806) 2.822 3.830 ( -3.354 -7.713 -3.613) 9.154 4.502 ( -1.598 -11.031 -6.983) 13.153 4.761 ( -8.715 -7.324 1.458) 11.477 5.482 ( -1.272 -4.473 -0.438) 4.670 5.808 ( 11.492 6.092 8.201) 15.376 6.639 ( -6.769 -9.648 -6.431) 13.426 7.039 ( 18.406 21.514 10.076) 30.052 8.001 ( 5.250 10.301 7.308) 13.678 8.419 ( 8.950 13.011 0.050) 15.792 8.674 ( 5.726 11.394 -1.864) 12.887 9.393 ( -10.171 -5.675 -1.638) 11.762 9.646 ( -6.618 -10.403 -7.707) 14.540 10.176 ( -11.766 2.994 2.753) 12.449 10.742 ( -5.400 -6.366 1.591) 8.498 11.380 ( 9.577 -8.746 -2.394) 13.189 11.580 ( -5.883 -4.828 -2.861) 8.130 12.574 ( 0.001 -16.868 -6.885) 18.219 13.074 ( -3.433 3.764 0.016) 5.094 13.749 ( -8.635 -1.403 13.736) 16.285 14.250 ( -19.073 6.325 -0.399) 20.098 14.524 ( 9.787 -17.495 17.923) 26.890 16.256 ( 9.689 10.419 2.707) 14.484 17.320 ( -9.396 -0.778 -13.280) 16.287 19.293 ( -1.089 13.759 1.632) 13.898 19.632 ( 7.149 4.489 -18.683) 20.502 20.527 ( 1.054 2.073 4.663) 5.210 21.899 ( 5.491 -11.814 -7.797) 15.183 ======================= Grid point 31 (24/294) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 6.036 4.917 13.492) 15.576 3.241 ( -3.555 14.512 -1.997) 15.074 3.661 ( -1.365 1.846 1.472) 2.727 3.788 ( -0.497 0.374 0.677) 0.920 4.388 ( 2.360 -6.005 -1.029) 6.534 4.511 ( -12.873 -4.401 0.019) 13.605 5.395 ( 0.648 -7.205 -3.771) 8.158 6.134 ( 14.458 2.270 10.201) 17.840 6.366 ( -7.849 -10.314 -7.169) 14.811 7.564 ( 15.585 12.694 5.829) 20.928 8.175 ( -0.681 9.841 -1.469) 9.973 8.660 ( -0.039 17.335 1.244) 17.380 8.890 ( 8.497 10.365 1.036) 13.443 9.163 ( -8.711 -6.102 2.278) 10.877 9.447 ( -2.900 -6.182 -3.017) 7.466 9.948 ( -17.295 0.426 -1.059) 17.333 10.628 ( -3.484 -2.208 1.997) 4.583 11.377 ( -0.413 0.362 -1.528) 1.624 11.492 ( 8.284 -22.574 0.030) 24.046 12.398 ( 2.635 -11.954 -8.898) 15.133 13.052 ( -3.645 4.137 -1.480) 5.709 13.661 ( -10.109 -2.248 12.215) 16.014 13.995 ( -14.668 4.681 -1.983) 15.524 14.648 ( 10.823 -16.763 15.019) 24.974 16.530 ( 8.577 11.210 0.277) 14.118 17.119 ( -8.869 5.504 -7.043) 12.592 19.301 ( -4.356 5.730 -10.518) 12.745 19.746 ( 6.542 4.979 -0.320) 8.228 20.637 ( 2.923 6.593 6.852) 9.948 21.821 ( 5.739 -13.044 -8.893) 16.798 ======================= Grid point 32 (25/294) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( -12.924 -6.961 -2.105) 14.829 3.326 ( 4.363 5.042 7.210) 9.821 3.641 ( -11.484 0.323 2.242) 11.706 3.875 ( 9.146 11.949 -2.851) 15.315 4.249 ( -11.811 -3.764 2.874) 12.725 4.535 ( 11.530 4.873 2.731) 12.812 5.339 ( 3.843 -6.649 -5.017) 9.173 6.117 ( -6.296 -7.601 -8.459) 12.999 6.425 ( 13.296 -1.191 7.848) 15.485 7.794 ( 3.798 -7.080 4.459) 9.189 8.111 ( -16.799 11.554 -4.987) 20.990 8.555 ( -20.260 3.004 -4.612) 20.994 9.144 ( 5.390 11.448 5.738) 13.894 9.219 ( 11.387 3.875 8.058) 14.478 9.384 ( -3.439 0.671 2.288) 4.185 9.707 ( -6.966 2.410 -5.498) 9.196 10.621 ( 1.109 1.814 2.018) 2.931 11.363 ( 5.877 -27.999 -1.593) 28.654 11.407 ( 3.156 0.116 3.440) 4.669 12.356 ( 8.480 -4.561 -8.927) 13.130 13.024 ( -2.297 3.374 -2.108) 4.594 13.504 ( -11.599 -6.329 10.986) 17.184 13.877 ( -5.300 10.066 -7.175) 13.450 14.719 ( 8.561 -18.706 11.531) 23.584 16.643 ( -6.000 11.991 -11.728) 17.814 17.143 ( 3.793 9.084 8.874) 13.253 19.192 ( -4.316 1.166 -10.001) 10.954 19.889 ( 4.089 3.124 5.130) 7.266 20.806 ( 1.137 9.939 8.100) 12.872 21.749 ( 8.207 -12.947 -9.863) 18.228 ======================= Grid point 33 (26/294) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -19.260 -7.927 -2.644) 20.994 3.343 ( -16.926 1.590 4.372) 17.553 3.526 ( 2.157 -0.066 1.363) 2.552 4.061 ( 4.287 0.152 -7.281) 8.450 4.177 ( 4.475 5.244 8.294) 10.785 4.835 ( 11.951 10.497 1.588) 15.986 5.334 ( 5.880 -5.505 -4.346) 9.152 5.916 ( -4.526 -5.017 -8.454) 10.822 6.636 ( 11.631 -4.657 3.978) 13.145 7.510 ( -31.459 -9.358 -3.801) 33.041 7.838 ( -14.966 -3.328 6.074) 16.491 8.295 ( -13.877 7.220 -1.455) 15.711 9.203 ( -10.098 8.719 -0.425) 13.348 9.439 ( 8.806 -0.736 4.741) 10.028 9.552 ( 12.255 11.106 4.819) 17.227 9.724 ( 6.081 1.066 -0.523) 6.196 10.706 ( 3.905 4.524 0.325) 5.985 11.150 ( 0.976 -24.314 -2.021) 24.418 11.530 ( 8.662 -1.990 7.326) 11.518 12.474 ( 11.935 2.938 -6.766) 14.031 13.032 ( 1.992 1.931 -1.304) 3.066 13.335 ( -8.966 -4.558 8.086) 12.905 13.897 ( 1.444 10.571 -9.625) 14.369 14.716 ( 6.589 -20.297 7.873) 22.745 16.504 ( -13.955 12.424 -12.547) 22.506 17.408 ( 8.222 9.218 9.689) 15.699 19.077 ( -4.613 -1.012 -4.067) 6.232 20.010 ( 4.426 1.240 6.240) 7.750 20.896 ( -4.921 5.420 3.645) 8.178 21.762 ( 12.241 -7.409 -7.041) 15.947 ======================= Grid point 34 (27/294) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -23.131 -6.184 -2.065) 24.032 2.990 ( -29.256 2.510 3.191) 29.537 3.601 ( 6.058 -0.360 0.807) 6.122 4.133 ( 13.232 -7.724 -3.474) 15.711 4.385 ( 6.365 7.442 4.005) 10.580 5.056 ( 2.588 8.397 -5.360) 10.292 5.378 ( 6.768 -3.330 -0.682) 7.574 5.775 ( -2.181 -3.804 -6.568) 7.897 6.727 ( -32.141 -6.278 2.318) 32.830 6.804 ( -1.934 -4.616 -0.366) 5.018 7.646 ( -8.939 -4.896 5.963) 11.808 8.152 ( -13.467 8.754 2.051) 16.193 9.087 ( -10.733 5.654 -5.687) 13.398 9.597 ( 9.840 -2.495 0.223) 10.154 9.825 ( 5.661 -1.035 8.199) 10.017 9.889 ( 13.439 6.341 -1.006) 14.894 10.807 ( 5.893 -2.095 -0.430) 6.269 10.964 ( -4.280 -6.626 3.989) 8.840 11.724 ( 12.380 -4.192 7.355) 14.998 12.705 ( 12.267 10.540 -4.455) 16.776 13.128 ( 8.598 -0.185 0.452) 8.612 13.222 ( -5.091 -2.759 4.947) 7.616 14.002 ( 5.648 10.205 -8.262) 14.294 14.650 ( 5.510 -21.539 3.615) 22.525 16.295 ( -16.536 11.013 -9.962) 22.225 17.674 ( 8.397 9.245 4.226) 13.184 18.961 ( -6.460 -4.293 2.688) 8.208 20.146 ( 6.390 0.944 6.554) 9.202 20.784 ( -8.357 -2.835 -5.899) 10.615 21.913 ( 11.913 0.211 -1.274) 11.982 ======================= Grid point 35 (28/294) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -25.718 -0.685 0.254) 25.729 2.494 ( -34.539 0.702 2.411) 34.630 3.727 ( 8.405 -0.179 -0.101) 8.408 4.201 ( -0.263 -6.136 -5.742) 8.407 4.553 ( 4.245 2.461 6.964) 8.519 5.002 ( -10.565 10.615 -7.862) 16.915 5.465 ( 8.026 -8.500 0.479) 11.700 5.665 ( -1.817 -2.670 -6.079) 6.883 6.140 ( -23.072 1.981 4.643) 23.618 6.923 ( 8.868 -3.927 3.181) 10.207 7.518 ( -7.182 -0.734 5.099) 8.839 8.049 ( -11.514 9.288 2.883) 15.071 8.858 ( -12.038 -3.238 -11.051) 16.658 9.708 ( 7.597 -2.719 -2.566) 8.467 9.924 ( 2.764 -2.035 8.018) 8.722 10.142 ( 11.585 2.603 -1.195) 11.934 10.844 ( 3.728 -8.297 10.375) 13.798 10.965 ( -1.345 9.168 0.388) 9.275 11.926 ( 12.640 -4.711 4.484) 14.215 13.019 ( 13.268 15.478 -3.164) 20.630 13.109 ( -2.127 -6.295 0.047) 6.645 13.351 ( 12.894 -1.375 5.321) 14.016 14.161 ( 4.895 10.075 -2.729) 11.529 14.550 ( 7.102 -20.148 -1.586) 21.422 16.053 ( -17.345 7.756 -7.401) 20.391 17.918 ( 9.608 9.554 -1.991) 13.695 18.803 ( -8.694 -8.990 7.517) 14.592 20.311 ( 7.097 1.104 6.636) 9.779 20.538 ( -8.600 -4.723 -14.438) 17.456 22.102 ( 8.378 2.771 1.656) 8.978 ======================= Grid point 36 (29/294) ======================= q-point: (-0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -24.918 9.608 6.897) 27.582 1.910 ( -37.110 -1.250 1.403) 37.158 3.693 ( -39.992 10.357 2.068) 41.363 3.921 ( -2.364 0.898 0.698) 2.623 4.697 ( 10.945 -2.688 -0.150) 11.271 5.005 ( 3.842 6.169 -3.079) 7.893 5.431 ( 8.190 -11.946 -9.047) 17.077 5.722 ( 6.179 2.234 4.950) 8.226 6.001 ( -5.848 2.205 7.630) 9.863 7.008 ( 1.202 -0.677 0.964) 1.683 7.477 ( -1.419 1.973 4.613) 5.214 7.938 ( -12.368 1.170 1.468) 12.509 8.575 ( -8.005 -0.599 -10.256) 13.024 9.774 ( 4.668 -0.292 -3.612) 5.910 9.964 ( -1.031 -1.553 6.162) 6.437 10.296 ( 5.220 0.196 1.898) 5.558 10.930 ( 3.573 -2.848 12.436) 13.249 11.035 ( 3.088 2.744 -2.463) 4.810 12.073 ( 8.590 -4.178 -5.010) 10.786 13.049 ( 4.543 -7.237 1.400) 8.659 13.356 ( 12.883 9.800 -1.095) 16.224 13.542 ( 10.180 -7.785 2.663) 13.089 14.217 ( -2.592 -1.930 -1.495) 3.560 14.613 ( 13.781 1.480 2.552) 14.093 15.788 ( -16.377 3.255 -4.842) 17.385 18.114 ( 9.368 2.058 -9.521) 13.515 18.626 ( -8.229 -6.280 10.196) 14.530 20.266 ( -8.941 1.297 -19.872) 21.829 20.466 ( 6.555 -0.137 4.108) 7.737 22.241 ( 4.485 1.782 0.748) 4.884 ======================= Grid point 38 (30/294) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -15.942 20.245 12.614) 28.690 1.956 ( -10.725 25.283 18.315) 33.010 3.814 ( 3.050 -3.696 -3.038) 5.674 4.053 ( -39.554 35.502 16.212) 55.567 4.489 ( 6.288 -12.226 -13.363) 19.173 5.114 ( 11.171 -5.502 9.647) 15.752 5.402 ( 8.988 3.415 -9.160) 13.279 5.947 ( 4.712 -5.826 11.799) 13.977 6.098 ( -8.193 -2.553 9.799) 13.025 6.900 ( -3.408 -1.509 -8.482) 9.265 7.391 ( -5.982 -2.335 0.219) 6.425 7.806 ( 1.310 8.417 2.073) 8.767 8.875 ( 6.106 12.915 6.124) 15.543 9.797 ( -1.135 -1.960 -3.604) 4.257 9.893 ( 2.715 -3.861 1.932) 5.100 10.149 ( -10.553 -5.275 -9.552) 15.180 10.810 ( -3.943 -11.799 -2.785) 12.749 11.020 ( 4.960 -3.768 0.302) 6.236 11.857 ( 10.153 -0.198 -10.470) 14.586 13.017 ( -1.953 -12.395 -9.587) 15.791 13.296 ( 13.215 0.758 5.692) 14.409 13.459 ( 6.870 -8.496 0.036) 10.926 14.260 ( -0.746 2.171 5.032) 5.531 14.996 ( -1.442 -14.251 10.859) 17.975 15.902 ( 1.465 21.230 12.069) 24.465 17.798 ( 12.207 -2.855 -13.278) 18.261 18.666 ( -12.583 1.799 -2.912) 13.041 20.006 ( -3.760 11.989 -20.674) 24.193 20.562 ( 0.569 2.876 -2.809) 4.060 22.131 ( -4.586 -5.398 -5.692) 9.086 ======================= Grid point 39 (31/294) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 5.994 31.702 14.183) 35.243 2.191 ( -4.459 22.225 24.389) 33.297 3.773 ( -6.299 2.729 0.156) 6.867 3.908 ( -17.676 21.640 7.139) 28.839 4.434 ( 2.581 -3.460 -7.828) 8.939 5.171 ( -3.508 -3.466 -1.968) 5.309 5.540 ( 11.205 -2.984 -0.915) 11.632 5.942 ( -6.890 -7.050 4.390) 10.791 6.015 ( -0.478 -8.101 17.189) 19.008 6.858 ( 5.356 0.829 -6.464) 8.435 7.406 ( 5.609 4.088 1.111) 7.029 7.934 ( 0.395 10.454 2.110) 10.672 8.985 ( -16.852 2.368 9.326) 19.405 9.593 ( -2.913 -0.834 -9.001) 9.497 9.915 ( 1.259 3.843 -9.886) 10.681 10.053 ( 8.387 -1.910 4.758) 9.830 10.728 ( 5.450 -13.812 -1.836) 14.961 11.042 ( 2.140 -1.916 -2.453) 3.777 12.031 ( 17.389 -3.241 -4.946) 18.367 12.760 ( -8.814 -6.471 -11.793) 16.082 13.407 ( -0.685 -10.168 4.445) 11.118 13.583 ( 12.836 -2.943 0.496) 13.179 14.274 ( 1.194 1.683 1.625) 2.626 14.915 ( -0.919 -12.762 15.158) 19.836 16.176 ( -5.736 19.459 16.670) 26.257 17.984 ( 15.279 3.842 -16.222) 22.613 18.374 ( -12.894 -3.891 -3.625) 13.948 19.933 ( -6.115 16.532 -23.002) 28.979 20.569 ( -0.814 2.809 -3.036) 4.215 21.951 ( -4.639 -6.288 -6.735) 10.316 ======================= Grid point 40 (32/294) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 3.466 30.379 15.045) 34.077 2.512 ( 4.017 17.673 23.394) 29.593 3.702 ( -2.837 -0.411 -0.629) 2.935 3.919 ( 0.799 1.043 -2.274) 2.626 4.438 ( -2.206 13.080 -0.971) 13.301 4.975 ( -9.730 -5.788 -5.005) 12.379 5.663 ( 5.639 -2.629 1.986) 6.531 5.770 ( -8.395 -4.436 2.625) 9.852 6.092 ( 4.805 -1.406 14.134) 14.995 6.958 ( 7.913 -0.830 -4.111) 8.956 7.628 ( 13.398 4.631 3.409) 14.580 8.006 ( -6.885 9.417 5.304) 12.815 8.650 ( -17.705 3.897 -3.597) 18.482 9.611 ( 2.883 0.918 -5.059) 5.895 9.955 ( 5.007 -2.370 -6.051) 8.204 10.240 ( 8.142 0.294 9.390) 12.431 10.666 ( 4.771 -12.292 -1.043) 13.227 11.036 ( 1.611 -1.085 -4.040) 4.483 12.243 ( 14.539 -8.482 -1.922) 16.942 12.470 ( -9.792 -6.096 -11.029) 15.959 13.293 ( -3.956 -6.938 1.862) 8.201 13.666 ( 4.737 -8.047 2.420) 9.646 14.391 ( 6.322 0.432 5.933) 8.681 14.898 ( -1.336 -4.080 10.468) 11.314 16.255 ( -17.946 17.523 18.243) 31.015 17.813 ( -11.187 -8.291 -15.361) 20.733 18.528 ( 22.659 6.563 -3.157) 23.801 19.829 ( -9.107 18.673 -25.810) 33.133 20.554 ( -1.908 1.723 -1.034) 2.772 21.806 ( 0.342 -8.341 -6.220) 10.411 ======================= Grid point 41 (33/294) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -1.288 17.510 22.643) 28.652 2.894 ( 3.222 23.207 10.280) 25.585 3.670 ( 0.782 -2.290 0.400) 2.452 3.863 ( 1.518 -8.811 -6.835) 11.254 4.554 ( 0.715 3.150 -5.504) 6.382 4.774 ( -3.147 -3.323 1.932) 4.968 5.595 ( -2.940 -12.050 0.733) 12.425 5.729 ( -4.632 9.784 4.734) 11.814 6.364 ( 12.710 13.631 7.993) 20.279 6.975 ( -0.262 -6.264 -1.598) 6.470 7.934 ( 9.042 6.074 7.934) 13.476 7.991 ( -0.544 7.781 3.548) 8.569 8.566 ( 0.288 11.596 -6.531) 13.312 9.597 ( -1.125 -0.435 -4.773) 4.923 9.856 ( -5.111 -10.447 -6.005) 13.089 10.390 ( 0.767 1.515 10.405) 10.542 10.677 ( 8.969 -9.906 -1.061) 13.405 11.037 ( 4.416 -3.830 -3.982) 7.073 12.071 ( -16.771 -1.687 -11.198) 20.236 12.406 ( 11.584 -18.388 1.416) 21.778 13.194 ( -3.716 -1.291 -0.253) 3.942 13.695 ( 6.498 -9.145 6.435) 12.933 14.478 ( -1.154 -6.006 16.384) 17.488 14.880 ( -8.749 8.147 -1.074) 12.003 16.206 ( -15.096 12.860 15.715) 25.302 17.518 ( -4.807 -7.641 -11.897) 14.934 18.964 ( 21.938 8.183 -1.157) 23.443 19.683 ( -9.582 16.540 -26.232) 32.458 20.537 ( -1.673 1.442 1.315) 2.571 21.717 ( 4.031 -11.027 -6.411) 13.377 ======================= Grid point 42 (34/294) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -1.895 10.107 16.936) 19.813 3.191 ( 1.981 22.038 5.194) 22.729 3.701 ( 2.201 0.998 3.858) 4.552 3.776 ( 0.299 -5.571 -2.600) 6.155 4.401 ( -4.365 -7.597 -9.733) 13.096 4.779 ( -0.429 -5.750 3.662) 6.830 5.436 ( -2.429 -11.682 -1.665) 12.048 5.817 ( 1.360 8.280 7.476) 11.239 6.599 ( -2.484 -4.349 -7.147) 8.727 7.047 ( 11.889 16.932 8.929) 22.534 8.053 ( 2.760 7.764 4.294) 9.292 8.309 ( 15.689 8.582 5.110) 18.599 8.720 ( 4.999 15.460 -3.210) 16.562 9.500 ( -7.612 -2.019 -2.357) 8.221 9.589 ( -6.596 -11.688 -8.020) 15.634 10.404 ( -7.943 2.633 7.105) 10.977 10.696 ( 4.201 -10.304 0.417) 11.135 11.053 ( 8.809 -11.317 -4.793) 15.121 11.731 ( -14.742 -0.257 -7.758) 16.661 12.346 ( 3.209 -19.677 -0.833) 19.954 13.150 ( -2.242 2.028 0.153) 3.027 13.767 ( 6.043 -8.916 8.128) 13.494 14.450 ( -4.456 -13.441 19.133) 23.803 14.726 ( -20.780 17.156 -3.403) 27.161 16.261 ( 0.855 7.918 9.875) 12.686 17.350 ( -3.709 -1.283 -8.299) 9.180 19.369 ( 17.295 8.351 0.927) 19.228 19.519 ( -8.570 11.776 -22.288) 26.625 20.560 ( 0.717 3.087 3.391) 4.642 21.637 ( 4.948 -13.195 -7.419) 15.926 ======================= Grid point 43 (35/294) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( -1.458 1.983 8.145) 8.509 3.447 ( 0.017 19.235 3.716) 19.591 3.696 ( -2.186 -0.837 1.442) 2.749 3.816 ( 1.516 4.126 4.001) 5.944 4.254 ( 2.408 -6.547 -4.454) 8.276 4.659 ( -8.772 -4.685 1.075) 10.003 5.280 ( -0.547 -11.300 -4.477) 12.167 6.012 ( 8.964 2.532 8.491) 12.604 6.356 ( -7.796 -9.894 -7.094) 14.457 7.507 ( 12.303 16.485 5.303) 21.242 8.208 ( 5.668 7.007 -2.150) 9.266 8.690 ( 14.240 11.579 6.889) 19.604 8.952 ( 3.368 17.696 1.716) 18.095 9.289 ( -10.342 -4.507 -0.873) 11.315 9.373 ( -2.931 -8.111 -7.602) 11.497 10.258 ( -16.336 2.017 3.105) 16.750 10.636 ( -0.330 -7.548 1.013) 7.622 11.031 ( 10.734 -20.931 -6.145) 24.312 11.515 ( -8.966 0.239 0.122) 8.970 12.190 ( 1.920 -14.088 -4.823) 15.014 13.136 ( -2.831 2.924 -0.820) 4.152 13.785 ( -0.970 -7.642 8.016) 11.117 14.262 ( -12.966 -7.335 3.528) 15.309 14.599 ( -9.704 5.816 9.051) 14.488 16.476 ( 9.155 7.663 5.450) 13.124 17.260 ( -5.252 5.848 -4.014) 8.826 19.348 ( -5.149 5.307 -21.599) 22.829 19.698 ( 9.112 7.408 8.029) 14.226 20.679 ( 4.808 7.519 5.322) 10.391 21.533 ( 4.801 -15.136 -9.204) 18.353 ======================= Grid point 44 (36/294) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( -5.291 -4.378 1.098) 6.955 3.485 ( -9.181 6.639 7.391) 13.527 3.739 ( 0.309 -3.264 -4.225) 5.348 3.890 ( 0.981 14.618 3.746) 15.122 4.354 ( 8.650 0.197 0.602) 8.673 4.458 ( -7.920 -1.597 2.475) 8.451 5.172 ( 3.199 -8.750 -5.217) 10.678 6.084 ( -4.189 -9.230 -4.841) 11.232 6.263 ( 8.949 0.104 4.153) 9.866 7.726 ( 2.026 -1.139 2.954) 3.759 8.339 ( 1.243 13.931 -5.809) 15.145 8.897 ( -17.665 1.417 1.153) 17.759 9.140 ( 9.950 11.151 4.864) 15.716 9.159 ( 2.489 -0.023 5.580) 6.110 9.358 ( 7.054 2.423 -2.331) 7.814 9.974 ( -20.509 4.732 -2.370) 21.181 10.596 ( 2.354 -4.285 0.768) 4.949 10.938 ( 9.966 -26.357 -4.248) 28.496 11.419 ( -2.978 -3.589 4.268) 6.322 12.148 ( 6.786 -1.709 -5.569) 8.944 13.094 ( -4.069 2.683 -2.618) 5.533 13.678 ( -8.729 -7.319 7.990) 13.914 14.038 ( -9.027 1.440 -3.831) 9.911 14.567 ( -1.695 -6.924 10.018) 12.295 16.695 ( 4.664 8.261 -3.377) 10.070 17.270 ( -1.818 10.686 4.399) 11.698 19.198 ( -3.401 1.242 -14.428) 14.875 19.902 ( 3.569 3.214 9.129) 10.316 20.911 ( 5.250 12.631 7.280) 15.495 21.406 ( 6.968 -16.664 -11.745) 21.545 ======================= Grid point 45 (37/294) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( -15.163 -4.300 -0.509) 15.769 3.487 ( -2.021 3.797 6.118) 7.479 3.623 ( -5.969 -2.950 0.853) 6.713 4.043 ( -3.993 6.480 -7.617) 10.768 4.212 ( -2.505 -3.322 5.974) 7.280 4.699 ( 15.064 6.861 -0.185) 16.554 5.168 ( 5.966 -3.227 -1.602) 6.970 5.903 ( -5.058 -4.797 -5.252) 8.728 6.422 ( 10.114 -4.496 1.231) 11.136 7.647 ( -5.761 -8.670 1.522) 10.520 8.329 ( -26.333 10.423 0.488) 28.325 8.548 ( -10.937 1.972 0.212) 11.115 9.251 ( 7.533 -3.496 0.498) 8.320 9.435 ( 1.545 1.399 0.203) 2.094 9.503 ( 8.626 10.046 10.037) 16.615 9.718 ( -10.115 4.101 -6.149) 12.527 10.632 ( 5.213 -4.142 -1.893) 6.923 10.877 ( 10.358 -14.563 2.016) 17.985 11.397 ( 4.119 -6.854 2.513) 8.383 12.305 ( 10.757 7.982 -2.622) 13.649 13.036 ( -2.537 1.478 -3.398) 4.491 13.499 ( -10.036 -5.758 7.527) 13.803 13.950 ( -2.704 5.852 -5.966) 8.784 14.516 ( 0.784 -13.395 6.836) 15.059 16.712 ( -6.522 9.271 -10.267) 15.294 17.445 ( 4.521 10.592 6.677) 13.312 19.095 ( -1.956 -1.837 -4.475) 5.217 20.011 ( 1.931 0.474 8.538) 8.766 21.009 ( -5.327 -1.554 -2.920) 6.270 21.441 ( 16.226 -1.179 -3.521) 16.646 ======================= Grid point 46 (38/294) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -20.874 -0.874 0.765) 20.907 3.457 ( -19.676 4.596 3.307) 20.475 3.543 ( 1.356 0.198 2.300) 2.677 3.879 ( 3.708 -10.075 -4.851) 11.780 4.344 ( 7.417 3.985 2.433) 8.764 4.925 ( 11.617 -0.761 -8.798) 14.592 5.282 ( 5.259 3.672 3.839) 7.475 5.768 ( -4.563 -1.813 -3.104) 5.808 6.549 ( 11.325 -5.122 0.529) 12.441 7.359 ( -26.166 -3.079 -0.289) 26.348 7.894 ( -23.470 -0.632 8.168) 24.859 8.476 ( -12.162 10.448 2.143) 16.176 9.254 ( -7.250 -1.803 -8.335) 11.193 9.404 ( 5.031 -3.035 -1.402) 6.040 9.680 ( 7.970 -6.433 -0.033) 10.242 9.792 ( 9.359 5.472 6.788) 12.791 10.646 ( 5.844 -8.242 0.728) 10.130 11.029 ( 5.042 8.472 5.672) 11.374 11.467 ( 12.346 -8.467 1.213) 15.019 12.590 ( 12.693 12.148 -1.225) 17.612 13.022 ( 2.744 -0.363 -1.588) 3.191 13.341 ( -8.479 -3.641 5.166) 10.575 13.991 ( 2.839 9.678 -4.243) 10.942 14.415 ( 1.148 -17.607 2.887) 17.879 16.573 ( -12.688 8.543 -9.937) 18.240 17.646 ( 6.419 8.365 -1.151) 10.606 19.025 ( -3.685 -5.645 6.103) 9.093 20.103 ( 4.020 -0.118 6.894) 7.981 20.790 ( -6.342 -9.348 -12.463) 16.821 21.737 ( 13.576 7.077 2.667) 15.540 ======================= Grid point 47 (39/294) ======================= q-point: (-0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -23.339 4.856 3.339) 24.071 3.041 ( -30.862 -0.205 -0.936) 30.877 3.614 ( 4.861 0.282 1.644) 5.140 3.961 ( 13.700 -5.097 -1.340) 14.679 4.515 ( 8.098 1.862 2.261) 8.611 5.008 ( 9.781 -2.961 -11.383) 15.298 5.381 ( -1.281 0.716 5.033) 5.242 5.674 ( -4.163 0.620 -1.678) 4.531 6.679 ( -5.757 -3.829 5.033) 8.552 6.826 ( -22.426 7.329 0.605) 23.601 7.689 ( -10.007 -0.032 7.322) 12.400 8.364 ( -13.981 8.579 3.088) 16.691 8.953 ( -13.369 -7.696 -11.108) 19.009 9.500 ( 10.906 -4.170 -3.431) 12.170 9.806 ( 11.286 -4.665 1.866) 12.354 9.992 ( 8.317 0.060 3.120) 8.883 10.700 ( 7.471 -5.899 3.276) 10.067 11.185 ( -4.473 13.043 8.914) 16.419 11.647 ( 15.927 -6.170 0.352) 17.084 12.901 ( 13.398 9.514 -4.168) 16.953 13.080 ( 2.061 -2.579 -0.237) 3.310 13.244 ( 0.100 -1.930 6.036) 6.338 14.182 ( 6.533 15.321 0.867) 16.678 14.263 ( 2.582 -19.602 -1.002) 19.797 16.346 ( -16.131 5.097 -7.827) 18.640 17.798 ( 8.672 4.166 -9.998) 13.875 18.919 ( -7.894 -8.433 12.817) 17.254 20.221 ( 6.518 -1.272 2.721) 7.177 20.529 ( -6.117 -4.206 -14.380) 16.183 22.010 ( 9.488 5.807 3.151) 11.562 ======================= Grid point 48 (40/294) ======================= q-point: (-0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -22.191 12.541 8.465) 26.858 2.488 ( -33.799 -0.838 -1.475) 33.841 3.711 ( 6.294 -1.008 -0.174) 6.376 4.134 ( 8.641 1.139 -1.007) 8.774 4.668 ( 6.030 0.882 5.827) 8.432 5.094 ( 12.352 -4.826 -10.602) 16.979 5.214 ( -22.640 3.461 2.187) 23.007 5.678 ( 3.057 2.823 1.765) 4.520 6.310 ( -22.923 5.302 10.796) 25.886 6.927 ( 7.718 1.928 -1.452) 8.087 7.600 ( -6.899 2.145 5.403) 9.021 8.174 ( -16.433 -2.453 -0.325) 16.619 8.655 ( -7.849 1.066 -7.029) 10.590 9.623 ( 9.947 -1.863 -4.217) 10.964 9.930 ( 6.644 -5.223 2.479) 8.808 10.118 ( 9.258 -3.496 -1.460) 10.004 10.813 ( 9.311 -4.950 4.164) 11.337 11.236 ( -10.277 9.288 11.733) 18.153 11.820 ( 11.662 -4.477 -6.489) 14.076 12.975 ( -1.947 -7.864 1.520) 8.242 13.163 ( 13.330 5.145 -10.655) 17.824 13.369 ( 6.738 -5.676 9.038) 12.621 14.125 ( 3.947 -13.983 0.596) 14.541 14.535 ( 11.147 19.867 6.001) 23.558 16.054 ( -17.205 0.366 -4.946) 17.906 17.864 ( 8.893 -5.963 -15.711) 19.013 18.799 ( -8.471 -2.046 13.127) 15.756 20.220 ( -0.152 -2.277 -16.955) 17.108 20.444 ( 1.101 4.488 0.957) 4.719 22.185 ( 5.328 1.846 1.659) 5.878 ======================= Grid point 50 (41/294) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -18.195 12.740 11.666) 25.089 2.469 ( -11.919 24.650 10.747) 29.414 3.681 ( 3.136 -4.700 -1.926) 5.970 4.191 ( 7.432 -7.924 -12.291) 16.404 4.662 ( 2.205 -12.060 10.694) 16.269 5.009 ( 6.747 5.282 1.260) 8.661 5.431 ( -7.646 12.584 0.684) 14.740 5.913 ( 0.552 5.304 7.687) 9.356 6.387 ( -20.202 7.631 10.133) 23.854 6.839 ( -0.189 -6.339 -9.496) 11.419 7.542 ( -12.238 -0.885 1.912) 12.418 7.901 ( -1.984 9.198 2.522) 9.742 8.908 ( 6.343 12.850 0.522) 14.339 9.734 ( 10.163 0.713 0.151) 10.189 9.749 ( 2.265 -9.903 -3.388) 10.709 10.032 ( 8.222 -7.809 -5.000) 12.393 10.881 ( 7.620 -3.632 0.027) 8.442 10.980 ( -27.994 -12.111 -7.494) 31.409 11.666 ( 6.135 -0.835 -3.884) 7.309 12.863 ( 2.219 -8.977 -3.583) 9.917 13.132 ( 10.040 1.319 -0.876) 10.164 13.298 ( 4.822 -7.070 4.571) 9.702 14.277 ( 6.024 0.110 10.341) 11.968 14.937 ( -2.671 -14.864 5.230) 15.981 16.170 ( 0.934 22.926 13.775) 26.763 17.490 ( 11.920 -3.520 -13.535) 18.376 18.875 ( -11.530 2.803 -1.620) 11.976 19.987 ( 1.257 3.562 -13.431) 13.952 20.582 ( 0.353 6.969 -6.112) 9.277 22.105 ( -2.970 -7.536 -2.306) 8.422 ======================= Grid point 51 (42/294) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -2.316 24.076 14.570) 28.237 2.620 ( -6.977 22.911 14.058) 27.771 3.673 ( 3.166 -5.143 -2.008) 6.365 4.058 ( -0.666 -14.687 -10.566) 18.105 4.644 ( -4.971 2.393 8.841) 10.421 5.149 ( 3.143 0.193 -1.765) 3.610 5.464 ( -0.105 6.388 2.034) 6.705 5.995 ( -0.473 -0.901 10.189) 10.240 6.196 ( -17.343 8.392 6.990) 20.496 6.720 ( 2.341 -5.695 -8.110) 10.182 7.453 ( -2.647 5.279 2.852) 6.558 8.026 ( 1.367 11.990 2.418) 12.307 9.174 ( 6.301 11.241 5.361) 13.957 9.621 ( -6.429 -9.796 -3.072) 12.113 9.884 ( 1.689 -7.434 -4.387) 8.796 9.935 ( -0.292 2.501 -4.819) 5.437 10.525 ( -1.906 -12.189 -5.240) 13.403 10.960 ( 4.987 -1.973 -1.721) 5.632 11.751 ( 9.568 -3.476 -2.573) 10.500 12.735 ( -3.381 -6.189 -8.695) 11.196 13.295 ( 7.048 -7.917 1.000) 10.647 13.388 ( 8.794 -0.474 6.739) 11.089 14.293 ( -3.121 -3.073 0.390) 4.397 14.872 ( 3.435 -12.862 16.997) 21.590 16.517 ( 0.604 22.712 17.423) 28.631 17.649 ( 17.186 2.876 -13.249) 21.890 18.591 ( -19.146 -2.645 -7.403) 20.697 19.968 ( 0.267 6.108 -13.276) 14.617 20.609 ( -0.795 7.784 -7.120) 10.579 21.928 ( -5.501 -9.705 -4.137) 11.898 ======================= Grid point 52 (43/294) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 7.882 22.799 16.339) 29.136 2.830 ( -2.607 22.081 11.494) 25.029 3.667 ( 2.126 -3.854 -0.230) 4.407 3.838 ( -2.337 -12.380 -6.653) 14.247 4.630 ( -3.910 1.396 3.210) 5.248 5.044 ( -8.315 -4.702 -5.849) 11.201 5.533 ( 4.183 -7.172 2.726) 8.738 6.005 ( -5.954 1.876 10.093) 11.867 6.149 ( -5.982 18.296 7.506) 20.661 6.743 ( 9.724 -4.304 -6.075) 12.247 7.571 ( 5.293 8.833 5.148) 11.513 8.171 ( 0.341 11.528 2.103) 11.723 9.028 ( -27.494 -3.450 -0.379) 27.712 9.527 ( 5.163 1.301 -3.671) 6.467 9.805 ( 6.814 -1.821 -8.240) 10.846 10.104 ( 10.092 -3.070 7.816) 13.129 10.466 ( 6.055 -9.514 -2.766) 11.612 10.989 ( 1.836 -0.257 -3.704) 4.142 11.890 ( 14.126 -7.406 0.047) 15.949 12.531 ( -8.483 -4.523 -11.089) 14.676 13.278 ( -0.140 -7.899 4.411) 9.048 13.522 ( 5.837 -4.401 0.913) 7.367 14.299 ( 6.693 -0.478 2.971) 7.338 14.930 ( 1.072 -6.662 16.640) 17.956 16.783 ( -7.511 19.703 20.879) 29.674 17.811 ( -0.709 0.850 -19.225) 19.257 18.276 ( 2.096 -1.778 -4.250) 5.062 19.930 ( -3.272 8.283 -15.683) 18.035 20.615 ( -2.265 6.658 -5.316) 8.816 21.720 ( -4.096 -10.487 -4.761) 12.224 ======================= Grid point 53 (44/294) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 2.518 8.914 10.587) 14.067 3.154 ( 3.934 25.262 11.244) 27.929 3.653 ( -0.860 -2.344 2.410) 3.470 3.712 ( 2.544 -6.943 -3.834) 8.330 4.571 ( -3.228 -2.877 -3.963) 5.866 4.817 ( -7.084 -6.218 -0.993) 9.478 5.474 ( 0.754 -13.322 -0.089) 13.344 5.983 ( -7.106 4.131 9.153) 12.302 6.420 ( 4.712 27.760 5.178) 28.629 6.810 ( 8.424 -8.472 -3.744) 12.521 7.836 ( 10.917 10.011 7.351) 16.537 8.234 ( -8.477 7.598 3.775) 11.993 8.658 ( -8.919 4.003 -5.902) 11.420 9.553 ( 1.440 -1.211 -4.389) 4.775 9.814 ( -1.208 -5.180 -4.674) 7.081 10.259 ( 12.301 -12.576 7.042) 18.949 10.508 ( 5.579 -0.645 0.977) 5.700 10.972 ( -0.413 0.144 -5.542) 5.559 12.038 ( 11.957 -11.386 1.458) 16.575 12.244 ( -11.746 -5.028 -9.574) 15.966 13.225 ( -1.920 -2.704 1.586) 3.676 13.554 ( 4.712 -6.853 3.316) 8.954 14.470 ( 7.169 -0.782 8.608) 11.229 14.977 ( 0.199 0.108 7.376) 7.379 16.853 ( -24.486 18.363 23.363) 38.505 17.472 ( -9.452 -7.019 -15.645) 19.579 18.587 ( 26.876 4.661 -6.695) 28.087 19.820 ( -7.424 8.600 -17.456) 20.828 20.604 ( -2.691 5.062 -2.327) 6.187 21.552 ( -0.545 -10.822 -4.678) 11.802 ======================= Grid point 54 (45/294) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( 2.568 3.024 1.274) 4.167 3.455 ( -1.228 17.529 12.625) 21.637 3.688 ( 3.823 1.013 4.536) 6.018 3.702 ( 1.973 -0.736 -0.089) 2.108 4.391 ( -7.469 -4.845 -9.152) 12.768 4.745 ( 1.021 -4.436 4.406) 6.335 5.331 ( -1.492 -13.403 -2.517) 13.719 5.966 ( -4.808 3.085 7.892) 9.743 6.591 ( -5.595 -0.163 -8.104) 9.849 7.020 ( 16.461 16.865 6.860) 24.545 8.139 ( -5.269 3.927 0.443) 6.586 8.193 ( 13.057 9.772 8.816) 18.539 8.727 ( 6.991 11.450 -3.362) 13.830 9.508 ( -1.640 -3.121 -5.619) 6.634 9.621 ( -9.383 -7.103 -2.868) 12.112 10.355 ( 12.683 -18.382 4.359) 22.754 10.587 ( -0.815 3.193 3.100) 4.524 10.911 ( -1.394 -2.515 -6.378) 6.996 11.904 ( -11.971 -0.757 -10.609) 16.014 12.112 ( 4.480 -15.820 4.551) 17.060 13.192 ( -1.405 0.609 0.253) 1.552 13.609 ( 6.728 -7.158 5.033) 11.038 14.539 ( -3.671 -7.026 14.299) 16.349 15.027 ( -2.194 10.300 -5.538) 11.899 16.634 ( -26.206 9.181 17.014) 32.566 17.336 ( 0.182 0.496 -2.868) 2.917 19.026 ( 25.609 4.097 -11.428) 28.340 19.669 ( -7.757 7.666 -11.761) 16.039 20.609 ( -0.915 4.588 0.431) 4.699 21.431 ( 1.347 -10.972 -4.859) 12.075 ======================= Grid point 55 (46/294) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 1.379 -1.071 -0.121) 1.750 3.603 ( -0.745 8.129 3.200) 8.767 3.754 ( -0.605 2.271 5.503) 5.984 3.841 ( 6.436 7.042 5.778) 11.153 4.193 ( -5.260 -2.340 -5.870) 8.222 4.731 ( -3.111 -2.366 3.268) 5.095 5.154 ( -1.666 -12.566 -4.789) 13.551 5.995 ( 1.016 0.484 6.673) 6.767 6.364 ( -8.550 -6.463 -7.258) 12.945 7.510 ( 13.332 19.428 4.629) 24.013 8.127 ( 3.504 -0.339 -3.331) 4.846 8.587 ( 15.866 10.014 8.889) 20.761 8.982 ( 11.481 11.442 -2.581) 16.413 9.325 ( -8.515 -5.448 -3.397) 10.664 9.443 ( -8.134 -0.865 -1.969) 8.414 10.376 ( 9.962 -21.106 4.101) 23.697 10.550 ( -8.855 2.997 0.266) 9.352 10.790 ( -2.647 -7.978 -6.441) 10.589 11.675 ( -10.557 0.597 -4.687) 11.566 12.032 ( 1.266 -10.501 1.474) 10.679 13.185 ( -1.179 1.566 -0.494) 2.022 13.677 ( 6.272 -7.769 3.708) 10.651 14.400 ( -11.239 -10.103 9.893) 18.062 14.976 ( -13.709 13.601 -6.604) 20.409 16.538 ( -4.941 5.503 15.063) 16.780 17.360 ( -1.642 6.223 1.989) 6.736 19.227 ( 7.722 -0.029 -25.751) 26.884 19.696 ( 5.521 6.938 8.553) 12.320 20.688 ( 4.159 6.101 2.014) 7.653 21.314 ( 0.561 -10.987 -5.497) 12.298 ======================= Grid point 56 (47/294) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( -2.634 -2.276 1.282) 3.710 3.630 ( 2.557 -3.482 -7.277) 8.463 3.737 ( -8.416 2.458 8.112) 11.945 4.069 ( 0.321 14.525 4.533) 15.219 4.165 ( 9.391 -2.028 -0.601) 9.627 4.619 ( -10.022 -0.530 1.762) 10.190 5.021 ( 1.957 -7.703 -3.996) 8.896 6.030 ( -0.295 -5.601 0.541) 5.635 6.203 ( -0.444 -0.187 -1.187) 1.281 7.748 ( -1.503 3.961 1.143) 4.388 8.256 ( 14.092 2.970 -3.848) 14.907 8.995 ( 14.489 9.239 9.259) 19.520 9.127 ( 3.486 -6.861 -6.710) 10.210 9.207 ( -9.518 -4.003 -0.614) 10.344 9.341 ( -1.086 17.669 2.032) 17.818 10.333 ( -14.234 0.942 3.674) 14.731 10.382 ( 8.445 -18.313 -3.790) 20.519 10.624 ( -1.182 -11.126 -4.451) 12.041 11.483 ( -8.119 -4.924 -0.417) 9.504 12.052 ( 4.563 4.065 0.751) 6.157 13.161 ( -2.918 1.865 -2.210) 4.108 13.690 ( 1.737 -7.837 1.635) 8.192 14.150 ( -11.350 -7.981 3.413) 14.289 14.798 ( -16.552 8.500 -1.174) 18.644 16.680 ( 4.058 5.383 8.088) 10.529 17.424 ( -1.763 9.807 4.116) 10.781 19.120 ( 1.130 -2.629 -19.351) 19.561 19.920 ( 5.660 2.170 11.506) 13.005 20.902 ( 12.434 7.003 1.373) 14.336 21.168 ( -2.680 -8.674 -5.417) 10.572 ======================= Grid point 57 (48/294) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( -8.312 -1.078 0.777) 8.418 3.570 ( 1.653 -5.804 -5.328) 8.050 3.658 ( -7.188 0.424 6.821) 9.918 4.162 ( -1.776 7.035 1.286) 7.368 4.243 ( -2.914 -7.726 -3.113) 8.824 4.548 ( 3.285 5.596 -1.179) 6.595 5.063 ( 7.159 2.654 2.338) 7.985 5.934 ( -4.363 -0.970 -1.675) 4.774 6.258 ( 5.696 -2.534 0.053) 6.234 7.667 ( -4.599 -4.971 0.431) 6.785 8.512 ( 12.502 3.241 -0.662) 12.933 8.865 ( -23.987 -0.795 1.304) 24.035 9.100 ( 4.192 -5.499 -3.689) 7.837 9.327 ( 9.914 2.303 0.537) 10.192 9.513 ( 2.650 5.564 5.715) 8.405 10.025 ( -20.096 2.693 -3.816) 20.631 10.454 ( 10.739 -8.431 -2.959) 13.971 10.553 ( 11.010 -8.711 3.155) 14.390 11.344 ( -2.950 -3.524 -0.385) 4.612 12.241 ( 7.875 10.712 1.791) 13.415 13.098 ( -4.793 1.904 -3.224) 6.082 13.597 ( -4.730 -7.413 1.535) 8.926 13.987 ( -3.124 -2.101 0.577) 3.809 14.596 ( -13.572 1.541 0.423) 13.665 16.790 ( -0.425 5.529 -1.452) 5.732 17.532 ( 0.375 9.327 2.549) 9.676 19.034 ( 2.479 -4.462 -6.289) 8.099 20.041 ( 1.474 -1.534 10.159) 10.379 20.935 ( -0.703 -15.090 -10.794) 18.566 21.276 ( 11.413 15.124 5.401) 19.702 ======================= Grid point 58 (49/294) ======================= q-point: (-0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( -14.737 2.583 1.451) 15.031 3.542 ( 3.459 -3.777 -0.597) 5.156 3.627 ( -0.253 -1.018 4.956) 5.066 3.910 ( -19.052 -4.924 -5.713) 20.490 4.271 ( 4.578 1.275 1.579) 5.008 4.650 ( 9.654 -4.538 -7.757) 13.189 5.276 ( 6.391 8.624 4.152) 11.509 5.864 ( -6.186 3.761 1.807) 7.462 6.340 ( 8.974 -2.280 -1.153) 9.330 7.557 ( -5.715 -2.943 2.618) 6.940 8.391 ( -25.831 -6.829 5.575) 27.294 8.726 ( -2.275 13.667 0.576) 13.867 9.079 ( 5.025 -10.694 -5.050) 12.850 9.383 ( 2.146 -3.456 -6.571) 7.729 9.527 ( -1.206 -11.119 -0.520) 11.196 9.822 ( -5.339 4.740 5.141) 8.798 10.494 ( 5.612 -3.740 0.186) 6.747 10.883 ( 22.922 3.804 4.153) 23.603 11.322 ( 1.108 1.953 0.155) 2.250 12.503 ( 10.176 10.068 0.431) 14.321 13.023 ( -3.164 1.242 -1.640) 3.774 13.447 ( -6.184 -6.592 1.789) 9.214 14.016 ( 3.074 7.157 1.480) 7.928 14.378 ( -10.520 -5.585 -1.342) 11.986 16.754 ( -7.462 5.670 -5.898) 11.073 17.607 ( 2.310 3.474 -6.478) 7.705 19.034 ( 1.730 -5.605 7.797) 9.757 20.088 ( 1.493 -3.225 6.570) 7.470 20.695 ( -4.079 -10.851 -11.438) 16.285 21.640 ( 12.162 12.288 4.522) 17.870 ======================= Grid point 59 (50/294) ======================= q-point: (-0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -18.951 7.777 4.046) 20.880 3.458 ( -22.764 -6.305 -6.191) 24.419 3.596 ( 2.579 0.290 1.897) 3.215 3.713 ( 8.002 -0.152 3.172) 8.610 4.375 ( 8.043 -2.478 -0.047) 8.416 4.703 ( 10.634 -7.628 -8.359) 15.529 5.425 ( 2.042 4.500 2.209) 5.413 5.813 ( -7.650 5.468 4.841) 10.577 6.517 ( 12.305 1.677 -0.490) 12.428 7.391 ( -20.032 4.453 3.087) 20.752 7.983 ( -20.918 -1.255 8.535) 22.627 8.696 ( -14.766 7.022 1.634) 16.432 8.964 ( -3.638 -11.215 -7.828) 14.152 9.281 ( 4.433 -6.323 -5.758) 9.632 9.544 ( 12.426 -5.978 -2.277) 13.976 9.878 ( 5.460 -3.629 4.146) 7.757 10.563 ( 5.488 -2.776 1.463) 6.322 11.313 ( 19.879 0.886 3.258) 20.164 11.409 ( 0.020 12.278 5.028) 13.267 12.733 ( 10.232 4.164 -4.737) 12.019 13.034 ( 2.697 1.035 2.599) 3.886 13.303 ( -4.996 -4.979 2.455) 7.468 14.125 ( -7.091 -11.268 -4.566) 14.074 14.244 ( 7.135 16.580 6.025) 19.029 16.585 ( -13.651 3.086 -6.202) 15.308 17.600 ( 5.636 -4.388 -15.048) 16.657 19.039 ( -3.730 -5.555 15.235) 16.640 20.111 ( 3.571 -5.080 -1.523) 6.394 20.504 ( -3.190 -1.706 -7.813) 8.610 21.939 ( 9.284 7.842 3.294) 12.591 ======================= Grid point 60 (51/294) ======================= q-point: (-0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -19.291 13.261 8.287) 24.833 2.964 ( -27.279 -2.030 -4.943) 27.797 3.646 ( 1.815 0.074 1.689) 2.481 3.917 ( 14.096 0.160 -0.477) 14.105 4.483 ( 11.250 -8.623 1.112) 14.218 4.777 ( 11.672 -5.360 -7.071) 14.661 5.478 ( -1.187 2.453 3.054) 4.093 5.788 ( -7.182 8.323 6.515) 12.778 6.698 ( 5.330 1.386 -0.523) 5.532 7.044 ( -29.097 11.793 4.100) 31.662 7.800 ( -10.084 2.245 7.732) 12.904 8.408 ( -17.973 -7.685 -3.485) 19.856 8.772 ( -7.776 3.597 -2.708) 8.986 9.368 ( 13.486 -4.097 -4.673) 14.849 9.687 ( 12.844 -6.910 -3.341) 14.963 9.953 ( 6.888 -6.576 1.556) 9.649 10.646 ( 7.370 -3.109 1.404) 8.121 11.491 ( 4.359 2.329 1.883) 5.289 11.620 ( 1.632 7.035 5.887) 9.317 12.860 ( 8.139 -4.835 -2.886) 9.897 13.039 ( -1.420 0.065 -6.805) 6.952 13.307 ( 3.075 -2.165 8.574) 9.363 13.922 ( 2.475 -13.015 -0.489) 13.258 14.623 ( 9.263 22.342 8.041) 25.487 16.300 ( -16.986 -1.626 -4.024) 17.532 17.540 ( 8.160 -10.307 -18.244) 22.487 19.001 ( -7.094 -0.834 13.927) 15.651 20.077 ( 2.834 -3.795 -11.511) 12.447 20.480 ( 0.321 5.056 -1.522) 5.290 22.125 ( 5.428 2.295 1.750) 6.148 ======================= Grid point 62 (52/294) ======================= q-point: ( 0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( -16.333 8.915 8.599) 20.498 2.935 ( -11.803 20.727 6.875) 24.823 3.601 ( 2.231 -4.929 -0.168) 5.413 3.950 ( 4.785 -4.149 -11.444) 13.080 4.420 ( 14.025 -11.167 8.549) 19.862 4.821 ( 13.130 -2.113 -4.387) 14.004 5.524 ( 0.309 -2.438 1.561) 2.911 6.118 ( -6.542 4.998 10.626) 13.442 6.645 ( 5.354 -7.787 -9.573) 13.452 7.093 ( -31.831 24.584 5.994) 40.663 7.738 ( -12.881 -4.989 -1.784) 13.928 8.106 ( -6.613 13.690 7.231) 16.835 8.930 ( 3.558 10.415 -2.691) 11.330 9.511 ( 11.523 -5.495 -0.101) 12.767 9.547 ( 12.132 -6.135 -2.737) 13.868 9.838 ( 4.552 -4.846 -1.107) 6.740 10.703 ( 8.656 -2.918 -1.373) 9.237 11.202 ( -18.154 -10.506 -17.556) 27.353 11.652 ( -6.856 -4.908 8.223) 11.778 12.737 ( 2.380 -6.907 -1.016) 7.375 13.015 ( 5.389 2.927 -0.509) 6.153 13.218 ( 1.559 -3.210 2.508) 4.362 14.186 ( 14.390 0.467 14.858) 20.689 14.874 ( -6.543 -15.893 -2.761) 17.408 16.467 ( 0.762 22.409 16.875) 28.063 17.180 ( 11.815 -3.419 -12.434) 17.490 19.067 ( -9.473 2.497 -1.734) 9.949 19.909 ( 2.436 1.551 -7.650) 8.177 20.587 ( 1.644 5.641 -7.194) 9.289 22.070 ( -2.885 -7.491 -0.703) 8.058 ======================= Grid point 63 (53/294) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -6.615 17.674 11.912) 22.317 3.006 ( -7.826 18.154 7.215) 21.045 3.595 ( 1.688 -3.118 1.033) 3.693 3.870 ( 0.714 -7.488 -9.370) 12.016 4.558 ( 8.864 -9.733 4.903) 14.048 5.000 ( 12.643 -2.106 -3.582) 13.309 5.487 ( -1.166 -6.567 1.586) 6.856 6.086 ( -5.176 -2.734 8.266) 10.128 6.555 ( 1.026 -9.417 -8.107) 12.468 6.890 ( -29.233 32.523 5.818) 44.115 7.568 ( -4.548 1.477 1.596) 5.041 8.202 ( -4.613 15.731 6.207) 17.529 9.149 ( 10.343 13.037 -1.521) 16.711 9.508 ( 4.324 -11.059 -1.325) 11.948 9.741 ( 9.323 -4.133 -0.805) 10.230 9.881 ( 4.633 -0.927 0.541) 4.756 10.585 ( -24.153 -12.994 -13.432) 30.539 10.809 ( 8.648 -2.827 -2.816) 9.524 11.608 ( 2.646 -6.101 2.065) 6.963 12.670 ( -0.899 -6.371 -4.123) 7.642 13.132 ( 6.371 -0.896 0.673) 6.469 13.309 ( 6.484 -0.284 7.232) 9.717 14.310 ( -3.898 -5.973 -0.324) 7.140 14.754 ( 8.590 -11.759 15.094) 20.974 16.808 ( 1.362 21.839 14.843) 26.440 17.329 ( 15.614 0.894 -8.339) 17.723 18.831 ( -17.022 -0.326 -8.698) 19.118 19.928 ( 1.847 3.473 -6.106) 7.263 20.629 ( 1.695 7.737 -9.521) 12.384 21.899 ( -5.624 -11.349 -2.001) 12.823 ======================= Grid point 64 (54/294) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 2.530 17.939 14.628) 23.285 3.101 ( -2.635 15.446 1.510) 15.741 3.618 ( 1.622 -0.046 3.022) 3.430 3.746 ( -2.513 -5.893 -3.143) 7.136 4.582 ( 3.608 -9.304 -0.030) 9.979 5.067 ( -1.409 -2.868 -5.023) 5.954 5.392 ( 2.295 -13.763 1.064) 13.993 6.043 ( -0.429 -4.775 8.060) 9.377 6.458 ( 3.100 -6.745 -4.364) 8.611 6.838 ( -20.956 35.862 4.393) 41.768 7.625 ( 2.959 6.915 5.873) 9.543 8.312 ( -2.795 13.746 3.752) 14.520 9.377 ( -14.780 -11.498 0.034) 18.726 9.440 ( 8.113 11.133 -0.334) 13.779 9.620 ( -1.345 -6.843 -10.164) 12.326 9.992 ( 5.770 -2.911 6.171) 8.936 10.268 ( 4.556 -5.529 -5.380) 8.959 10.891 ( 6.360 -2.002 -3.824) 7.686 11.647 ( 8.539 -6.455 1.022) 10.753 12.531 ( -4.807 -6.197 -7.232) 10.668 13.204 ( 3.761 -4.427 3.904) 6.998 13.433 ( 3.641 -1.072 3.370) 5.076 14.212 ( 3.061 -2.903 -0.303) 4.230 14.923 ( 5.922 -6.796 19.487) 21.471 17.081 ( 2.524 14.422 8.009) 16.689 17.598 ( 16.219 5.932 -3.356) 17.593 18.420 ( -22.385 -2.794 -10.092) 24.713 19.944 ( -0.572 4.838 -7.540) 8.977 20.665 ( 0.032 7.783 -8.525) 11.544 21.669 ( -5.753 -12.816 -3.077) 14.382 ======================= Grid point 65 (55/294) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( -0.057 2.330 5.169) 5.670 3.319 ( 7.308 18.740 2.529) 20.273 3.657 ( -2.098 0.159 3.213) 3.841 3.695 ( -0.061 3.526 5.791) 6.780 4.516 ( 0.367 -8.205 -3.642) 8.984 4.874 ( -8.866 -6.731 -3.407) 11.641 5.322 ( 2.940 -13.030 -0.771) 13.380 6.061 ( 0.704 -3.748 6.831) 7.823 6.513 ( 12.154 -5.837 -1.549) 13.571 6.895 ( -15.658 33.979 2.970) 37.530 7.837 ( 7.582 8.819 8.958) 14.680 8.411 ( -2.481 10.438 2.603) 11.041 8.889 ( -22.351 -5.864 -5.626) 23.782 9.497 ( 0.705 -1.008 -3.274) 3.498 9.699 ( 7.546 -1.094 -3.945) 8.585 10.024 ( 4.809 -11.444 2.122) 12.594 10.399 ( 9.988 2.446 3.516) 10.868 10.927 ( 2.765 -1.008 -4.977) 5.783 11.768 ( 11.359 -6.883 2.428) 13.501 12.309 ( -8.629 -6.245 -8.255) 13.476 13.222 ( 0.579 -3.829 4.079) 5.625 13.465 ( 1.984 -1.852 0.808) 2.832 14.359 ( 10.986 2.686 3.392) 11.807 15.022 ( 0.275 -4.851 15.571) 16.311 17.257 ( 3.951 5.229 -0.086) 6.554 17.731 ( -24.041 11.440 5.569) 27.201 18.157 ( 15.705 -3.122 -9.528) 18.632 19.890 ( -4.728 4.125 -10.286) 12.048 20.674 ( -1.689 6.150 -5.408) 8.362 21.457 ( -3.072 -11.390 -3.210) 12.226 ======================= Grid point 66 (56/294) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( 1.718 -2.131 -2.588) 3.767 3.600 ( 6.880 9.269 4.670) 12.452 3.682 ( 0.391 3.424 4.585) 5.736 3.762 ( -3.296 5.590 5.906) 8.774 4.397 ( -3.573 -4.874 -6.379) 8.787 4.731 ( -1.174 -2.766 3.021) 4.261 5.211 ( -0.594 -12.096 -2.980) 12.472 6.058 ( -1.322 -2.798 4.440) 5.412 6.598 ( 2.211 -6.327 -3.302) 7.471 7.062 ( 1.251 26.817 3.786) 27.112 8.130 ( 11.294 7.155 9.962) 16.672 8.334 ( -13.777 1.397 -1.321) 13.911 8.700 ( 2.587 6.380 -3.394) 7.675 9.473 ( -0.066 -1.521 -3.247) 3.586 9.655 ( -4.001 -6.050 -3.279) 7.960 10.030 ( 8.285 -12.092 0.452) 14.664 10.599 ( 5.977 2.826 6.324) 9.149 10.897 ( -1.527 -0.872 -6.035) 6.286 11.860 ( 5.348 -7.549 -0.216) 9.254 12.076 ( -7.572 -3.776 -3.779) 9.267 13.214 ( -0.637 -0.626 1.201) 1.497 13.496 ( 3.438 -3.168 2.711) 5.404 14.562 ( 5.202 0.644 5.846) 7.852 15.056 ( 0.529 0.303 4.419) 4.461 17.185 ( -13.113 -3.690 -10.026) 16.914 17.492 ( -19.221 15.142 23.620) 34.009 18.503 ( 28.721 -1.079 -13.642) 31.814 19.767 ( -5.821 2.900 -8.384) 10.610 20.672 ( -1.548 4.483 -2.072) 5.176 21.317 ( -0.783 -8.264 -2.645) 8.712 ======================= Grid point 67 (57/294) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 4.134 -2.259 -2.815) 5.488 3.687 ( -4.281 -0.385 -1.221) 4.469 3.796 ( 2.933 3.653 5.394) 7.144 3.818 ( 5.228 3.807 4.200) 7.712 4.270 ( -5.206 1.526 -2.799) 6.104 4.767 ( 0.681 0.671 4.852) 4.946 5.054 ( -2.454 -9.027 -4.407) 10.340 6.030 ( -1.596 -1.798 2.971) 3.822 6.443 ( -9.938 -2.606 -4.414) 11.182 7.450 ( 16.210 14.839 3.451) 22.246 8.127 ( -8.136 -1.604 -4.882) 9.623 8.466 ( 14.813 5.785 9.432) 18.489 8.838 ( 8.465 2.059 -4.479) 9.796 9.413 ( -4.459 0.297 -0.970) 4.573 9.528 ( -3.881 -0.394 -0.751) 3.972 10.036 ( 7.363 -14.602 -0.263) 16.355 10.682 ( -2.304 -0.592 3.376) 4.130 10.787 ( -5.572 -1.602 -4.657) 7.436 11.773 ( -5.905 -3.256 -5.308) 8.582 11.989 ( -0.733 -0.960 3.541) 3.741 13.207 ( -0.682 0.994 -0.679) 1.383 13.541 ( 4.425 -4.889 2.414) 7.022 14.541 ( -8.490 -6.407 6.812) 12.631 15.111 ( 1.374 8.033 -9.833) 12.772 16.897 ( -17.085 2.412 11.490) 20.730 17.526 ( -7.398 9.778 13.899) 18.535 18.790 ( 21.713 -6.114 -23.854) 32.831 19.728 ( 1.406 3.485 2.997) 4.807 20.696 ( 1.070 3.255 0.233) 3.435 21.230 ( -1.031 -4.501 -1.871) 4.982 ======================= Grid point 68 (58/294) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( 3.655 -1.412 0.057) 3.919 3.554 ( -4.190 -4.795 -7.253) 9.652 3.874 ( -1.485 -1.392 6.438) 6.752 3.952 ( 8.542 -1.453 -2.170) 8.933 4.244 ( -2.723 6.792 1.661) 7.503 4.778 ( -2.467 2.655 4.027) 5.417 4.945 ( -2.938 -0.717 -2.346) 3.827 6.013 ( -0.814 -1.018 1.252) 1.808 6.253 ( -7.167 0.063 -2.450) 7.574 7.824 ( 7.957 7.022 2.495) 10.902 7.966 ( 4.341 -10.162 -6.947) 13.053 8.838 ( 16.541 2.570 4.802) 17.415 8.915 ( 8.731 -2.915 -4.834) 10.397 9.338 ( -7.026 0.821 1.053) 7.152 9.547 ( -1.302 12.925 2.594) 13.247 9.994 ( 7.429 -18.144 -0.538) 19.613 10.524 ( -8.435 -7.828 -5.168) 12.615 10.672 ( -9.313 2.446 2.283) 9.896 11.582 ( -9.648 -3.049 -2.950) 10.540 12.067 ( 3.123 7.706 4.160) 9.298 13.196 ( -1.194 1.580 -2.283) 3.022 13.567 ( 3.901 -6.070 0.110) 7.216 14.307 ( -13.403 -7.371 2.914) 15.571 15.069 ( -8.385 9.084 -13.022) 17.955 16.831 ( -7.254 3.720 18.618) 20.325 17.587 ( -4.260 9.272 7.824) 12.858 18.828 ( 12.417 -9.844 -23.449) 28.301 19.887 ( 7.421 0.837 9.713) 12.252 20.767 ( 4.890 -1.166 0.150) 5.030 21.188 ( -1.432 3.578 0.048) 3.854 ======================= Grid point 70 (59/294) ======================= q-point: (-0.33 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( -2.346 0.582 2.743) 3.656 3.413 ( 1.585 -7.602 -9.356) 12.159 3.781 ( -6.215 -6.563 2.121) 9.284 4.043 ( 9.283 -7.296 -4.513) 12.640 4.271 ( -2.816 3.456 3.345) 5.574 4.756 ( -14.058 10.774 -0.423) 17.717 4.997 ( 9.034 6.726 4.375) 12.083 5.992 ( -2.009 2.789 -0.769) 3.522 6.201 ( -0.095 0.088 1.003) 1.011 7.717 ( -7.166 -3.510 -3.719) 8.804 8.150 ( 21.271 -15.426 -0.018) 26.276 8.898 ( 8.254 -8.974 -7.323) 14.223 9.159 ( -4.169 5.754 -4.222) 8.265 9.244 ( 0.926 3.517 9.295) 9.982 9.643 ( -6.704 7.865 2.022) 10.531 10.027 ( 19.085 -10.831 1.001) 21.967 10.259 ( -9.897 -8.527 -4.902) 13.953 10.565 ( -8.220 4.776 3.191) 10.028 11.409 ( -7.019 0.581 -1.499) 7.201 12.258 ( 5.204 11.034 4.051) 12.855 13.165 ( -2.928 2.027 -3.174) 4.771 13.543 ( 0.812 -6.492 -2.665) 7.065 14.073 ( -8.628 -2.900 2.544) 9.451 14.873 ( -15.226 6.535 -10.103) 19.406 16.879 ( -3.484 2.845 11.810) 12.638 17.631 ( -3.148 6.434 -1.338) 7.287 18.823 ( 11.133 -8.729 -8.137) 16.320 20.025 ( 4.085 -4.015 7.869) 9.733 20.763 ( 0.567 -9.264 -1.725) 9.440 21.318 ( 5.590 14.501 3.143) 15.855 ======================= Grid point 71 (60/294) ======================= q-point: (-0.25 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( -7.294 2.677 1.411) 7.897 3.362 ( 5.983 -8.350 -5.592) 11.695 3.643 ( -2.249 -6.870 0.298) 7.235 4.032 ( -0.454 -7.415 -2.997) 8.010 4.262 ( -2.500 0.908 2.719) 3.804 4.595 ( -10.439 5.513 -4.109) 12.500 5.276 ( 7.636 10.818 3.588) 13.719 6.025 ( -1.828 8.787 3.380) 9.590 6.219 ( 2.407 -0.195 -0.021) 2.415 7.601 ( -1.997 -1.945 0.724) 2.880 8.280 ( 16.631 -24.828 0.457) 29.887 8.894 ( 5.757 -9.817 -5.782) 12.765 9.009 ( -13.728 11.999 -2.543) 18.409 9.304 ( -1.437 -3.899 0.199) 4.160 9.502 ( -8.301 -6.085 0.106) 10.293 9.999 ( -10.018 -5.696 -1.923) 11.684 10.389 ( 13.814 6.398 5.041) 16.036 10.600 ( 10.692 3.599 4.182) 12.032 11.374 ( -0.864 7.682 -0.723) 7.764 12.466 ( 5.777 8.667 1.869) 10.582 13.098 ( -4.695 1.451 -2.563) 5.543 13.435 ( -2.773 -7.667 -3.433) 8.847 14.061 ( 2.130 7.277 5.049) 9.110 14.587 ( -17.565 2.327 -8.444) 19.628 16.885 ( -5.307 3.032 3.962) 7.284 17.557 ( -2.817 -2.990 -12.637) 13.288 18.940 ( 9.805 -5.028 8.223) 13.750 20.047 ( 1.378 -6.689 2.702) 7.345 20.633 ( -4.110 -7.517 -0.680) 8.594 21.614 ( 9.496 14.129 3.389) 17.357 ======================= Grid point 72 (61/294) ======================= q-point: (-0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( -10.323 6.771 2.960) 12.695 3.357 ( 6.735 -8.997 -6.078) 12.777 3.587 ( 0.772 -4.293 0.698) 4.417 3.862 ( -11.488 -1.132 -0.017) 11.544 4.248 ( 1.862 -4.452 -0.140) 4.828 4.517 ( -0.153 1.443 -3.625) 3.904 5.440 ( 2.283 5.089 0.314) 5.587 6.064 ( -8.800 8.751 8.771) 15.197 6.343 ( 10.915 4.183 -2.773) 12.014 7.604 ( -1.909 2.989 5.064) 6.182 8.204 ( -0.845 -18.019 1.745) 18.123 8.795 ( -1.965 -12.243 -5.101) 13.408 8.975 ( -1.952 9.085 -1.401) 9.398 9.166 ( -6.440 -6.210 -3.968) 9.787 9.359 ( -0.060 -4.807 -0.994) 4.909 9.831 ( -3.037 -4.759 -0.359) 5.657 10.508 ( 0.870 1.371 2.838) 3.269 11.028 ( 20.763 4.753 7.709) 22.652 11.518 ( 5.171 14.899 0.932) 15.798 12.619 ( 5.393 4.002 -2.128) 7.044 13.042 ( -1.421 0.365 0.184) 1.479 13.299 ( -2.078 -7.595 -1.181) 7.962 14.212 ( -12.108 -1.146 -8.853) 15.043 14.344 ( 2.972 15.545 7.933) 17.704 16.793 ( -11.342 2.641 -0.577) 11.660 17.362 ( 1.127 -12.706 -17.884) 21.967 19.092 ( 3.748 -3.117 14.197) 15.010 19.997 ( 1.192 -6.678 -3.481) 7.625 20.523 ( -3.352 -1.583 1.497) 3.998 21.895 ( 8.151 9.553 2.370) 12.780 ======================= Grid point 73 (62/294) ======================= q-point: (-0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -13.802 10.717 7.389) 18.973 3.236 ( -10.790 -3.251 -7.950) 13.791 3.596 ( 4.233 -3.015 -1.019) 5.296 3.769 ( 2.376 -0.292 2.520) 3.476 4.241 ( 5.456 -8.754 -0.599) 10.333 4.559 ( 6.343 -0.100 -3.068) 7.047 5.492 ( 0.939 1.403 0.390) 1.733 6.057 ( -8.339 8.504 11.095) 16.278 6.535 ( 10.334 2.269 -6.050) 12.188 7.581 ( -14.220 8.624 5.936) 17.658 8.030 ( -7.877 -2.243 4.761) 9.473 8.523 ( -11.330 -13.153 -5.370) 18.172 8.969 ( -11.354 4.556 -1.117) 12.285 9.084 ( 11.118 -3.053 -2.801) 11.865 9.402 ( 10.295 -5.587 -2.271) 11.931 9.794 ( 4.017 -5.758 -0.417) 7.033 10.549 ( 2.768 -0.719 1.108) 3.067 11.330 ( 9.861 0.709 1.911) 10.070 11.782 ( 3.667 13.417 6.217) 15.235 12.699 ( 4.935 -0.362 -3.554) 6.092 13.016 ( -1.106 -3.379 -2.988) 4.644 13.287 ( 4.616 -1.408 6.801) 8.339 13.864 ( -11.300 -7.610 -7.532) 15.567 14.728 ( 9.403 20.506 9.382) 24.433 16.540 ( -16.959 -2.752 -2.099) 17.308 17.197 ( 6.946 -12.564 -16.794) 22.094 19.158 ( -2.633 -0.975 12.022) 12.345 19.937 ( 2.087 -3.818 -7.392) 8.577 20.513 ( -0.232 2.669 1.139) 2.911 22.077 ( 4.779 3.739 1.217) 6.189 ======================= Grid point 76 (63/294) ======================= q-point: ( 0.08 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( -10.187 6.597 3.857) 12.735 3.272 ( -3.231 3.513 3.539) 5.942 3.475 ( 1.886 0.244 0.180) 1.910 3.839 ( 4.791 2.201 -5.764) 7.812 4.193 ( 6.577 -3.121 5.019) 8.843 4.584 ( 7.119 -3.798 -2.455) 8.434 5.500 ( 0.117 -2.138 0.664) 2.242 6.284 ( -0.630 -1.325 2.558) 2.949 6.413 ( 0.847 -7.564 -5.040) 9.129 7.722 ( -6.949 9.399 -3.933) 12.333 7.872 ( -16.334 2.879 0.803) 16.605 8.418 ( -4.199 15.944 9.789) 19.174 8.945 ( 1.864 5.307 -3.080) 6.412 9.258 ( 13.303 -4.541 -0.569) 14.069 9.315 ( 4.162 -4.491 0.287) 6.130 9.752 ( 2.950 0.359 1.096) 3.167 10.565 ( 3.439 -1.301 -2.132) 4.251 11.241 ( -9.018 -4.763 -10.630) 14.731 11.786 ( -11.521 -11.761 2.305) 16.624 12.660 ( 0.037 -3.506 1.129) 3.683 12.993 ( 2.309 3.793 1.579) 4.713 13.224 ( -3.825 0.287 -2.447) 4.550 14.012 ( 18.074 2.883 13.577) 22.789 14.811 ( -8.980 -17.934 -7.987) 21.588 16.710 ( 10.698 15.192 13.922) 23.218 16.957 ( 0.999 2.268 -2.280) 3.368 19.186 ( -4.597 1.637 -6.092) 7.805 19.872 ( 0.937 2.677 -0.201) 2.844 20.554 ( 1.599 1.449 -4.998) 5.444 22.057 ( -3.769 -5.811 -0.592) 6.951 ======================= Grid point 77 (64/294) ======================= q-point: ( 0.17 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( -7.002 12.488 7.159) 16.007 3.260 ( -4.146 2.873 2.059) 5.448 3.525 ( 3.039 0.678 1.576) 3.489 3.862 ( -3.323 7.219 -3.822) 8.818 4.335 ( 10.380 -6.450 3.434) 12.694 4.698 ( 14.365 -5.652 -2.331) 15.612 5.456 ( -2.061 -6.301 0.656) 6.662 6.202 ( -8.688 -5.101 5.077) 11.282 6.342 ( 6.631 -9.494 -9.638) 15.066 7.624 ( -6.946 -2.390 -0.943) 7.406 7.710 ( -22.082 31.107 1.943) 38.197 8.531 ( -8.524 16.629 10.556) 21.461 9.081 ( 9.095 8.382 -3.442) 12.838 9.312 ( 6.185 -9.005 -0.401) 10.932 9.483 ( 14.166 -2.628 -0.472) 14.416 9.844 ( 4.251 3.427 3.967) 6.749 10.611 ( 6.534 -3.825 -5.252) 9.214 10.802 ( -23.539 -10.172 -12.724) 28.626 11.555 ( -3.632 -11.411 3.214) 12.399 12.609 ( -1.311 -5.729 -0.803) 5.931 13.073 ( 3.344 1.545 1.536) 3.991 13.267 ( 4.127 3.777 4.543) 7.207 14.296 ( -0.726 -6.457 1.740) 6.727 14.552 ( 10.080 -11.025 6.316) 16.219 16.991 ( 4.491 1.999 -7.470) 8.943 17.137 ( 9.177 15.129 19.287) 26.174 19.018 ( -11.663 1.442 -10.965) 16.072 19.924 ( 0.836 5.025 -0.038) 5.095 20.587 ( 3.707 4.600 -7.881) 9.849 21.882 ( -6.700 -10.997 -1.493) 12.964 ======================= Grid point 78 (65/294) ======================= q-point: ( 0.25 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( 0.548 14.489 9.589) 17.383 3.212 ( -3.462 0.505 -1.777) 3.924 3.615 ( 3.467 4.156 3.795) 6.610 3.841 ( -7.082 8.637 1.029) 11.216 4.407 ( 6.068 -7.499 -1.732) 9.801 4.895 ( 15.098 -5.357 -0.998) 16.051 5.285 ( -6.655 -13.811 -2.243) 15.494 6.061 ( -3.214 -5.848 4.074) 7.818 6.297 ( 3.071 -6.312 -6.640) 9.662 7.541 ( -12.769 16.115 6.335) 21.515 7.706 ( -8.808 20.005 0.489) 21.863 8.586 ( -8.944 14.225 7.929) 18.580 9.295 ( 8.511 -9.749 2.024) 13.099 9.333 ( 6.131 6.056 -6.329) 10.692 9.637 ( 5.302 0.280 -1.487) 5.513 9.976 ( -1.234 1.374 8.620) 8.816 10.223 ( -13.732 -6.831 -11.857) 19.386 10.706 ( 8.754 -4.115 -3.823) 10.402 11.483 ( 4.237 -7.882 1.372) 9.054 12.493 ( -3.318 -8.111 -3.791) 9.548 13.150 ( 3.112 -0.424 3.288) 4.547 13.406 ( 3.510 2.655 5.091) 6.730 14.134 ( 0.076 -5.610 -3.712) 6.728 14.817 ( 13.559 -5.448 16.607) 22.121 17.047 ( 6.759 2.399 -12.287) 14.227 17.503 ( 8.849 7.626 16.657) 20.345 18.716 ( -18.812 2.633 -9.099) 21.062 19.975 ( -0.935 5.989 -2.510) 6.561 20.656 ( 3.125 6.861 -7.573) 10.686 21.630 ( -7.222 -14.176 -2.320) 16.078 ======================= Grid point 79 (66/294) ======================= q-point: ( 0.33 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( -4.875 -0.468 0.074) 4.898 3.336 ( 7.564 9.872 5.626) 13.650 3.765 ( 2.834 8.731 6.066) 11.002 3.809 ( -7.016 7.395 2.318) 10.454 4.389 ( 2.700 -7.097 -3.511) 8.366 4.934 ( -8.179 -5.779 -3.965) 10.770 5.091 ( 8.790 -14.416 -1.678) 16.967 6.036 ( 1.307 -3.629 3.476) 5.192 6.285 ( 6.574 -4.172 -2.563) 8.197 7.532 ( -19.449 27.415 4.963) 33.978 7.822 ( 6.338 5.084 4.833) 9.454 8.618 ( -7.073 11.845 5.857) 14.988 9.106 ( -15.961 -11.354 -4.732) 20.151 9.419 ( 5.405 -4.837 -4.302) 8.433 9.677 ( -5.412 12.511 -0.629) 13.646 9.854 ( 4.189 -11.530 -1.298) 12.335 10.302 ( 9.523 6.542 5.147) 12.649 10.786 ( 8.168 -3.524 -4.724) 10.072 11.558 ( 9.681 -3.695 1.954) 10.544 12.305 ( -5.277 -9.490 -5.571) 12.204 13.196 ( 1.519 -2.373 3.945) 4.847 13.468 ( -0.701 2.625 1.665) 3.186 14.216 ( 10.846 3.113 0.221) 11.286 15.028 ( 6.060 -6.468 17.372) 19.503 17.098 ( 8.404 -0.174 -17.163) 19.111 17.771 ( 12.352 -1.626 3.945) 13.069 18.399 ( -23.637 9.759 6.246) 26.325 19.952 ( -4.670 3.905 -6.744) 9.085 20.709 ( 0.091 6.120 -5.117) 7.978 21.386 ( -4.006 -12.819 -2.261) 13.619 ======================= Grid point 80 (67/294) ======================= q-point: ( 0.42 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( -3.120 -0.998 -0.739) 3.358 3.570 ( 7.582 5.792 5.461) 10.994 3.779 ( -4.552 4.500 2.262) 6.788 3.883 ( -1.730 4.147 1.122) 4.631 4.340 ( 1.065 -4.784 -2.801) 5.645 4.765 ( -3.115 -0.417 0.342) 3.162 5.074 ( 2.844 -9.586 -2.826) 10.391 6.042 ( 1.162 -2.226 0.708) 2.609 6.410 ( 11.150 -2.555 1.141) 11.495 7.458 ( -17.317 17.381 1.340) 24.572 8.036 ( 10.927 0.578 7.409) 13.215 8.585 ( -14.712 2.645 -0.672) 14.963 8.758 ( -6.916 1.513 -1.986) 7.352 9.436 ( 2.213 -1.118 -1.725) 3.020 9.623 ( -2.370 -5.234 -2.662) 6.333 9.879 ( 3.129 -0.095 -0.310) 3.146 10.555 ( 8.260 5.484 6.922) 12.092 10.834 ( 3.919 -1.886 -5.214) 6.790 11.707 ( 8.288 -1.805 2.410) 8.818 12.107 ( -4.635 -6.508 -4.583) 9.210 13.212 ( 0.663 -1.758 2.546) 3.164 13.481 ( -1.022 2.501 0.168) 2.707 14.464 ( 11.575 5.552 -0.013) 12.838 15.100 ( -1.136 -5.864 13.513) 14.774 17.100 ( 5.480 -2.708 -14.847) 16.056 17.889 ( 11.126 -7.540 -14.941) 20.097 18.277 ( -16.691 14.658 25.404) 33.746 19.829 ( -6.013 0.431 -7.608) 9.707 20.714 ( -1.359 2.797 -2.451) 3.959 21.249 ( -0.417 -6.480 -1.224) 6.608 ======================= Grid point 81 (68/294) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( 0.000 0.000 0.000) 0.000 3.716 ( 0.000 0.000 0.000) 0.000 3.801 ( -0.000 -0.000 -0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 4.315 ( -0.000 0.000 0.000) 0.000 4.779 ( 0.000 0.000 0.000) 0.000 5.018 ( -0.000 0.000 0.000) 0.000 6.043 ( -0.000 0.000 0.000) 0.000 6.518 ( -0.000 0.000 0.000) 0.000 7.378 ( 0.000 0.000 0.000) 0.000 8.227 ( -0.000 0.000 0.000) 0.000 8.356 ( 0.000 0.000 0.000) 0.000 8.754 ( -0.000 0.000 0.000) 0.000 9.444 ( -0.000 0.000 0.000) 0.000 9.556 ( 0.000 0.000 0.000) 0.000 9.905 ( -0.000 0.000 0.000) 0.000 10.698 ( 0.000 0.000 0.000) 0.000 10.822 ( -0.000 0.000 -0.000) 0.000 11.781 ( -0.000 0.000 0.000) 0.000 12.016 ( 0.000 0.000 0.000) 0.000 13.217 ( 0.000 0.000 0.000) 0.000 13.485 ( -0.000 0.000 0.000) 0.000 14.608 ( 0.000 0.000 0.000) 0.000 15.086 ( 0.000 0.000 0.000) 0.000 17.079 ( 0.000 0.000 0.000) 0.000 17.886 ( -0.000 0.000 0.000) 0.000 18.314 ( -0.000 0.000 0.000) 0.000 19.743 ( 0.000 0.000 0.000) 0.000 20.706 ( -0.000 0.000 0.000) 0.000 21.215 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 162 (69/294) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -0.000 0.000 28.126) 28.126 0.507 ( 0.000 0.000 28.126) 28.126 1.269 ( 0.000 0.000 69.511) 69.511 4.130 ( -0.000 -0.000 -1.812) 1.812 5.147 ( -0.000 -0.000 -12.672) 12.672 5.147 ( 0.000 -0.000 -12.672) 12.672 5.877 ( -0.000 0.000 7.052) 7.052 5.877 ( 0.000 0.000 7.052) 7.052 6.687 ( -0.000 -0.000 -6.022) 6.022 7.584 ( -0.000 0.000 -1.046) 1.046 7.584 ( 0.000 0.000 -1.046) 1.046 8.410 ( -0.000 -0.000 -4.337) 4.337 8.454 ( 0.000 0.000 8.688) 8.688 8.454 ( 0.000 0.000 8.688) 8.688 9.875 ( -0.000 0.000 1.962) 1.962 9.875 ( 0.000 0.000 1.962) 1.962 11.270 ( -0.000 -0.000 -2.199) 2.199 11.594 ( -0.000 -0.000 -3.719) 3.719 12.136 ( -0.000 -0.000 -9.139) 9.139 12.136 ( 0.000 -0.000 -9.139) 9.139 13.696 ( -0.000 0.000 3.975) 3.975 13.696 ( 0.000 0.000 3.975) 3.975 14.024 ( 0.000 0.000 4.559) 4.559 15.374 ( -0.000 0.000 6.662) 6.662 15.374 ( 0.000 0.000 6.662) 6.662 17.711 ( 0.000 0.000 0.660) 0.660 18.367 ( -0.000 -0.000 -4.924) 4.924 18.367 ( 0.000 -0.000 -4.924) 4.924 20.617 ( -0.000 -0.000 -4.272) 4.272 21.874 ( 0.000 0.000 3.273) 3.273 ======================= Grid point 163 (70/294) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 13.067 22.961 16.358) 31.074 1.285 ( 23.321 8.503 32.168) 40.632 2.110 ( 45.275 22.868 44.906) 67.745 4.041 ( -5.339 -2.512 -3.110) 6.670 4.893 ( -8.194 -6.229 -15.990) 19.016 5.170 ( 3.740 -2.630 -10.328) 11.295 5.724 ( -12.251 -5.281 6.072) 14.657 6.006 ( 4.659 -1.218 8.901) 10.121 6.613 ( -33.898 -22.492 27.239) 48.959 6.772 ( -2.418 2.625 0.603) 3.620 7.549 ( -10.414 12.850 1.068) 16.575 7.656 ( 2.246 -0.036 3.200) 3.909 8.549 ( 13.594 -19.467 7.961) 25.042 9.693 ( 14.417 10.178 -13.750) 22.372 9.894 ( -1.236 18.859 -1.598) 18.967 10.029 ( 8.285 4.491 -0.054) 9.424 11.157 ( -7.700 -4.491 -2.877) 9.367 11.273 ( -10.470 -1.826 3.202) 11.100 11.955 ( -4.566 -2.942 -14.827) 15.790 13.042 ( 27.947 21.793 -34.883) 49.727 13.549 ( -9.946 -9.429 3.182) 14.070 13.736 ( -5.364 1.930 6.785) 8.862 14.082 ( 4.426 -0.325 4.719) 6.478 15.283 ( -7.532 -3.419 15.899) 17.923 15.451 ( 8.640 -6.659 7.828) 13.427 18.107 ( -9.446 5.567 -15.906) 19.319 18.441 ( 4.838 7.196 -3.742) 9.445 18.892 ( 59.507 18.061 -42.226) 75.169 20.587 ( -0.681 -0.058 -4.709) 4.758 22.018 ( 8.387 5.695 -5.159) 11.375 ======================= Grid point 164 (71/294) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 20.566 22.618 9.002) 31.868 1.836 ( 13.495 6.025 35.463) 38.419 3.432 ( 54.202 25.385 25.259) 64.963 3.905 ( -4.876 -1.219 -3.170) 5.942 4.580 ( -9.764 -5.932 -14.997) 18.852 5.118 ( 3.745 -7.931 -9.583) 12.991 5.456 ( -17.132 -7.682 6.470) 19.859 6.134 ( 1.225 -1.094 3.978) 4.304 6.197 ( -11.878 -8.604 21.272) 25.838 6.862 ( 2.551 7.578 -6.601) 10.369 7.543 ( -5.592 11.558 3.124) 13.214 7.728 ( 2.502 2.618 3.344) 4.929 8.613 ( 11.054 -16.534 4.060) 20.299 9.738 ( 1.962 -4.082 -3.829) 5.931 10.027 ( -3.832 6.236 3.895) 8.291 10.196 ( 2.607 12.674 -9.746) 16.200 10.986 ( -5.300 1.552 -2.522) 6.071 11.155 ( -8.887 4.852 4.816) 11.212 11.759 ( -3.808 -4.010 -15.458) 16.417 13.186 ( -1.543 9.183 -19.977) 22.040 13.291 ( -9.890 -12.184 4.747) 16.395 13.644 ( -11.402 1.087 6.650) 13.245 14.210 ( 6.914 -0.744 4.569) 8.321 15.231 ( -4.925 -9.400 17.768) 20.696 15.626 ( 12.036 -2.294 7.033) 14.128 17.839 ( -12.609 -0.350 -16.066) 20.426 18.601 ( 7.480 8.363 -1.871) 11.375 19.472 ( 30.544 4.190 -32.239) 44.608 20.537 ( -1.630 -0.478 -3.667) 4.042 22.131 ( 4.187 3.549 -6.242) 8.312 ======================= Grid point 165 (72/294) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 21.186 19.095 4.725) 28.910 2.303 ( 12.586 6.399 29.605) 32.800 3.739 ( -4.539 -2.028 -2.827) 5.719 4.208 ( -4.540 -8.204 -6.633) 11.485 4.721 ( 29.853 21.855 8.217) 37.900 5.065 ( 12.857 -6.318 -7.568) 16.202 5.115 ( -19.295 -9.065 8.163) 22.828 5.941 ( -7.498 -9.069 6.752) 13.567 6.387 ( 9.279 8.264 11.361) 16.837 6.868 ( -3.303 2.503 -7.113) 8.232 7.636 ( 0.813 11.131 5.859) 12.605 7.834 ( 2.921 7.448 1.846) 8.210 8.666 ( 9.424 -10.662 1.247) 14.285 9.677 ( -1.061 -7.458 -2.173) 7.840 9.953 ( -11.271 2.875 0.166) 11.633 10.110 ( -7.440 -3.949 -9.189) 12.466 10.949 ( -4.332 -2.692 -0.721) 5.151 11.207 ( -3.301 25.983 -2.604) 26.321 11.605 ( 1.221 -5.844 -5.063) 7.828 13.029 ( -10.628 2.991 -8.419) 13.884 13.096 ( -3.928 -10.641 0.868) 11.376 13.496 ( -12.121 1.867 5.711) 13.528 14.306 ( 1.675 -3.425 7.429) 8.350 15.153 ( -4.927 -9.933 15.218) 18.829 15.878 ( 14.444 -0.589 8.439) 16.739 17.516 ( -12.210 -3.354 -16.377) 20.701 18.810 ( 8.264 9.257 -0.943) 12.445 19.690 ( 16.174 -1.253 -23.337) 28.421 20.497 ( -0.218 -0.247 -2.537) 2.558 22.156 ( 0.757 1.296 -5.337) 5.544 ======================= Grid point 166 (73/294) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 18.302 15.811 1.227) 24.217 2.731 ( 13.485 5.543 22.997) 27.230 3.666 ( -2.423 0.636 -0.441) 2.543 3.965 ( -7.659 -6.193 -9.690) 13.817 4.728 ( -18.866 -5.456 3.677) 19.981 4.797 ( -5.972 -12.273 -1.675) 13.751 5.505 ( 8.224 2.605 0.662) 8.652 5.977 ( 15.909 0.057 10.223) 18.911 6.715 ( -8.548 -3.478 -7.074) 11.628 6.824 ( 22.199 18.053 8.968) 29.986 7.833 ( 3.975 12.212 4.592) 13.639 7.993 ( 5.492 9.756 2.490) 11.469 8.739 ( 7.864 -4.376 -0.568) 9.017 9.518 ( -6.045 -12.187 -0.222) 13.605 9.720 ( -13.029 -3.917 -2.601) 13.851 9.929 ( -7.592 0.862 -4.630) 8.934 10.781 ( -9.391 -5.694 0.531) 10.995 11.272 ( -2.944 12.911 -17.592) 22.019 11.729 ( 7.599 6.902 8.758) 13.493 12.830 ( -7.438 -3.166 -7.465) 11.003 12.977 ( -2.483 -4.382 2.377) 5.569 13.369 ( -9.797 3.720 4.684) 11.479 14.264 ( -5.883 -10.966 12.420) 17.582 15.084 ( -4.430 -2.593 7.832) 9.364 16.185 ( 16.294 -1.693 12.054) 20.339 17.191 ( -10.603 -5.104 -14.370) 18.573 19.016 ( 6.652 8.897 -2.363) 11.357 19.742 ( 8.146 -2.619 -15.706) 17.885 20.498 ( 1.462 0.697 -1.489) 2.200 22.129 ( -0.539 -0.195 -4.997) 5.029 ======================= Grid point 167 (74/294) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 11.874 11.828 -0.111) 16.760 3.129 ( 15.189 3.056 16.508) 22.640 3.587 ( -9.163 -1.515 -1.321) 9.381 3.785 ( -1.826 -1.838 -6.566) 7.059 4.381 ( -17.230 -6.692 6.667) 19.649 4.601 ( -3.761 -7.040 -3.581) 8.748 5.508 ( -0.580 -1.830 -2.169) 2.897 6.292 ( 7.616 1.517 8.396) 11.437 6.473 ( -6.804 -4.374 -7.031) 10.717 7.452 ( 23.522 14.991 3.509) 28.113 7.974 ( -1.790 11.898 -2.513) 12.292 8.238 ( 9.923 4.392 7.186) 13.014 8.833 ( 6.191 1.014 -1.295) 6.406 9.288 ( -6.733 -10.685 2.799) 12.936 9.482 ( -11.531 -3.204 0.771) 11.993 9.778 ( -6.470 -2.316 -3.442) 7.686 10.604 ( -5.759 -2.651 -0.284) 6.347 11.259 ( 0.412 8.178 -9.515) 12.554 11.915 ( 2.660 4.808 0.368) 5.507 12.665 ( -1.954 -4.899 -6.153) 8.104 12.948 ( 0.228 -1.458 2.105) 2.571 13.311 ( -6.069 7.120 2.357) 9.648 14.072 ( -9.808 -17.144 14.248) 24.354 15.048 ( -5.408 5.806 1.171) 8.020 16.484 ( 12.633 -7.589 12.759) 19.493 16.945 ( -4.342 -1.391 -6.186) 7.685 19.135 ( 2.460 5.303 -8.045) 9.945 19.769 ( 6.226 -0.430 -6.121) 8.742 20.534 ( 1.020 2.760 0.679) 3.020 22.087 ( 0.276 -1.084 -5.349) 5.465 ======================= Grid point 168 (75/294) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( -5.697 -4.334 -1.303) 7.276 3.362 ( -10.036 -0.375 6.380) 11.898 3.494 ( 9.967 0.190 4.223) 10.826 3.732 ( 1.535 3.183 -4.854) 6.004 4.192 ( -3.866 -1.912 4.808) 6.459 4.556 ( 3.197 2.430 0.316) 4.029 5.481 ( 0.978 -1.131 -2.842) 3.212 6.139 ( -10.388 -4.261 -9.614) 14.782 6.583 ( 6.670 5.324 7.712) 11.503 7.691 ( -6.693 0.861 -5.168) 8.500 8.027 ( -1.317 4.023 -1.681) 4.554 8.325 ( 1.319 -12.076 1.669) 12.262 8.973 ( 5.939 4.252 4.564) 8.613 9.168 ( -7.309 0.218 1.968) 7.572 9.354 ( 2.311 2.097 5.172) 6.040 9.707 ( 3.126 -1.121 -1.767) 3.762 10.554 ( -0.483 1.984 0.426) 2.085 11.339 ( 3.700 8.427 -1.390) 9.308 11.888 ( -3.878 -2.873 -8.384) 9.674 12.618 ( 5.269 -3.506 -5.298) 8.254 12.976 ( 2.473 -1.038 3.558) 4.456 13.321 ( -3.198 8.570 -1.243) 9.231 13.840 ( -7.025 -15.348 11.358) 20.345 15.017 ( -7.784 10.581 -2.067) 13.297 16.465 ( -2.893 -14.844 1.359) 15.184 17.084 ( 12.175 4.188 13.460) 18.626 19.099 ( -2.026 1.043 -12.818) 13.019 19.875 ( 6.780 2.413 1.253) 7.304 20.587 ( -1.136 5.364 3.700) 6.614 22.061 ( 2.515 -1.573 -6.212) 6.884 ======================= Grid point 169 (76/294) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -18.574 -11.116 -1.850) 21.725 3.077 ( -19.707 -11.723 7.187) 24.030 3.619 ( 3.020 -0.453 -0.074) 3.055 3.901 ( 9.067 13.410 -4.765) 16.875 4.290 ( 11.523 0.594 5.718) 12.877 4.726 ( 8.517 8.037 2.038) 11.887 5.476 ( 1.014 -0.375 -3.643) 3.800 5.893 ( -8.923 -1.687 -8.094) 12.165 6.762 ( 2.281 6.454 4.238) 8.051 7.264 ( -27.674 -16.673 -5.698) 32.807 7.868 ( -11.556 -1.697 -4.165) 12.400 8.238 ( 1.850 -17.661 3.524) 18.103 8.899 ( -9.583 -0.261 0.261) 9.590 9.339 ( 9.686 12.105 5.522) 16.457 9.580 ( 11.595 5.608 6.549) 14.449 9.817 ( 9.146 2.048 -1.022) 9.428 10.609 ( 2.880 4.509 -0.265) 5.357 11.498 ( 3.622 5.760 -0.798) 6.850 11.678 ( -5.482 -5.404 -7.788) 10.950 12.688 ( 9.930 -3.387 -5.543) 11.866 13.056 ( 4.346 0.941 5.947) 7.425 13.311 ( -4.115 2.085 0.449) 4.635 13.762 ( 4.078 -3.260 3.060) 6.052 14.964 ( -10.279 12.680 -3.096) 16.614 16.261 ( -5.040 -15.104 2.527) 16.122 17.430 ( 13.977 1.831 16.129) 21.421 18.964 ( -5.249 0.636 -12.707) 13.763 20.033 ( 7.136 2.828 4.015) 8.663 20.627 ( -4.613 6.178 5.576) 9.516 22.069 ( 5.104 -1.385 -7.124) 8.873 ======================= Grid point 170 (77/294) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -23.440 -12.374 0.760) 26.517 2.615 ( -24.916 -16.393 6.950) 30.624 3.675 ( 4.462 2.520 -0.604) 5.160 4.140 ( 6.895 12.149 -4.684) 14.734 4.558 ( 14.152 1.926 1.495) 14.361 4.929 ( 5.896 0.139 0.514) 5.920 5.414 ( -7.378 0.096 -1.540) 7.538 5.744 ( -4.424 1.659 -1.577) 4.982 6.425 ( -28.458 -17.165 -7.573) 34.086 6.983 ( 2.075 4.175 1.671) 4.953 7.661 ( -9.060 -2.041 -0.963) 9.337 8.068 ( -2.851 -18.361 2.878) 18.803 8.776 ( -7.788 2.496 0.910) 8.229 9.619 ( 7.148 9.218 4.114) 12.369 9.842 ( 8.153 4.475 4.371) 10.276 10.001 ( 11.403 3.189 -0.526) 11.852 10.715 ( 5.254 5.458 -4.318) 8.720 11.285 ( -9.413 -10.344 -10.850) 17.700 11.819 ( 7.959 9.752 8.825) 15.373 12.772 ( 9.227 -4.496 -6.668) 12.240 13.223 ( 7.296 4.943 3.898) 9.637 13.285 ( 0.940 -0.493 5.421) 5.524 13.905 ( 10.936 2.946 -1.546) 11.431 14.885 ( -11.708 13.085 -3.331) 17.872 16.049 ( -5.932 -15.148 4.444) 16.864 17.752 ( 14.115 -1.527 13.041) 19.278 18.801 ( -8.115 3.094 -10.211) 13.405 20.207 ( 7.282 2.552 5.524) 9.490 20.601 ( -8.211 3.604 4.192) 9.899 22.115 ( 6.577 -0.240 -7.557) 10.021 ======================= Grid point 171 (78/294) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -25.521 -13.983 6.873) 29.901 2.049 ( -29.247 -17.321 7.639) 34.839 3.795 ( 3.322 2.386 -1.568) 4.380 4.059 ( -26.139 -12.752 -7.374) 30.003 4.673 ( 0.850 6.545 -7.103) 9.696 4.912 ( 11.337 -10.064 5.903) 16.268 5.439 ( 2.379 10.907 9.416) 14.604 5.743 ( 0.324 3.089 -0.288) 3.119 5.970 ( -6.675 -6.405 -9.787) 13.467 7.046 ( -1.511 3.344 0.648) 3.727 7.540 ( -4.716 1.140 1.213) 5.001 7.867 ( -3.110 -15.855 2.366) 16.329 8.678 ( -7.307 0.618 1.255) 7.440 9.775 ( 3.069 3.953 -1.099) 5.123 9.949 ( 0.038 1.202 3.928) 4.108 10.217 ( 8.328 3.017 -4.145) 9.780 10.802 ( 4.953 4.164 -8.598) 10.761 11.073 ( -1.648 -3.160 0.557) 3.608 12.093 ( 6.222 8.223 11.015) 15.088 12.860 ( 10.188 1.170 -8.435) 13.278 13.308 ( 6.750 -1.216 -3.114) 7.532 13.506 ( 8.988 6.888 9.910) 15.048 14.108 ( 9.856 1.299 1.637) 10.075 14.801 ( -9.331 11.932 -4.104) 15.693 15.830 ( -7.154 -14.336 5.308) 16.878 18.021 ( 14.501 -4.485 7.820) 17.075 18.640 ( -10.432 6.495 -7.161) 14.223 20.380 ( 5.204 1.112 9.268) 10.688 20.474 ( -8.500 -0.169 -4.101) 9.439 22.180 ( 5.995 1.230 -7.968) 10.048 ======================= Grid point 172 (79/294) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -24.062 -16.086 20.582) 35.516 1.439 ( -32.765 -14.181 10.788) 37.296 2.903 ( -59.006 -35.664 -3.427) 69.031 3.990 ( 6.228 3.614 -1.818) 7.427 4.846 ( 10.926 10.241 -8.367) 17.154 5.087 ( 11.131 -3.176 4.264) 12.336 5.668 ( 4.286 6.246 13.230) 15.245 5.797 ( 3.917 1.887 3.960) 5.881 5.853 ( 0.108 0.878 -8.464) 8.510 6.983 ( -6.876 -1.296 -0.884) 7.053 7.540 ( -2.966 8.495 1.857) 9.187 7.713 ( -1.049 -11.668 2.483) 11.975 8.554 ( -4.774 -6.486 0.664) 8.080 9.798 ( 0.691 0.966 -6.744) 6.848 9.952 ( -3.313 -0.032 5.195) 6.161 10.200 ( -4.669 0.298 -7.532) 8.867 10.960 ( 10.697 7.407 -1.743) 13.127 11.120 ( 3.936 2.187 1.272) 4.679 12.266 ( 0.470 2.943 8.285) 8.804 13.044 ( 12.623 9.584 -11.685) 19.691 13.425 ( 10.451 -1.303 -1.282) 10.610 13.745 ( 5.828 6.598 4.550) 9.910 14.212 ( -1.921 -1.313 5.285) 5.774 14.804 ( 2.432 7.085 -1.424) 7.625 15.612 ( -7.633 -12.235 5.548) 15.451 18.231 ( 13.124 -5.735 1.407) 14.392 18.502 ( -11.118 9.580 -4.350) 15.307 20.221 ( -10.485 -8.423 -12.460) 18.334 20.541 ( 5.347 2.617 2.763) 6.563 22.221 ( 3.338 1.797 -11.251) 11.873 ======================= Grid point 175 (80/294) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 23.537 29.491 20.029) 42.719 1.398 ( -16.115 39.212 19.689) 46.743 2.317 ( -2.540 25.985 56.635) 62.363 4.026 ( 0.793 -6.064 -2.725) 6.695 4.764 ( -1.880 -11.621 -17.037) 20.708 5.116 ( -3.368 3.519 -12.127) 13.068 5.834 ( 3.327 -5.671 5.423) 8.523 5.998 ( -5.098 -2.415 6.200) 8.382 6.685 ( 0.225 -0.774 -1.193) 1.440 6.839 ( -0.847 -41.001 23.059) 47.049 7.603 ( 16.897 -2.010 1.910) 17.123 7.718 ( 2.096 2.864 4.834) 5.997 8.547 ( -30.184 -0.142 7.549) 31.113 9.486 ( 12.825 16.637 -12.998) 24.703 9.898 ( 9.224 3.938 -0.630) 10.049 10.058 ( -0.092 8.569 3.387) 9.215 11.133 ( -0.601 -9.241 -3.630) 9.947 11.239 ( 3.717 -10.823 -1.006) 11.487 12.168 ( 0.391 8.747 -9.909) 13.224 12.623 ( 3.510 25.375 -31.621) 40.695 13.634 ( -5.431 -7.764 3.184) 9.996 13.796 ( 7.374 2.040 3.110) 8.259 14.118 ( -2.179 4.382 4.631) 6.737 15.268 ( 0.181 -14.694 14.086) 20.356 15.606 ( -9.590 9.704 13.015) 18.855 18.149 ( 13.909 0.160 -13.907) 19.669 18.285 ( 1.787 10.740 -12.710) 16.736 18.675 ( -15.953 48.018 -25.584) 56.699 20.561 ( 0.391 0.484 -5.487) 5.522 21.963 ( 0.502 2.225 -0.527) 2.341 ======================= Grid point 176 (81/294) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -4.020 34.991 17.919) 39.518 1.938 ( 13.787 20.378 26.572) 36.213 3.147 ( 31.664 30.596 36.397) 57.127 3.941 ( -2.787 -3.463 -1.263) 4.621 4.496 ( -3.503 -10.934 -17.612) 21.024 4.982 ( -3.530 -3.739 -10.845) 12.002 5.694 ( -13.211 -6.596 6.556) 16.157 6.040 ( 6.979 -3.303 1.012) 7.787 6.405 ( -12.574 -22.573 21.331) 33.506 6.877 ( 3.702 10.271 -4.781) 11.919 7.718 ( -2.930 2.670 6.515) 7.626 7.828 ( 1.038 7.944 2.213) 8.312 8.332 ( 2.825 -7.144 2.934) 8.224 9.640 ( 3.946 -0.450 -5.099) 6.463 10.098 ( 7.115 2.927 -2.930) 8.233 10.186 ( 0.985 7.581 1.535) 7.797 10.988 ( -2.009 -7.042 -4.005) 8.346 11.235 ( 5.238 -5.367 2.855) 8.025 11.932 ( -20.898 13.517 -15.068) 29.095 12.921 ( 19.183 0.358 -18.239) 26.472 13.421 ( -10.440 -8.555 1.480) 13.578 13.897 ( -2.417 3.498 5.791) 7.184 14.147 ( -1.380 5.047 2.247) 5.694 15.204 ( -0.073 -20.406 19.109) 27.957 15.645 ( -3.465 10.972 10.626) 15.662 17.933 ( -10.217 -5.982 -14.724) 18.893 18.602 ( 8.466 11.290 -2.604) 14.350 18.909 ( 19.229 29.177 -34.713) 49.255 20.535 ( -0.640 0.613 -4.259) 4.350 22.017 ( 5.626 -1.476 -3.449) 6.762 ======================= Grid point 177 (82/294) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 3.763 30.248 13.294) 33.254 2.421 ( 7.241 12.626 28.917) 32.373 3.752 ( -0.432 -2.634 -0.559) 2.727 4.112 ( 6.150 -4.090 2.738) 7.877 4.447 ( 27.730 19.585 2.626) 34.050 4.821 ( -1.226 -7.735 -10.688) 13.250 5.429 ( -16.633 -4.598 7.393) 18.774 5.980 ( -4.865 -13.184 1.451) 14.128 6.364 ( 6.518 1.829 13.674) 15.258 6.939 ( -3.506 5.060 -3.141) 6.911 7.741 ( -1.148 3.928 8.372) 9.319 7.948 ( 0.352 13.869 0.244) 13.875 8.415 ( 11.143 -5.987 1.655) 12.757 9.617 ( -0.454 -3.859 -3.718) 5.378 10.080 ( -4.034 -7.622 -10.710) 13.751 10.172 ( -8.146 5.464 3.545) 10.429 10.936 ( 1.583 -2.822 -1.968) 3.788 11.372 ( 11.463 -1.364 7.119) 13.563 11.629 ( -18.760 11.587 -15.584) 27.001 12.970 ( 3.211 -8.309 -9.135) 12.760 13.193 ( -9.352 -5.435 1.451) 10.913 13.834 ( -15.643 9.181 5.940) 19.086 14.236 ( 6.264 -0.915 3.887) 7.428 15.111 ( -0.020 -24.267 22.165) 32.866 15.821 ( 4.773 10.995 6.865) 13.813 17.597 ( -12.412 -4.276 -17.243) 21.672 18.809 ( 4.230 15.735 -1.921) 16.406 19.246 ( 20.827 8.909 -26.897) 35.165 20.506 ( -1.184 1.011 -1.921) 2.473 22.051 ( 5.116 -4.582 -5.768) 8.969 ======================= Grid point 178 (83/294) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 7.384 24.091 9.182) 26.818 2.790 ( 6.388 9.340 22.804) 25.458 3.698 ( -1.398 0.133 -0.017) 1.405 3.954 ( -5.124 -8.208 -7.227) 12.077 4.662 ( 0.505 -10.716 -9.807) 14.535 4.961 ( -5.898 -10.331 6.174) 13.402 5.391 ( 10.581 14.784 6.628) 19.351 5.841 ( 3.453 -5.767 5.007) 8.382 6.660 ( 10.523 5.695 -0.518) 11.977 6.855 ( -3.012 3.630 7.303) 8.694 7.880 ( 4.583 7.347 7.701) 11.588 8.106 ( 1.012 17.287 -0.623) 17.328 8.572 ( 9.934 -0.379 1.307) 10.027 9.506 ( -4.705 -7.359 -1.452) 8.855 9.799 ( -8.950 -10.350 -8.566) 16.143 10.091 ( -9.943 6.033 -0.659) 11.648 10.872 ( -5.758 -5.439 1.390) 8.041 11.364 ( -8.656 5.271 -14.816) 17.950 11.630 ( 11.816 0.697 4.657) 12.720 12.809 ( -4.302 -10.724 -7.373) 13.707 13.051 ( -5.788 -1.339 3.069) 6.687 13.686 ( -16.677 10.588 5.288) 20.449 14.298 ( -0.636 -6.592 7.108) 9.715 15.043 ( 3.496 -21.812 21.322) 30.702 16.074 ( 9.022 9.870 5.952) 14.636 17.258 ( -12.190 -2.323 -15.941) 20.201 19.005 ( 4.151 13.683 -5.302) 15.250 19.452 ( 14.245 3.575 -16.984) 22.454 20.506 ( -0.006 2.407 0.663) 2.497 22.029 ( 3.688 -6.626 -7.228) 10.476 ======================= Grid point 179 (84/294) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 7.823 19.394 4.970) 21.495 3.087 ( 7.349 4.220 16.643) 18.676 3.687 ( -4.898 -0.992 0.821) 5.065 3.774 ( -2.464 -1.280 -5.139) 5.841 4.525 ( 0.577 -9.031 -5.123) 10.399 4.645 ( -17.836 -9.215 4.921) 20.670 5.474 ( -1.076 -3.378 -3.846) 5.231 6.145 ( 17.534 2.949 10.523) 20.661 6.506 ( -9.269 -8.471 -7.085) 14.418 7.292 ( 20.131 18.381 7.902) 28.382 8.048 ( 1.823 5.639 2.261) 6.344 8.305 ( 1.404 18.935 1.536) 19.049 8.743 ( 7.839 4.702 0.461) 9.153 9.323 ( -6.889 -9.026 3.164) 11.787 9.558 ( -4.628 -7.147 -4.271) 9.526 9.927 ( -14.187 1.626 -2.497) 14.497 10.695 ( -8.205 -4.056 1.196) 9.230 11.280 ( -0.788 7.180 -8.162) 10.899 11.786 ( 9.511 -8.415 -1.862) 12.835 12.589 ( -3.291 -11.274 -6.525) 13.435 12.990 ( -3.623 1.104 1.631) 4.124 13.572 ( -12.799 11.166 3.497) 17.341 14.162 ( -9.255 -14.052 10.856) 20.024 15.066 ( 4.827 -13.468 15.616) 21.179 16.351 ( 9.215 6.180 5.037) 12.185 17.000 ( -7.660 1.597 -8.336) 11.433 19.104 ( 1.518 7.362 -11.751) 13.949 19.620 ( 9.682 5.851 -5.447) 12.556 20.565 ( 1.525 4.820 3.161) 5.963 21.969 ( 3.420 -7.964 -8.531) 12.162 ======================= Grid point 180 (85/294) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( -4.805 3.982 2.476) 6.714 3.316 ( 10.428 -0.858 10.402) 14.754 3.583 ( -5.709 5.237 0.308) 7.753 3.737 ( -2.251 1.297 -2.970) 3.946 4.343 ( -12.624 -4.582 5.204) 14.402 4.499 ( 4.862 -0.386 -0.546) 4.908 5.410 ( 1.560 -3.938 -5.302) 6.786 6.201 ( -9.647 -6.714 -7.759) 14.084 6.489 ( 12.819 -0.146 8.097) 15.163 7.744 ( 8.956 13.725 0.863) 16.411 8.037 ( -3.485 -3.855 -0.828) 5.263 8.398 ( -10.673 8.799 -2.865) 14.126 8.950 ( 8.365 9.871 4.003) 13.544 9.245 ( 0.642 -1.230 7.599) 7.725 9.440 ( -5.564 -3.270 3.783) 7.480 9.674 ( -7.464 -2.034 -5.768) 9.650 10.602 ( -2.482 1.100 1.378) 3.045 11.348 ( 3.405 7.216 -1.144) 8.061 11.752 ( 3.620 -14.802 -7.689) 17.068 12.445 ( 3.165 -8.926 -7.256) 11.930 12.972 ( -0.641 0.922 1.404) 1.797 13.513 ( -8.867 10.592 0.464) 13.822 13.915 ( -10.437 -14.722 11.467) 21.381 15.100 ( 2.327 -8.992 10.308) 13.875 16.432 ( -3.675 0.087 -4.591) 5.881 17.042 ( 7.314 7.113 8.513) 13.287 19.074 ( -1.306 3.459 -12.728) 13.254 19.807 ( 6.867 6.969 0.407) 9.792 20.678 ( 1.320 7.806 5.277) 9.514 21.899 ( 4.909 -8.809 -9.998) 14.201 ======================= Grid point 181 (86/294) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( -15.946 -11.281 3.542) 19.851 3.388 ( -17.167 -3.183 5.637) 18.347 3.536 ( 5.316 0.258 2.252) 5.779 3.832 ( 8.010 11.838 -7.671) 16.221 4.246 ( -0.172 -1.106 8.791) 8.862 4.664 ( 9.197 7.788 0.133) 12.052 5.390 ( 3.898 -3.293 -5.342) 7.387 5.953 ( -7.681 -4.432 -7.161) 11.398 6.712 ( 10.277 -0.263 3.966) 11.019 7.608 ( -28.624 -3.178 -5.851) 29.388 7.996 ( -0.790 -8.248 4.229) 9.302 8.181 ( -11.952 2.002 -2.129) 12.304 9.081 ( -9.820 3.963 1.060) 10.642 9.343 ( 7.202 10.996 5.299) 14.173 9.487 ( 9.016 1.624 7.377) 11.762 9.687 ( 8.084 1.892 -0.924) 8.353 10.624 ( 0.830 3.838 0.731) 3.995 11.446 ( 1.937 -5.197 -7.101) 9.010 11.613 ( 2.955 -5.385 0.714) 6.184 12.440 ( 9.474 -4.804 -8.812) 13.802 13.012 ( 3.701 0.150 2.667) 4.564 13.455 ( -8.603 3.311 2.571) 9.570 13.748 ( -2.931 -4.549 5.875) 7.987 15.089 ( 0.016 -8.226 6.741) 10.635 16.284 ( -8.809 -0.259 -4.660) 9.969 17.335 ( 11.136 5.101 10.899) 16.395 19.002 ( -3.518 3.964 -8.506) 10.022 19.976 ( 5.961 5.241 2.205) 8.238 20.788 ( -2.325 8.096 5.232) 9.916 21.859 ( 8.098 -7.754 -10.939) 15.664 ======================= Grid point 182 (87/294) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -20.326 -15.047 6.535) 26.120 3.019 ( -26.664 -3.218 6.182) 27.559 3.610 ( 4.208 -0.203 0.151) 4.215 4.047 ( 11.271 9.477 -10.350) 17.999 4.389 ( 9.089 -0.387 10.231) 13.691 4.873 ( 5.854 7.499 -4.031) 10.332 5.406 ( 4.092 -1.286 -3.297) 5.410 5.794 ( -3.754 -1.889 -3.922) 5.749 6.847 ( -21.113 -3.150 1.297) 21.386 6.919 ( -11.584 -9.317 -3.819) 15.349 7.820 ( -10.794 -6.586 4.565) 13.443 8.054 ( -7.771 -0.849 1.375) 7.937 8.949 ( -9.351 5.297 -2.330) 10.997 9.598 ( 7.449 5.482 3.804) 10.000 9.747 ( 13.935 5.212 4.100) 15.433 9.863 ( 7.745 2.930 3.413) 8.957 10.694 ( 2.181 6.044 -2.196) 6.791 11.222 ( -4.285 -14.104 -8.423) 16.978 11.802 ( 10.111 4.724 9.062) 14.376 12.528 ( 10.572 -0.107 -10.681) 15.029 13.136 ( 8.378 0.469 3.276) 9.008 13.348 ( -5.912 -3.042 7.397) 9.946 13.803 ( 5.627 4.910 0.227) 7.471 15.025 ( -1.583 -9.415 3.854) 10.296 16.103 ( -10.434 -0.186 -2.029) 10.631 17.599 ( 10.719 1.883 5.848) 12.355 18.935 ( -6.331 5.773 -2.614) 8.958 20.138 ( 6.952 3.629 2.951) 8.379 20.777 ( -7.548 1.904 0.391) 7.794 21.901 ( 10.541 -2.651 -9.652) 14.536 ======================= Grid point 183 (88/294) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -22.999 -16.518 12.325) 30.882 2.545 ( -31.914 -3.220 7.930) 33.042 3.709 ( 6.921 1.653 -0.903) 7.172 4.190 ( 1.817 2.525 -11.363) 11.781 4.601 ( 9.434 -1.038 5.751) 11.098 4.840 ( -8.753 -0.276 -5.869) 10.542 5.496 ( 6.046 4.022 3.677) 8.139 5.725 ( -0.753 -3.965 -3.600) 5.409 6.153 ( -28.282 -3.654 0.135) 28.517 7.024 ( 7.292 -2.069 0.840) 7.626 7.634 ( -7.417 -6.315 6.610) 11.772 7.917 ( -10.103 2.588 1.725) 10.571 8.815 ( -9.469 1.584 -5.364) 10.998 9.727 ( 4.640 -0.023 -1.623) 4.916 9.999 ( 1.718 1.682 9.812) 10.102 10.045 ( 13.839 4.381 -3.333) 14.894 10.774 ( 1.448 8.751 -4.476) 9.935 11.042 ( -0.802 -7.527 1.391) 7.697 12.066 ( 11.016 -0.772 10.074) 14.948 12.671 ( 10.596 9.822 -11.854) 18.688 13.219 ( 1.187 -3.052 0.048) 3.275 13.424 ( 10.452 0.114 10.410) 14.752 13.991 ( 9.295 5.901 2.008) 11.191 14.906 ( -2.186 -11.468 0.404) 11.681 15.913 ( -11.603 -0.617 0.231) 11.622 17.806 ( 11.267 0.974 0.080) 11.309 18.860 ( -9.429 5.636 1.660) 11.110 20.309 ( 7.794 2.927 1.980) 8.558 20.581 ( -10.443 -6.515 -7.425) 14.375 22.019 ( 9.051 2.976 -7.809) 12.319 ======================= Grid point 184 (89/294) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -22.935 -14.830 22.504) 35.389 2.020 ( -34.023 -4.772 11.131) 36.115 3.626 ( -42.715 -5.242 -3.786) 43.202 3.912 ( -0.918 0.362 -0.496) 1.104 4.680 ( 8.320 3.745 -12.478) 15.458 4.895 ( 10.567 -0.101 5.811) 12.059 5.622 ( 3.029 -9.556 -5.566) 11.466 5.708 ( 9.787 4.154 8.975) 13.913 5.948 ( -6.365 6.106 4.014) 9.691 7.062 ( -1.572 -2.086 0.222) 2.622 7.562 ( 0.658 -6.851 8.748) 11.131 7.819 ( -9.459 9.285 1.903) 13.390 8.585 ( -9.858 -5.903 -9.162) 14.696 9.753 ( 1.944 -0.207 -5.022) 5.389 10.046 ( -2.771 -0.989 8.835) 9.313 10.225 ( 4.734 5.436 -4.092) 8.289 10.883 ( 4.244 8.691 -0.332) 9.677 11.062 ( 4.681 -1.665 3.795) 6.252 12.220 ( 7.091 -9.117 4.115) 12.261 12.922 ( 10.619 17.640 -10.661) 23.186 13.251 ( 7.466 -2.438 1.897) 8.080 13.667 ( 10.392 0.365 7.039) 12.557 14.203 ( 5.805 1.685 6.739) 9.053 14.771 ( 1.801 -10.347 -2.022) 10.696 15.714 ( -12.039 -1.265 1.774) 12.235 17.998 ( 11.757 2.077 -4.538) 12.772 18.748 ( -10.828 2.709 3.345) 11.652 20.208 ( -12.012 -9.443 -24.303) 28.707 20.482 ( 5.960 0.772 4.670) 7.610 22.131 ( 4.605 5.858 -8.342) 11.185 ======================= Grid point 187 (90/294) ======================= q-point: ( 0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 0.644 31.419 13.729) 34.293 2.016 ( -7.786 18.370 30.382) 36.347 3.259 ( -34.334 37.664 35.872) 62.323 3.902 ( 3.840 -5.617 -3.767) 7.777 4.542 ( 4.505 -10.720 -15.075) 19.039 5.135 ( -2.227 4.334 -12.023) 12.973 5.650 ( 13.084 -7.354 4.352) 15.628 6.104 ( -5.822 -4.305 5.097) 8.855 6.459 ( 13.216 -25.256 24.695) 37.714 6.731 ( -0.837 5.616 -8.253) 10.017 7.407 ( 2.970 -2.886 2.646) 4.914 7.787 ( 0.350 6.626 3.732) 7.612 8.958 ( -0.810 8.433 10.166) 13.234 9.549 ( -23.557 -1.603 -13.748) 27.323 9.812 ( 4.200 1.684 -0.855) 4.605 10.090 ( 3.754 0.380 2.472) 4.511 10.964 ( 6.775 -11.643 -2.885) 13.776 11.095 ( 0.938 -6.249 -3.093) 7.036 11.927 ( 17.904 8.566 -10.652) 22.525 12.792 ( -15.537 -2.455 -19.055) 24.709 13.579 ( 12.063 -0.050 3.578) 12.582 13.653 ( 3.714 -9.167 3.627) 10.535 14.227 ( -2.907 3.970 3.498) 6.037 15.254 ( -2.532 -12.458 13.673) 18.670 15.916 ( 0.013 18.323 16.893) 24.922 17.838 ( 12.996 0.634 -15.647) 20.350 18.381 ( -12.627 -0.437 -7.623) 14.756 19.251 ( -19.528 35.849 -30.545) 50.985 20.519 ( 1.002 0.409 -5.289) 5.399 22.005 ( -5.324 -2.007 -2.119) 6.071 ======================= Grid point 188 (91/294) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 15.876 30.046 17.617) 38.278 2.265 ( -5.940 26.063 20.105) 33.448 3.461 ( -6.620 28.738 33.112) 44.341 3.894 ( 3.159 -3.224 0.242) 4.520 4.361 ( -3.282 -7.496 -14.155) 16.350 4.993 ( -7.284 -0.935 -11.494) 13.640 5.758 ( 4.211 -7.553 2.799) 9.089 5.949 ( -5.041 -7.491 2.392) 9.341 6.425 ( -1.587 -22.997 20.501) 30.849 6.844 ( 7.526 9.252 -5.628) 13.187 7.609 ( 16.566 -0.042 3.356) 16.903 7.878 ( -1.144 7.354 4.897) 8.909 8.598 ( -28.496 -0.383 1.258) 28.526 9.539 ( 6.327 3.652 -5.147) 8.936 9.938 ( 9.432 1.165 -2.828) 9.916 10.236 ( 5.694 4.847 6.752) 10.074 10.899 ( 0.858 -11.490 -1.997) 11.694 11.058 ( 5.218 -4.839 -5.106) 8.759 12.189 ( 1.559 6.440 -12.305) 13.976 12.532 ( 5.878 -0.816 -13.334) 14.595 13.487 ( -7.480 -10.919 3.329) 13.648 13.807 ( 9.636 -4.432 2.787) 10.966 14.286 ( 1.047 8.791 0.818) 8.890 15.173 ( -3.197 -13.874 15.508) 21.052 16.043 ( -15.033 15.853 18.560) 28.667 17.875 ( -2.584 -7.796 -15.391) 17.445 18.342 ( 16.851 9.542 -9.437) 21.542 19.134 ( -14.493 34.657 -27.568) 46.596 20.517 ( 0.820 1.476 -4.290) 4.610 21.919 ( 0.176 -5.538 -1.048) 5.639 ======================= Grid point 189 (92/294) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -2.288 27.922 17.169) 32.858 2.608 ( 6.430 18.709 20.298) 28.344 3.713 ( 2.266 -0.920 3.576) 4.333 3.984 ( 3.643 -7.359 -3.563) 8.951 4.336 ( 8.788 18.260 7.662) 21.665 4.790 ( -5.943 -1.687 -8.498) 10.506 5.651 ( -10.365 -3.687 6.651) 12.856 5.866 ( 2.035 -11.821 -2.486) 12.250 6.373 ( 2.131 -5.810 14.656) 15.909 6.987 ( 2.564 4.861 -2.800) 6.168 7.876 ( 3.162 6.002 3.712) 7.733 7.935 ( 4.808 0.546 7.504) 8.929 8.342 ( -4.340 6.183 -1.978) 7.809 9.571 ( 0.582 -0.412 -4.881) 4.933 9.983 ( 0.249 -6.295 -7.281) 9.628 10.362 ( -3.526 5.394 7.001) 9.516 10.836 ( 4.389 -5.819 -0.867) 7.340 11.120 ( 11.869 -7.144 -3.147) 14.205 11.961 ( -18.011 6.212 -13.981) 23.632 12.688 ( 14.720 -9.301 -5.121) 18.150 13.279 ( -7.717 -7.432 2.064) 10.911 13.911 ( 8.132 -8.186 6.862) 13.425 14.375 ( -5.866 16.084 -1.705) 17.205 15.058 ( -4.512 -17.713 17.215) 25.109 16.050 ( -11.872 13.627 17.034) 24.835 17.597 ( -7.216 -8.711 -14.978) 18.769 18.753 ( 22.666 11.143 -7.899) 26.463 19.092 ( -6.996 26.660 -25.094) 37.275 20.518 ( -0.072 1.654 -1.954) 2.561 21.876 ( 3.870 -8.651 -3.326) 10.044 ======================= Grid point 190 (93/294) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( -1.409 26.603 9.861) 28.407 2.948 ( 2.131 9.892 22.378) 24.560 3.714 ( -0.098 -0.587 1.403) 1.524 3.875 ( 0.489 -7.813 -7.313) 10.713 4.487 ( 0.126 -7.761 -10.257) 12.863 4.894 ( 7.907 0.621 8.348) 11.515 5.540 ( -6.966 5.067 6.372) 10.714 5.762 ( 1.505 -6.129 1.428) 6.471 6.548 ( 9.194 3.685 2.642) 10.251 6.976 ( -3.311 0.721 5.063) 6.092 7.938 ( 1.050 6.838 5.632) 8.921 8.171 ( 9.408 9.179 2.412) 13.364 8.460 ( 7.065 8.597 0.963) 11.169 9.511 ( -2.999 -2.121 -4.268) 5.631 9.768 ( -7.685 -11.485 -8.382) 16.162 10.326 ( -9.837 6.725 2.278) 12.132 10.865 ( 1.780 -5.112 2.410) 5.925 11.235 ( 13.177 -10.171 -5.183) 17.434 11.655 ( -13.298 3.444 -10.205) 17.112 12.682 ( 1.724 -14.509 -3.088) 14.934 13.144 ( -5.052 -1.792 2.453) 5.895 13.983 ( 1.106 -5.178 7.832) 9.454 14.370 ( -11.117 15.004 -2.240) 18.807 14.926 ( -0.907 -22.606 22.052) 31.594 16.146 ( -1.194 10.961 11.727) 16.097 17.322 ( -8.630 -2.708 -14.015) 16.680 19.090 ( -2.706 17.821 -19.513) 26.564 19.161 ( 18.793 11.306 -6.580) 22.898 20.533 ( 0.343 2.494 0.824) 2.649 21.827 ( 4.657 -10.950 -6.096) 13.370 ======================= Grid point 191 (94/294) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 1.611 23.180 5.419) 23.860 3.146 ( 0.555 3.530 16.724) 17.101 3.748 ( -1.910 -0.215 2.815) 3.409 3.770 ( -0.758 -0.485 -2.981) 3.114 4.364 ( 3.033 -8.593 -7.613) 11.874 4.812 ( -10.460 -10.319 3.350) 15.070 5.443 ( -3.760 -7.501 -3.603) 9.132 5.980 ( 13.576 6.375 10.341) 18.218 6.508 ( -6.329 -9.507 -7.423) 13.621 7.225 ( 14.710 16.168 10.076) 24.069 8.076 ( 3.173 6.226 0.870) 7.042 8.449 ( 6.918 17.429 3.704) 19.114 8.685 ( 7.417 9.899 2.404) 12.601 9.383 ( -6.778 -4.938 0.229) 8.389 9.497 ( -4.418 -10.025 -8.140) 13.649 10.197 ( -14.514 5.173 -0.147) 15.409 10.778 ( -6.068 -6.794 2.195) 9.370 11.265 ( 5.766 -3.785 -8.744) 11.138 11.528 ( 2.692 -6.323 -3.721) 7.815 12.484 ( -3.522 -16.525 -3.481) 17.251 13.083 ( -4.389 1.511 1.198) 4.794 13.924 ( -11.196 4.053 4.930) 12.888 14.247 ( -10.615 -2.247 0.502) 10.862 14.905 ( 5.774 -20.494 23.266) 31.539 16.343 ( 5.114 10.032 6.387) 12.945 17.115 ( -8.183 4.644 -8.914) 12.961 19.080 ( 0.017 8.958 -18.502) 20.557 19.515 ( 12.128 13.344 -0.310) 18.034 20.599 ( 2.380 4.782 3.300) 6.279 21.745 ( 4.461 -12.691 -8.572) 15.951 ======================= Grid point 192 (95/294) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( -1.728 -3.108 5.114) 6.229 3.317 ( -0.330 15.063 9.563) 17.846 3.666 ( -0.894 2.979 -1.341) 3.387 3.799 ( -3.531 1.889 1.239) 4.192 4.367 ( 7.547 -2.796 -1.210) 8.139 4.542 ( -12.669 -5.824 2.815) 14.225 5.303 ( 0.089 -7.852 -6.054) 9.915 6.229 ( -7.780 -8.148 -7.142) 13.339 6.303 ( 12.884 -1.800 7.721) 15.128 7.670 ( 14.348 11.425 5.701) 19.207 8.111 ( -4.188 4.539 -4.439) 7.606 8.683 ( -7.301 17.702 -0.158) 19.149 8.929 ( 9.637 11.838 4.463) 15.904 9.259 ( -1.521 -4.776 6.664) 8.339 9.388 ( 4.474 -5.056 -3.080) 7.420 9.915 ( -21.473 0.782 -2.337) 21.614 10.655 ( -3.166 -2.271 0.904) 4.000 11.285 ( 7.744 -7.794 -8.050) 13.620 11.499 ( 3.161 -7.375 0.248) 8.028 12.272 ( -0.038 -13.507 -5.023) 14.411 13.031 ( -4.035 1.957 -0.331) 4.497 13.795 ( -12.489 7.383 1.018) 14.544 14.020 ( -10.608 -10.321 5.564) 15.811 14.947 ( 6.500 -20.149 17.864) 27.701 16.500 ( -0.857 9.197 -3.541) 9.892 17.093 ( 0.628 9.825 3.375) 10.408 19.046 ( 0.070 4.828 -13.327) 14.175 19.796 ( 6.528 11.587 2.219) 13.483 20.745 ( 4.120 8.846 4.976) 10.954 21.635 ( 5.150 -14.295 -11.034) 18.778 ======================= Grid point 193 (96/294) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( -13.618 -9.698 5.085) 17.475 3.457 ( 1.247 3.781 6.968) 8.025 3.682 ( -9.609 -2.239 1.717) 10.014 3.790 ( 3.770 12.808 -5.415) 14.408 4.329 ( -6.164 -3.916 4.945) 8.820 4.568 ( 10.689 6.176 0.452) 12.353 5.239 ( 4.424 -5.750 -5.586) 9.156 5.981 ( -7.123 -6.826 -5.871) 11.480 6.516 ( 11.719 -4.019 2.085) 12.564 7.854 ( -2.029 -11.414 1.683) 11.715 8.040 ( -9.102 16.462 -2.160) 18.935 8.507 ( -20.535 5.351 -0.810) 21.236 9.241 ( 4.062 9.271 4.525) 11.087 9.332 ( 8.617 4.049 4.139) 10.382 9.478 ( -1.391 -0.607 7.527) 7.678 9.605 ( -3.770 3.303 -5.250) 7.258 10.639 ( 1.147 0.788 0.111) 1.395 11.211 ( 5.742 -18.425 -10.018) 21.744 11.538 ( 4.530 -2.030 5.904) 7.714 12.208 ( 7.019 -3.408 -7.229) 10.636 12.998 ( -0.902 0.716 -0.052) 1.153 13.666 ( -11.026 1.420 3.090) 11.539 13.822 ( -6.737 -3.608 4.113) 8.679 14.937 ( 5.251 -21.576 12.481) 25.473 16.457 ( -9.144 10.089 -8.193) 15.891 17.302 ( 7.024 8.615 6.946) 13.108 19.031 ( 0.013 4.242 -5.244) 6.745 19.978 ( 3.189 7.502 2.975) 8.678 20.916 ( 0.043 9.324 3.718) 10.038 21.543 ( 9.618 -12.367 -12.080) 19.783 ======================= Grid point 194 (97/294) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( -19.038 -11.153 8.342) 23.588 3.425 ( -18.123 0.927 4.570) 18.713 3.562 ( 0.591 -0.329 2.648) 2.733 3.894 ( 6.008 4.256 -9.822) 12.275 4.340 ( 4.634 -0.598 7.916) 9.192 4.799 ( 9.061 7.501 -5.672) 13.059 5.274 ( 6.798 -1.498 -1.892) 7.214 5.807 ( -4.496 -3.955 -3.066) 6.727 6.659 ( 12.055 -5.851 -1.220) 13.455 7.452 ( -32.692 -6.206 -2.455) 33.366 7.960 ( -12.312 -1.770 7.083) 14.314 8.300 ( -12.683 8.943 1.595) 15.600 9.165 ( -12.761 4.778 -3.276) 14.015 9.482 ( 8.085 -3.999 0.238) 9.023 9.616 ( 10.316 8.249 0.555) 13.220 9.796 ( 10.033 3.666 8.824) 13.855 10.692 ( 3.366 2.872 -1.647) 4.722 11.073 ( 2.094 -11.606 -4.898) 12.770 11.661 ( 11.147 -6.689 5.768) 14.222 12.333 ( 9.936 8.379 -8.811) 15.702 13.032 ( 4.788 -0.807 1.822) 5.186 13.494 ( -10.039 -5.210 7.796) 13.737 13.807 ( 0.828 5.821 0.892) 5.947 14.860 ( 3.843 -23.354 7.814) 24.925 16.329 ( -12.271 10.108 -6.694) 17.250 17.511 ( 6.928 5.588 1.060) 8.964 19.057 ( -1.878 4.289 3.291) 5.723 20.102 ( 3.772 4.273 2.590) 6.261 20.875 ( -7.272 -3.951 -5.866) 10.144 21.634 ( 14.009 1.016 -6.592) 15.516 ======================= Grid point 195 (98/294) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -22.024 -10.426 13.381) 27.800 3.059 ( -28.037 -0.790 4.177) 28.357 3.618 ( 4.455 0.224 1.127) 4.601 3.998 ( 10.964 -0.530 -8.946) 14.160 4.503 ( 8.618 0.892 6.423) 10.785 4.895 ( 1.432 5.063 -10.832) 12.042 5.402 ( 7.779 1.055 2.429) 8.217 5.703 ( -3.502 -3.866 -1.402) 5.402 6.750 ( -33.182 -0.101 -0.621) 33.188 6.818 ( 3.898 -6.212 2.779) 7.843 7.776 ( -10.961 -4.283 8.191) 14.338 8.195 ( -12.987 10.019 2.525) 16.596 8.960 ( -12.212 0.163 -7.865) 14.527 9.580 ( 8.882 -5.436 -1.827) 10.573 9.830 ( 12.432 2.594 -4.316) 13.413 10.022 ( 5.686 1.165 11.621) 12.990 10.775 ( 5.297 2.349 -2.735) 6.407 11.035 ( -1.025 2.530 3.895) 4.756 11.831 ( 14.789 -10.392 3.603) 18.431 12.564 ( 10.572 16.687 -9.867) 22.081 13.139 ( 5.912 -2.359 0.672) 6.401 13.388 ( -1.266 -4.704 12.143) 13.084 13.950 ( 6.148 9.039 3.142) 11.374 14.715 ( 2.588 -25.013 3.156) 25.344 16.167 ( -14.131 8.263 -4.115) 16.879 17.662 ( 7.996 4.180 -5.195) 10.411 19.057 ( -6.603 1.606 8.003) 10.499 20.223 ( 5.853 2.203 -0.684) 6.292 20.598 ( -9.158 -10.704 -11.973) 18.488 21.866 ( 11.222 7.888 -4.050) 14.302 ======================= Grid point 196 (99/294) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -22.168 -6.451 20.727) 31.026 2.564 ( -31.819 -4.911 5.274) 32.625 3.712 ( 5.759 0.391 -1.171) 5.890 4.091 ( 3.101 1.241 -5.876) 6.759 4.672 ( 1.199 1.522 5.636) 5.960 4.845 ( -4.299 9.781 -9.303) 14.167 5.448 ( -2.193 -13.582 -1.637) 13.855 5.647 ( 5.413 2.444 3.449) 6.868 6.262 ( -22.289 6.145 8.451) 24.616 6.954 ( 9.510 -4.616 0.253) 10.574 7.636 ( -7.822 -2.021 7.955) 11.338 8.102 ( -11.774 9.491 2.702) 15.363 8.661 ( -12.953 -5.620 -10.335) 17.498 9.647 ( 6.409 -3.075 -3.697) 8.012 10.031 ( 12.236 -1.727 -1.432) 12.441 10.131 ( 2.014 0.066 4.781) 5.188 10.881 ( 6.922 1.450 -2.248) 7.421 11.106 ( -3.649 9.169 10.540) 14.438 11.954 ( 11.545 -12.277 -2.271) 17.005 12.858 ( 10.723 16.509 -9.175) 21.719 13.138 ( 3.142 -5.252 -0.099) 6.121 13.543 ( 9.989 -2.901 14.286) 17.671 14.194 ( 5.790 9.667 6.549) 13.033 14.542 ( 5.576 -20.619 0.537) 21.367 15.971 ( -15.161 4.913 -1.596) 16.017 17.800 ( 10.313 2.416 -10.247) 14.737 18.955 ( -10.746 -3.174 8.560) 14.100 20.145 ( -7.484 -6.037 -25.630) 27.374 20.435 ( 2.885 -0.366 4.517) 5.372 22.069 ( 6.723 8.435 -4.876) 11.837 ======================= Grid point 199 (100/294) ======================= q-point: ( 0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -12.301 24.972 9.144) 29.301 2.443 ( -5.987 12.157 29.438) 32.407 3.747 ( 3.750 -4.506 -3.776) 6.973 4.233 ( -0.123 -10.438 -12.714) 16.450 4.420 ( -28.519 28.181 21.549) 45.518 5.124 ( 0.278 5.916 -9.931) 11.563 5.364 ( 15.562 -5.234 6.222) 17.558 6.111 ( 5.461 -6.010 5.581) 9.854 6.316 ( -3.315 -6.577 13.806) 15.648 6.735 ( -2.860 -1.766 -8.979) 9.587 7.446 ( -7.054 -2.984 5.626) 9.503 7.864 ( 0.760 7.112 4.243) 8.316 8.970 ( 12.687 13.579 4.448) 19.109 9.771 ( 0.929 -1.479 0.433) 1.799 9.856 ( -16.133 -5.247 -9.712) 19.548 9.986 ( 3.013 -5.795 -3.537) 7.427 10.748 ( -1.858 -13.705 -4.864) 14.661 11.013 ( 2.763 -4.570 -0.974) 5.428 11.720 ( 8.503 4.507 -4.449) 10.602 12.819 ( -6.848 -8.307 -12.031) 16.145 13.351 ( 15.411 0.444 1.759) 15.517 13.539 ( 4.892 -8.569 7.158) 12.190 14.327 ( -4.358 0.440 2.208) 4.905 15.235 ( 1.220 -13.983 15.245) 20.722 16.175 ( 4.680 24.130 17.690) 30.284 17.539 ( 11.849 -1.079 -14.599) 18.833 18.571 ( -15.840 -0.107 -7.953) 17.725 19.586 ( -9.286 21.359 -24.560) 33.847 20.483 ( 0.516 1.678 -4.788) 5.100 22.047 ( -5.192 -4.688 -3.436) 7.794 ======================= Grid point 200 (101/294) ======================= q-point: ( 0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 7.850 33.156 11.625) 36.001 2.656 ( -3.360 13.687 23.817) 27.674 3.737 ( 2.494 -4.335 -2.561) 5.619 3.995 ( -8.192 -5.912 -3.620) 10.732 4.460 ( -12.070 19.352 14.456) 27.003 5.040 ( -6.556 1.206 -10.813) 12.703 5.568 ( 10.435 -2.920 2.713) 11.170 6.022 ( -8.558 -6.796 4.935) 11.991 6.323 ( 3.168 -15.081 15.463) 21.831 6.735 ( 8.173 2.476 -6.619) 10.804 7.473 ( 4.922 4.147 6.350) 9.042 7.985 ( 1.003 9.508 3.354) 10.132 9.080 ( -27.538 -2.481 0.187) 27.651 9.446 ( 4.073 3.920 -6.110) 8.324 9.800 ( 5.453 -1.602 -2.344) 6.147 10.154 ( 11.839 1.623 6.061) 13.399 10.676 ( 7.287 -13.263 -4.657) 15.833 10.988 ( -0.727 -1.802 -2.930) 3.516 11.928 ( 16.345 2.172 -6.418) 17.694 12.549 ( -9.873 -3.794 -11.142) 15.363 13.491 ( -0.967 -11.245 4.561) 12.173 13.600 ( 10.422 -2.495 1.705) 10.851 14.301 ( 2.128 1.394 1.414) 2.910 15.204 ( -2.337 -11.070 16.403) 19.927 16.522 ( -5.005 20.745 21.337) 30.177 17.677 ( 10.360 1.667 -16.851) 19.851 18.259 ( -8.041 -0.835 -9.485) 12.463 19.483 ( -11.530 24.428 -25.330) 37.031 20.495 ( 1.107 3.315 -4.195) 5.460 21.886 ( -4.372 -8.301 -1.242) 9.463 ======================= Grid point 201 (102/294) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 12.135 27.770 14.348) 33.531 2.860 ( -2.219 13.873 14.780) 20.392 3.711 ( -0.618 -2.920 1.055) 3.166 3.831 ( 0.156 -8.663 -7.361) 11.369 4.533 ( -5.863 9.010 8.529) 13.722 4.859 ( -7.541 1.242 -4.893) 9.075 5.679 ( 5.337 -4.914 -0.820) 7.301 5.861 ( -10.356 1.427 8.457) 13.446 6.332 ( 3.788 -8.181 10.822) 14.085 6.890 ( 10.100 -0.167 -2.661) 10.446 7.718 ( 12.606 6.050 6.721) 15.514 8.098 ( -2.510 9.055 4.567) 10.448 8.573 ( -21.147 0.451 -4.281) 21.580 9.525 ( 2.019 1.031 -4.569) 5.100 9.874 ( 3.969 -3.524 -3.219) 6.208 10.412 ( 9.779 2.482 9.787) 14.056 10.638 ( 7.057 -13.213 -2.685) 15.218 10.939 ( 0.221 -0.456 -6.058) 6.079 12.091 ( 0.210 0.551 -15.009) 15.021 12.366 ( 5.296 -7.423 -0.148) 9.120 13.338 ( -6.494 -8.046 2.969) 10.757 13.720 ( 8.777 -7.911 3.447) 12.309 14.447 ( 7.930 6.905 0.958) 10.559 15.126 ( -6.830 -9.585 13.760) 18.107 16.634 ( -20.635 19.199 23.412) 36.641 17.524 ( -6.061 -8.303 -15.874) 18.912 18.403 ( 22.202 8.938 -10.976) 26.330 19.370 ( -11.578 23.532 -23.594) 35.277 20.522 ( 0.579 3.255 -2.118) 3.926 21.745 ( -0.837 -10.789 -1.181) 10.885 ======================= Grid point 202 (103/294) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( -0.211 11.231 5.462) 12.490 3.185 ( 3.597 19.411 18.734) 27.216 3.706 ( 1.588 -1.097 3.099) 3.651 3.736 ( 1.593 -4.425 -7.316) 8.698 4.432 ( -6.667 -5.045 -8.083) 11.629 4.857 ( 2.503 -1.504 7.070) 7.650 5.583 ( -2.051 -13.858 -2.333) 14.202 5.869 ( -6.815 12.834 11.191) 18.342 6.453 ( 7.331 3.177 0.588) 8.012 6.990 ( 4.988 -2.737 3.997) 6.953 8.028 ( 5.836 7.429 2.104) 9.679 8.093 ( 1.054 5.367 7.462) 9.252 8.488 ( 2.875 11.131 -1.266) 11.566 9.501 ( -1.075 -0.464 -6.002) 6.115 9.757 ( -6.981 -8.588 -4.632) 11.998 10.536 ( -5.087 4.635 4.039) 7.980 10.693 ( 13.978 -13.491 4.108) 19.856 10.926 ( 5.113 -3.613 -7.413) 9.703 11.833 ( -13.696 0.164 -14.767) 20.142 12.447 ( 8.529 -14.568 2.416) 17.053 13.211 ( -4.146 -2.695 2.299) 5.453 13.810 ( 9.372 -9.967 6.012) 14.944 14.639 ( 2.626 12.124 -0.866) 12.435 14.949 ( -11.291 -11.663 10.775) 19.484 16.543 ( -21.818 12.637 21.167) 32.921 17.317 ( -2.945 -2.663 -9.769) 10.545 18.813 ( 22.937 9.467 -16.295) 29.686 19.297 ( -6.520 20.455 -14.928) 26.149 20.554 ( 0.537 3.047 0.538) 3.141 21.632 ( 1.630 -12.309 -2.882) 12.747 ======================= Grid point 203 (104/294) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 3.414 5.613 1.347) 6.707 3.419 ( -5.677 13.700 15.114) 21.174 3.740 ( 3.274 1.077 -1.435) 3.733 3.776 ( 2.661 2.850 4.007) 5.591 4.231 ( -3.024 -5.945 -8.764) 11.013 4.851 ( -2.961 -7.918 4.242) 9.458 5.384 ( -3.462 -13.523 -3.838) 14.478 5.986 ( 1.523 7.181 10.866) 13.113 6.454 ( -3.420 -6.970 -8.539) 11.541 7.215 ( 12.034 13.512 9.222) 20.309 8.069 ( 2.272 3.810 -2.192) 4.948 8.432 ( 13.816 11.778 8.153) 19.902 8.713 ( 7.467 14.472 2.243) 16.438 9.399 ( -4.089 -3.725 -8.582) 10.210 9.506 ( -9.715 -7.426 -0.953) 12.265 10.467 ( -10.402 5.851 0.117) 11.935 10.751 ( 4.100 -14.328 4.896) 15.686 10.925 ( 8.386 -10.872 -8.567) 16.184 11.578 ( -8.549 3.316 -8.853) 12.746 12.349 ( -1.279 -18.202 0.661) 18.259 13.162 ( -2.935 0.355 1.315) 3.236 13.893 ( 7.611 -11.003 5.583) 14.497 14.579 ( -21.200 8.438 -8.307) 24.283 14.821 ( 2.120 -11.089 16.975) 20.387 16.506 ( -7.912 8.369 17.077) 20.598 17.229 ( -4.760 6.215 -5.373) 9.495 19.003 ( 5.885 7.110 -23.470) 25.219 19.472 ( 10.167 17.541 -0.170) 20.275 20.618 ( 2.415 4.010 2.796) 5.452 21.519 ( 2.004 -13.406 -5.096) 14.481 ======================= Grid point 204 (105/294) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( 0.402 -2.894 3.882) 4.858 3.540 ( 0.487 12.823 2.554) 13.084 3.732 ( -7.621 0.855 4.760) 9.026 3.877 ( 0.735 6.488 2.574) 7.018 4.190 ( 8.004 -2.450 -3.196) 8.960 4.687 ( -9.953 -5.552 1.993) 11.570 5.189 ( -1.440 -11.774 -5.031) 12.885 6.161 ( 7.127 -2.245 7.395) 10.513 6.224 ( -6.169 -6.910 -6.858) 11.526 7.607 ( 10.851 12.622 5.453) 17.515 8.134 ( 3.775 4.319 -5.140) 7.702 8.829 ( 12.839 14.020 7.980) 20.617 8.990 ( 3.392 17.772 1.732) 18.175 9.238 ( -0.557 -7.166 -6.341) 9.585 9.310 ( -6.936 -5.314 2.713) 9.149 10.275 ( -19.221 3.686 -1.035) 19.599 10.652 ( -1.325 -9.280 0.476) 9.386 10.890 ( 11.138 -19.102 -9.121) 23.919 11.511 ( -2.148 3.204 -0.606) 3.904 12.144 ( -2.461 -13.743 -0.509) 13.971 13.115 ( -4.040 1.315 -0.907) 4.344 13.897 ( 1.388 -10.309 4.079) 11.173 14.231 ( -19.120 1.672 -5.497) 19.965 14.830 ( -0.426 -11.692 14.478) 18.614 16.605 ( -1.856 8.316 8.622) 12.122 17.228 ( -2.728 11.608 -0.186) 11.926 18.989 ( 2.429 4.136 -15.678) 16.395 19.809 ( 9.207 13.869 2.269) 16.800 20.763 ( 6.557 7.697 3.807) 10.804 21.374 ( 1.203 -14.983 -7.476) 16.787 ======================= Grid point 205 (106/294) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( -6.515 -7.110 4.170) 10.506 3.630 ( -3.932 -1.588 1.646) 4.549 3.651 ( -1.595 4.476 1.587) 5.010 3.956 ( -4.049 12.468 3.136) 13.479 4.325 ( 7.034 -2.326 -3.921) 8.382 4.513 ( -3.579 -1.126 2.809) 4.688 5.091 ( 3.557 -5.517 -3.340) 7.365 5.992 ( -5.947 -6.693 -4.319) 9.940 6.321 ( 8.113 -3.332 1.822) 8.957 7.773 ( 1.927 -4.649 2.070) 5.442 8.258 ( 2.119 16.160 -3.031) 16.578 8.897 ( -20.289 4.663 -0.330) 20.821 9.180 ( 5.044 -3.746 -1.737) 6.519 9.246 ( 12.170 7.266 4.538) 14.883 9.410 ( 11.145 5.907 7.363) 14.606 9.924 ( -24.247 3.874 -2.775) 24.711 10.584 ( 2.227 -5.859 -1.853) 6.536 10.833 ( 10.982 -18.902 -7.023) 22.961 11.485 ( -0.365 -6.884 2.475) 7.324 12.086 ( 3.798 2.345 -1.498) 4.708 13.049 ( -4.110 1.144 -1.408) 4.492 13.796 ( -4.737 -9.761 4.044) 11.579 13.969 ( -11.235 2.826 -3.188) 12.015 14.765 ( -0.345 -16.481 11.262) 19.964 16.643 ( -6.404 9.339 -1.504) 11.423 17.352 ( 2.153 10.835 2.990) 11.444 19.007 ( 3.765 2.719 -4.645) 6.568 20.029 ( 2.977 8.093 2.905) 9.100 21.008 ( 4.257 12.361 3.028) 13.419 21.199 ( 5.849 -16.034 -9.554) 19.560 ======================= Grid point 206 (107/294) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( -13.529 -7.190 6.443) 16.620 3.591 ( -2.186 0.055 4.213) 4.747 3.642 ( -1.667 -0.149 1.978) 2.591 3.916 ( -12.628 4.029 -5.699) 14.428 4.288 ( 2.982 -3.700 1.434) 4.964 4.641 ( 10.777 1.671 -4.696) 11.874 5.166 ( 6.873 3.414 0.507) 7.691 5.848 ( -5.209 -1.612 -0.351) 5.464 6.410 ( 9.266 -5.527 -2.293) 11.030 7.675 ( -7.192 -7.895 1.441) 10.777 8.340 ( -16.772 14.390 0.803) 22.114 8.593 ( -13.902 2.113 4.356) 14.721 9.207 ( 5.731 -6.236 -3.659) 9.226 9.432 ( 1.959 -3.664 -1.107) 4.299 9.600 ( -8.941 3.801 -6.990) 11.969 9.732 ( 7.901 8.598 13.879) 18.138 10.588 ( 5.961 -5.009 -2.775) 8.266 10.870 ( 12.048 -4.355 -2.344) 13.024 11.438 ( 5.303 -11.510 1.855) 12.808 12.254 ( 7.819 12.791 -3.794) 15.464 13.006 ( -0.919 0.118 1.080) 1.423 13.626 ( -7.715 -8.947 5.302) 12.949 13.887 ( -2.860 6.434 -0.381) 7.052 14.644 ( 0.120 -20.282 6.972) 21.447 16.575 ( -10.190 9.831 -4.801) 14.951 17.484 ( 3.016 6.197 -2.231) 7.244 19.104 ( 3.673 2.120 6.231) 7.537 20.119 ( 0.820 3.379 1.110) 3.650 20.867 ( -7.276 -12.262 -9.362) 17.057 21.419 ( 15.206 10.502 -0.361) 18.483 ======================= Grid point 207 (108/294) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -18.348 -4.842 11.159) 22.013 3.495 ( -23.560 0.123 0.425) 23.564 3.602 ( 0.258 0.538 3.835) 3.881 3.768 ( 8.045 -4.338 -5.573) 10.705 4.387 ( 8.391 0.111 0.981) 8.449 4.756 ( 8.696 -2.071 -8.596) 12.402 5.333 ( 6.169 5.496 1.575) 8.411 5.770 ( -5.943 1.296 3.226) 6.885 6.534 ( 13.080 -3.663 -2.214) 13.762 7.372 ( -26.477 -0.944 1.797) 26.555 8.052 ( -20.502 0.032 8.812) 22.316 8.523 ( -11.766 10.883 3.027) 16.310 9.093 ( -9.686 -6.166 -8.703) 14.408 9.365 ( 5.422 -5.630 -2.490) 8.203 9.621 ( 10.014 -2.364 -5.282) 11.566 9.976 ( 7.460 -1.258 11.263) 13.568 10.641 ( 6.785 -4.084 -0.898) 7.970 11.101 ( 8.126 13.580 2.161) 15.972 11.489 ( 13.091 -11.316 1.141) 17.342 12.493 ( 9.465 14.591 -8.914) 19.543 13.052 ( 3.980 -0.436 4.290) 5.869 13.464 ( -5.896 -7.564 8.046) 12.519 13.989 ( 3.801 11.110 4.014) 12.410 14.467 ( -0.083 -22.979 2.723) 23.140 16.443 ( -12.843 8.181 -4.332) 15.831 17.547 ( 4.584 1.658 -8.691) 9.965 19.194 ( -1.813 -0.795 11.974) 12.137 20.147 ( 2.187 -0.658 -6.395) 6.791 20.569 ( -7.753 -9.809 -7.258) 14.457 21.751 ( 12.141 11.716 -1.520) 16.941 ======================= Grid point 208 (109/294) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -19.706 -0.355 16.894) 25.958 3.027 ( -27.994 -5.224 -0.531) 28.482 3.649 ( 2.117 0.753 2.216) 3.156 3.903 ( 12.026 -0.080 -4.222) 12.746 4.559 ( 11.342 0.364 1.212) 11.412 4.818 ( 8.430 -1.878 -8.323) 11.994 5.457 ( 0.964 1.119 3.076) 3.412 5.696 ( -7.654 3.644 3.947) 9.351 6.720 ( 13.206 -2.530 -1.780) 13.564 6.881 ( -35.484 6.904 6.603) 36.747 7.843 ( -12.244 -0.657 9.315) 15.399 8.409 ( -14.321 6.760 1.612) 15.918 8.769 ( -13.262 -5.915 -8.455) 16.804 9.438 ( 10.680 -5.676 -3.154) 12.499 9.765 ( 13.359 -2.820 -5.153) 14.594 10.093 ( 4.677 -5.977 6.155) 9.771 10.725 ( 8.316 -3.464 0.491) 9.022 11.335 ( -0.717 15.810 6.478) 17.101 11.632 ( 13.151 -7.868 -2.156) 15.476 12.736 ( 12.532 11.035 -10.686) 19.825 13.076 ( -1.618 -4.390 -0.168) 4.681 13.469 ( 5.310 -5.471 15.851) 17.589 14.254 ( 5.289 -19.497 0.359) 20.205 14.277 ( 4.874 15.267 8.951) 18.357 16.253 ( -15.046 4.341 -2.447) 15.850 17.573 ( 7.789 -3.272 -14.018) 16.367 19.146 ( -9.225 -4.608 11.577) 15.503 20.036 ( -2.472 -3.599 -21.585) 22.022 20.442 ( -0.903 0.044 3.789) 3.895 22.006 ( 8.219 9.257 -3.478) 12.859 ======================= Grid point 211 (110/294) ======================= q-point: ( 0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -14.754 18.733 5.517) 24.475 2.819 ( -7.385 11.022 23.348) 26.854 3.649 ( 1.221 -2.799 -1.555) 3.427 3.973 ( 6.375 -8.662 -11.250) 15.563 4.785 ( 4.804 -8.290 0.607) 9.601 5.033 ( 13.115 -4.654 3.693) 14.398 5.458 ( -9.181 13.222 1.392) 16.156 6.076 ( -0.828 8.787 9.993) 13.333 6.557 ( -20.396 4.896 6.387) 21.926 6.667 ( -0.415 -7.206 -6.300) 9.580 7.600 ( -9.719 -3.422 4.050) 11.071 7.988 ( -3.529 10.321 6.917) 12.916 8.915 ( 9.621 11.519 0.504) 15.017 9.713 ( 2.820 -9.866 -0.432) 10.270 9.759 ( 12.266 2.038 2.420) 12.667 9.893 ( 1.759 -4.448 -10.244) 11.305 10.766 ( -20.241 -14.495 -13.488) 28.315 10.875 ( 7.711 -5.099 -0.704) 9.271 11.689 ( -1.608 0.050 3.971) 4.284 12.756 ( -1.880 -6.729 -7.350) 10.141 13.138 ( 10.972 0.150 1.234) 11.042 13.419 ( 7.051 -5.403 8.189) 12.082 14.395 ( -2.893 -2.145 2.533) 4.403 15.112 ( 7.449 -15.502 13.644) 21.953 16.456 ( 1.694 24.881 16.881) 30.115 17.260 ( 11.930 -0.280 -10.575) 15.945 18.781 ( -15.159 0.100 -9.107) 17.684 19.708 ( -2.758 12.629 -17.252) 21.558 20.479 ( -0.460 2.965 -4.208) 5.168 22.045 ( -3.567 -5.673 -4.137) 7.875 ======================= Grid point 212 (111/294) ======================= q-point: ( 0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -0.280 28.338 8.238) 29.512 2.952 ( -4.322 8.824 19.608) 21.932 3.643 ( 2.085 -1.957 -1.430) 3.197 3.881 ( 1.245 -10.438 -8.251) 13.363 4.750 ( -0.953 -6.085 0.572) 6.185 5.102 ( -1.763 -2.854 -0.853) 3.461 5.506 ( 1.792 5.279 1.726) 5.836 6.200 ( -0.112 1.364 12.499) 12.574 6.337 ( -16.699 7.137 7.837) 19.779 6.569 ( 3.984 -5.607 -7.159) 9.927 7.549 ( -1.370 4.482 7.173) 8.568 8.096 ( -1.076 11.469 5.129) 12.609 9.234 ( 12.286 10.694 1.285) 16.339 9.560 ( -21.419 -9.062 -8.284) 24.688 9.682 ( 1.099 -6.253 -5.807) 8.604 10.012 ( 11.394 3.568 6.777) 13.729 10.421 ( 2.614 -12.536 -6.720) 14.462 10.928 ( 4.365 -3.552 -1.403) 5.800 11.727 ( 6.293 -1.283 -0.835) 6.476 12.585 ( -6.504 -4.530 -7.739) 11.077 13.309 ( 10.642 -4.529 0.958) 11.605 13.520 ( 2.891 -4.513 7.482) 9.204 14.282 ( -1.523 -4.290 -1.169) 4.700 15.204 ( 4.106 -10.369 18.922) 21.964 16.823 ( 4.885 19.452 13.502) 24.177 17.442 ( 11.772 6.503 -6.599) 14.980 18.410 ( -18.816 -3.019 -12.619) 22.856 19.669 ( -5.271 15.646 -19.625) 25.646 20.497 ( 0.723 5.222 -4.146) 6.707 21.871 ( -5.414 -9.846 -2.506) 11.513 ======================= Grid point 213 (112/294) ======================= q-point: ( 0.33 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 9.376 28.469 8.491) 31.153 3.060 ( -2.233 4.185 11.858) 12.772 3.662 ( 2.150 -0.405 -1.021) 2.414 3.756 ( -1.655 -6.348 -1.343) 6.696 4.643 ( -3.721 -6.609 -4.200) 8.670 4.968 ( -7.395 -4.331 -0.417) 8.580 5.548 ( 3.095 -8.051 -0.798) 8.662 6.217 ( -4.851 -2.936 12.206) 13.458 6.302 ( -8.622 20.012 9.079) 23.606 6.644 ( 12.993 -4.910 -3.659) 14.363 7.707 ( 5.523 9.692 9.246) 14.488 8.223 ( 0.094 10.979 3.620) 11.561 8.947 ( -29.351 -4.747 -7.640) 30.698 9.464 ( 4.440 2.230 -3.696) 6.192 9.723 ( 8.954 -3.468 -1.127) 9.668 10.244 ( 10.126 -6.710 5.818) 13.468 10.408 ( 9.253 -3.774 -1.929) 10.177 10.928 ( 0.082 -1.565 -2.692) 3.115 11.857 ( 12.116 -2.418 -5.216) 13.411 12.373 ( -8.466 -4.614 -4.913) 10.821 13.357 ( -0.967 -7.877 3.972) 8.874 13.539 ( 5.369 -4.924 1.162) 7.377 14.345 ( 9.264 1.363 2.240) 9.628 15.231 ( -3.896 -7.343 16.282) 18.281 17.122 ( 3.754 12.501 10.455) 16.724 17.552 ( -11.884 7.674 -3.197) 14.503 18.121 ( 5.033 -0.426 -12.568) 13.545 19.588 ( -8.081 16.794 -21.340) 28.332 20.541 ( 0.566 5.353 -2.396) 5.892 21.674 ( -4.043 -12.028 -0.947) 12.725 ======================= Grid point 214 (113/294) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( -0.388 -0.113 1.686) 1.734 3.336 ( 10.106 20.562 8.422) 24.411 3.675 ( 0.547 0.474 -0.073) 0.728 3.727 ( -1.215 0.951 5.103) 5.331 4.454 ( -6.694 -5.719 -8.645) 12.339 4.846 ( -1.497 -6.364 4.091) 7.712 5.452 ( -0.285 -13.736 -2.311) 13.932 6.167 ( -5.819 -2.345 9.890) 11.712 6.475 ( -3.807 21.969 0.897) 22.315 6.810 ( 14.191 -4.438 4.529) 15.543 7.999 ( 9.730 11.694 9.792) 18.091 8.279 ( -9.609 4.507 0.313) 10.619 8.562 ( -5.767 5.112 -3.026) 8.279 9.471 ( 0.102 -0.584 -4.813) 4.849 9.747 ( -1.547 -5.526 -2.704) 6.343 10.293 ( 12.373 -15.581 -3.581) 20.216 10.604 ( 7.148 2.470 9.785) 12.367 10.877 ( -2.183 -0.251 -4.597) 5.095 11.881 ( -2.239 -1.571 -15.822) 16.057 12.243 ( 2.068 -9.865 6.133) 11.799 13.261 ( -3.901 -3.705 2.253) 5.833 13.614 ( 7.942 -7.025 3.110) 11.050 14.567 ( 11.511 3.385 2.461) 12.248 15.126 ( -10.849 -5.170 8.461) 14.698 17.205 ( -16.568 -3.232 -6.156) 17.968 17.317 ( -12.118 16.754 20.309) 28.982 18.377 ( 25.306 4.688 -16.038) 30.324 19.489 ( -7.164 16.364 -18.335) 25.598 20.585 ( 0.198 4.450 0.019) 4.455 21.510 ( -1.624 -12.138 -0.308) 12.250 ======================= Grid point 215 (114/294) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 3.425 -1.264 -1.907) 4.119 3.669 ( -2.922 6.394 8.436) 10.981 3.685 ( 6.352 7.138 -0.440) 9.565 3.778 ( 2.422 2.927 4.396) 5.810 4.246 ( -7.463 -2.176 -6.399) 10.069 4.832 ( 1.112 -4.881 5.403) 7.366 5.269 ( -2.592 -14.821 -4.223) 15.628 6.115 ( -3.413 -2.699 7.490) 8.662 6.455 ( -8.375 0.893 -5.745) 10.195 7.161 ( 16.350 13.827 8.402) 23.002 8.097 ( -6.434 1.801 -5.041) 8.370 8.372 ( 12.862 10.286 10.425) 19.492 8.704 ( 8.074 9.807 1.084) 12.749 9.402 ( -3.903 -1.192 -5.652) 6.971 9.588 ( -7.413 -5.352 -1.063) 9.205 10.328 ( 13.113 -16.725 -5.827) 22.038 10.713 ( -4.349 2.283 7.453) 8.926 10.812 ( -0.574 -4.475 -2.604) 5.209 11.683 ( -7.667 3.123 -13.522) 15.855 12.207 ( 0.872 -14.397 5.451) 15.419 13.204 ( -2.021 -0.965 1.116) 2.503 13.690 ( 7.666 -8.713 3.639) 12.162 14.757 ( 5.052 -6.518 8.304) 11.703 14.889 ( -14.578 4.884 -7.933) 17.300 16.926 ( -17.272 3.069 14.563) 22.800 17.383 ( -7.893 12.113 7.928) 16.488 18.687 ( 20.069 1.840 -22.950) 30.542 19.513 ( 2.638 16.270 -7.411) 18.072 20.640 ( 1.167 3.911 2.263) 4.667 21.379 ( -0.957 -11.089 -0.485) 11.141 ======================= Grid point 216 (115/294) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 5.335 -1.962 0.510) 5.707 3.591 ( -4.392 -1.966 -3.772) 6.114 3.888 ( 1.526 3.938 7.639) 8.728 3.904 ( 6.631 5.975 0.654) 8.950 4.121 ( -4.498 3.821 -1.829) 6.179 4.800 ( -5.727 -2.187 4.457) 7.579 5.064 ( -1.622 -12.788 -4.769) 13.744 6.096 ( 0.751 -5.711 2.887) 6.444 6.261 ( -7.833 -1.830 -2.427) 8.402 7.605 ( 11.483 16.096 5.546) 20.535 8.030 ( 3.620 -1.830 -6.906) 8.009 8.756 ( 14.857 9.348 9.092) 19.768 8.934 ( 10.548 2.592 -2.289) 11.100 9.302 ( -5.232 5.551 0.816) 7.672 9.418 ( -9.072 -2.229 -1.058) 9.402 10.324 ( 10.916 -17.326 -7.136) 21.686 10.628 ( -12.301 1.113 4.862) 13.274 10.686 ( -3.536 -8.982 -4.105) 10.489 11.571 ( -3.799 3.004 -6.524) 8.125 12.091 ( -2.536 -8.843 4.790) 10.372 13.167 ( -2.322 -0.019 -1.007) 2.531 13.733 ( 6.070 -10.344 2.065) 12.170 14.494 ( -17.769 -7.560 -1.364) 19.358 14.862 ( -1.617 3.196 -3.300) 4.870 16.864 ( -9.901 5.338 20.580) 23.453 17.406 ( -6.173 12.818 1.390) 14.295 18.798 ( 11.390 -1.288 -19.800) 22.879 19.771 ( 11.169 13.653 -0.950) 17.665 20.741 ( 4.798 4.414 3.333) 7.322 21.250 ( -2.744 -9.283 -0.802) 9.713 ======================= Grid point 217 (116/294) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( -1.885 -3.319 4.446) 5.860 3.490 ( 2.499 -5.822 -7.837) 10.078 3.873 ( -7.723 -0.614 5.323) 9.400 4.092 ( 10.463 2.961 -3.943) 11.566 4.160 ( -0.490 7.672 2.864) 8.204 4.650 ( -12.107 -0.669 1.724) 12.248 4.975 ( 3.776 -3.447 -1.185) 5.248 5.999 ( -3.846 -4.461 -2.659) 6.462 6.227 ( 2.152 -1.380 2.610) 3.653 7.747 ( -2.014 -0.933 -1.617) 2.746 8.212 ( 15.661 7.259 -0.566) 17.271 9.012 ( 6.507 -7.125 -5.029) 10.881 9.111 ( 10.756 2.469 2.201) 11.253 9.217 ( -11.528 2.075 2.490) 11.975 9.419 ( 2.810 14.244 5.596) 15.560 10.255 ( -3.015 -7.514 -5.937) 10.040 10.412 ( -4.690 -10.156 1.275) 11.259 10.559 ( -0.685 -5.799 -2.823) 6.486 11.465 ( -4.545 -5.879 -1.662) 7.615 12.094 ( 1.653 6.141 3.710) 7.363 13.114 ( -3.378 0.928 -2.173) 4.123 13.710 ( 2.604 -11.190 0.163) 11.490 14.159 ( -13.652 -3.131 -2.486) 14.225 14.780 ( -6.432 -3.310 -0.513) 7.251 16.872 ( -9.466 6.209 12.819) 17.102 17.455 ( -1.809 10.708 -2.094) 11.060 18.873 ( 10.387 -1.623 -6.533) 12.378 20.026 ( 7.129 6.739 -1.294) 9.895 20.917 ( 9.135 -1.835 1.968) 9.523 21.122 ( -4.027 1.641 -0.037) 4.348 ======================= Grid point 218 (117/294) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( -8.360 -2.820 4.145) 9.748 3.475 ( 6.427 -6.815 -4.755) 10.506 3.762 ( -5.612 -2.683 3.768) 7.272 4.126 ( -5.247 -5.756 -3.909) 8.714 4.240 ( -0.907 7.261 2.237) 7.652 4.500 ( -1.372 -0.479 -3.038) 3.368 5.105 ( 7.780 7.321 1.269) 10.758 5.929 ( -2.595 2.575 1.273) 3.871 6.254 ( 2.944 -3.202 -0.395) 4.367 7.673 ( -1.010 -5.231 0.086) 5.329 8.528 ( 12.306 7.491 2.364) 14.600 8.863 ( -17.421 -4.882 -2.656) 18.286 9.034 ( 3.639 -7.135 -1.262) 8.108 9.314 ( 2.178 0.522 -1.619) 2.763 9.598 ( 2.250 -0.165 1.173) 2.543 10.033 ( -16.628 5.855 5.451) 18.452 10.385 ( 10.938 -7.503 -4.126) 13.890 10.588 ( 12.048 -1.873 0.508) 12.203 11.342 ( -1.986 -5.106 0.257) 5.484 12.259 ( 4.745 12.255 -0.294) 13.145 13.057 ( -3.362 1.166 -0.407) 3.582 13.612 ( -1.019 -11.369 -0.160) 11.415 13.997 ( -4.643 3.144 0.365) 5.619 14.600 ( -8.030 -8.521 -0.086) 11.709 16.817 ( -10.900 7.184 4.170) 13.704 17.486 ( -0.283 3.628 -6.805) 7.716 19.039 ( 10.282 -0.617 6.428) 12.141 20.108 ( 1.910 0.058 -5.020) 5.371 20.823 ( -6.250 -12.083 0.797) 13.627 21.333 ( 11.204 15.998 0.655) 19.542 ======================= Grid point 219 (118/294) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( -11.766 0.072 6.910) 13.645 3.494 ( 7.647 -7.823 -5.126) 12.080 3.701 ( -1.977 -4.721 3.636) 6.278 3.843 ( -18.511 0.277 -1.006) 18.540 4.299 ( 2.042 2.547 1.304) 3.515 4.519 ( 8.007 -5.674 -6.047) 11.528 5.304 ( 5.826 8.177 -0.805) 10.073 5.950 ( -5.716 7.623 7.047) 11.851 6.305 ( 9.023 -1.646 -2.763) 9.579 7.613 ( -4.969 -1.403 3.294) 6.125 8.476 ( -21.803 -5.761 2.511) 22.690 8.759 ( 1.142 10.672 3.140) 11.183 8.985 ( 1.370 -10.489 -3.305) 11.082 9.264 ( 0.254 -7.575 -6.451) 9.953 9.486 ( -3.408 -5.789 -3.203) 7.443 9.941 ( -1.438 -4.535 5.833) 7.527 10.507 ( 6.029 0.225 1.740) 6.280 10.946 ( 23.401 8.925 2.790) 25.200 11.329 ( 2.093 1.384 0.633) 2.588 12.438 ( 5.607 11.266 -7.239) 14.518 13.046 ( 0.287 0.362 3.780) 3.808 13.481 ( -2.025 -10.478 2.156) 10.887 14.066 ( 2.504 10.785 3.022) 11.477 14.367 ( -7.273 -12.353 0.547) 14.346 16.704 ( -12.575 6.735 0.068) 14.265 17.431 ( 1.010 -4.177 -11.247) 12.040 19.227 ( 5.462 -1.942 12.188) 13.497 20.051 ( -0.056 -3.760 -11.715) 12.304 20.616 ( -8.453 -6.217 4.243) 11.318 21.669 ( 11.502 13.967 -1.495) 18.155 ======================= Grid point 220 (119/294) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -15.078 4.376 12.282) 19.933 3.332 ( -15.925 -9.519 -6.991) 19.826 3.630 ( 3.034 -0.898 1.798) 3.639 3.761 ( 1.311 1.924 2.181) 3.190 4.387 ( 7.763 -1.960 0.960) 8.064 4.567 ( 9.387 -5.937 -6.043) 12.645 5.436 ( 3.999 4.144 -0.816) 5.817 5.950 ( -9.099 8.813 9.569) 15.875 6.474 ( 12.827 0.325 -4.359) 13.552 7.466 ( -20.146 6.173 4.963) 21.647 8.128 ( -16.748 -3.118 6.462) 18.220 8.683 ( -13.939 -3.034 -2.883) 14.553 8.876 ( -8.468 0.425 -0.841) 8.520 9.189 ( 8.459 -8.339 -4.130) 12.576 9.497 ( 10.499 -4.426 -2.676) 11.704 9.942 ( 6.352 -9.720 2.065) 11.793 10.590 ( 4.733 -2.256 1.872) 5.567 11.359 ( 11.415 -3.216 2.337) 12.087 11.481 ( 8.652 19.786 2.121) 21.699 12.580 ( 8.093 7.718 -10.486) 15.330 13.067 ( -0.658 -2.914 0.261) 2.999 13.434 ( 3.267 -6.975 11.308) 13.682 14.050 ( -3.084 -14.912 -3.677) 15.665 14.407 ( 6.612 17.876 11.494) 22.258 16.524 ( -15.056 3.384 -0.809) 15.453 17.324 ( 4.116 -9.781 -14.461) 17.937 19.282 ( -3.553 -4.643 10.265) 11.813 19.921 ( -1.301 -2.069 -15.560) 15.750 20.513 ( -4.293 -0.241 5.980) 7.365 21.936 ( 8.607 10.058 -3.535) 13.702 ======================= Grid point 223 (120/294) ======================= q-point: ( 0.17 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -13.333 13.495 3.323) 19.260 3.174 ( -8.785 9.400 16.068) 20.584 3.607 ( 3.501 -4.852 1.062) 6.077 3.764 ( 2.198 -1.394 -8.666) 9.048 4.535 ( 11.818 -11.538 2.843) 16.759 4.763 ( 15.081 -2.763 -0.460) 15.339 5.517 ( 0.931 -0.904 -2.743) 3.035 6.284 ( -6.079 1.967 6.692) 9.252 6.477 ( 5.376 -9.188 -7.472) 13.006 7.206 ( -28.237 22.004 6.256) 36.340 7.707 ( -8.742 -6.957 -1.211) 11.239 8.278 ( -8.506 15.643 10.570) 20.707 8.891 ( 4.389 8.628 -1.025) 9.734 9.516 ( 8.670 -9.216 -0.462) 12.662 9.535 ( 13.590 -3.536 1.822) 14.160 9.807 ( 3.269 1.061 -2.231) 4.098 10.667 ( 7.843 -5.215 -2.836) 9.836 10.904 ( -18.820 -9.064 -13.440) 24.840 11.763 ( -6.721 -7.017 3.161) 10.218 12.671 ( 1.118 -3.438 -5.358) 6.464 13.034 ( 4.526 2.550 2.428) 5.734 13.311 ( 6.176 -3.550 7.137) 10.084 14.396 ( 4.825 -1.720 6.707) 8.440 14.881 ( 6.203 -18.429 4.425) 19.942 16.792 ( -3.755 20.770 15.976) 26.471 17.020 ( 13.982 2.785 -1.857) 14.378 18.936 ( -10.910 -0.207 -12.436) 16.545 19.758 ( -1.752 9.340 -9.773) 13.631 20.497 ( -1.156 1.650 -1.985) 2.829 22.017 ( -2.935 -5.114 -5.020) 7.744 ======================= Grid point 224 (121/294) ======================= q-point: ( 0.25 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -3.719 21.374 5.636) 22.415 3.198 ( -6.230 3.571 11.471) 13.533 3.631 ( 1.364 -0.295 3.001) 3.310 3.738 ( 0.920 -0.938 -4.524) 4.711 4.577 ( 6.896 -11.006 -3.127) 13.359 4.979 ( 11.947 -4.330 1.619) 12.811 5.471 ( -0.410 -6.205 -3.573) 7.171 6.223 ( -2.971 -6.332 6.936) 9.851 6.397 ( 2.798 -8.420 -8.646) 12.388 7.034 ( -27.816 29.510 10.009) 41.770 7.613 ( 0.686 0.465 3.063) 3.173 8.350 ( -8.474 15.736 9.479) 20.231 9.117 ( 11.718 10.315 -1.715) 15.705 9.513 ( 4.698 -10.360 1.321) 11.451 9.659 ( 1.077 -4.347 -7.757) 8.957 9.940 ( 8.223 6.674 5.315) 11.849 10.360 ( -17.062 -13.029 -9.961) 23.666 10.768 ( 8.064 -4.723 -1.601) 9.482 11.648 ( -0.168 -7.377 1.280) 7.490 12.583 ( -3.087 -4.643 -5.196) 7.622 13.154 ( 6.329 0.697 1.799) 6.616 13.459 ( 6.442 -2.567 8.987) 11.351 14.258 ( -5.266 -9.038 -4.076) 11.227 15.062 ( 15.433 -9.542 17.027) 24.883 16.903 ( 2.052 7.362 -4.874) 9.064 17.389 ( 10.159 13.923 15.385) 23.104 18.621 ( -17.088 -0.013 -13.723) 21.916 19.756 ( -2.702 11.926 -13.606) 18.294 20.513 ( 0.816 4.835 -2.248) 5.395 21.844 ( -5.352 -10.177 -4.157) 12.227 ======================= Grid point 225 (122/294) ======================= q-point: ( 0.33 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( 5.273 22.871 5.051) 24.008 3.171 ( -4.184 -1.827 6.590) 8.017 3.692 ( 0.002 5.199 4.984) 7.202 3.722 ( -0.317 -0.177 0.424) 0.558 4.526 ( 2.722 -10.003 -6.236) 12.098 5.008 ( -3.759 -5.088 -1.640) 6.535 5.376 ( 4.303 -14.001 -2.483) 14.856 6.173 ( 0.594 -7.975 5.197) 9.537 6.375 ( 8.860 -6.246 -3.327) 11.340 6.979 ( -22.744 32.372 10.957) 41.052 7.745 ( 6.636 6.444 6.568) 11.345 8.415 ( -6.386 13.565 7.483) 16.757 9.253 ( -13.591 -8.167 -11.140) 19.378 9.430 ( -4.735 8.434 -5.046) 10.910 9.534 ( 8.223 -5.390 3.041) 10.292 10.075 ( 1.864 -11.663 -0.678) 11.831 10.237 ( 12.357 4.284 5.198) 14.073 10.834 ( 6.000 -4.141 -2.410) 7.678 11.647 ( 7.138 -4.697 -1.634) 8.700 12.425 ( -6.295 -5.893 -4.190) 9.587 13.263 ( 5.607 -2.464 2.324) 6.550 13.501 ( -1.749 -4.246 4.192) 6.218 14.209 ( 7.791 -1.695 0.134) 7.974 15.269 ( 5.236 -7.548 18.413) 20.577 16.989 ( 9.527 1.957 -13.294) 16.472 17.738 ( 8.718 9.773 10.416) 16.733 18.253 ( -22.178 5.423 -4.270) 23.227 19.715 ( -5.340 12.703 -17.599) 22.352 20.573 ( 0.819 6.085 -1.142) 6.245 21.623 ( -4.977 -12.850 -2.360) 13.981 ======================= Grid point 226 (123/294) ======================= q-point: ( 0.42 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( -2.720 -3.778 0.465) 4.679 3.401 ( 7.910 16.954 5.040) 19.375 3.712 ( -2.226 2.653 2.526) 4.287 3.800 ( 0.820 5.393 5.366) 7.652 4.414 ( -1.337 -6.290 -7.311) 9.736 4.842 ( -4.531 -7.004 -0.116) 8.343 5.294 ( 2.403 -14.089 -2.228) 14.465 6.141 ( 1.572 -7.004 1.220) 7.281 6.514 ( 13.113 -6.472 2.528) 14.840 7.009 ( -16.913 29.697 9.295) 35.417 8.000 ( 9.979 8.060 7.926) 15.079 8.474 ( -6.814 9.317 3.280) 12.000 8.765 ( -19.476 -3.676 -5.823) 20.658 9.432 ( 0.588 0.235 -4.314) 4.360 9.661 ( 5.181 -2.186 -0.094) 5.624 9.999 ( 4.920 -11.726 -4.567) 13.512 10.530 ( 11.339 3.324 10.561) 15.848 10.849 ( 1.980 -2.682 -3.639) 4.936 11.728 ( 7.200 -1.882 -7.268) 10.402 12.241 ( -5.638 -7.655 0.971) 9.556 13.284 ( -0.856 -4.287 2.374) 4.975 13.480 ( 2.783 -2.075 1.022) 3.619 14.405 ( 12.595 1.968 1.926) 12.892 15.291 ( -6.682 -6.042 13.598) 16.311 17.065 ( 9.040 -2.613 -13.522) 16.474 17.899 ( 4.176 -3.271 -15.292) 16.186 18.093 ( -13.141 19.997 23.885) 33.809 19.620 ( -6.201 12.094 -18.787) 23.188 20.631 ( -0.060 5.190 0.408) 5.206 21.433 ( -2.508 -12.032 0.084) 12.291 ======================= Grid point 227 (124/294) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 0.035 -2.428 -0.523) 2.484 3.672 ( 5.932 10.501 0.405) 12.068 3.720 ( 0.615 0.204 2.116) 2.213 3.837 ( -2.729 0.594 1.709) 3.274 4.307 ( -3.539 0.028 -2.867) 4.554 4.795 ( 2.355 -2.404 3.781) 5.062 5.149 ( -1.856 -12.893 -3.634) 13.523 6.103 ( 0.576 -5.752 0.397) 5.795 6.581 ( -2.838 -4.792 1.774) 5.845 7.165 ( 2.926 20.460 7.252) 21.903 8.249 ( -13.469 -1.701 -6.449) 15.030 8.304 ( 11.107 6.970 6.803) 14.773 8.703 ( 1.552 6.276 4.425) 7.835 9.413 ( -0.522 1.085 -3.416) 3.622 9.621 ( -3.306 -5.331 -0.586) 6.300 9.983 ( 8.028 -9.517 -5.210) 13.497 10.746 ( 4.067 -2.567 6.697) 8.245 10.815 ( -0.947 0.748 -0.110) 1.212 11.705 ( -1.821 2.281 -13.161) 13.481 12.139 ( -0.885 -8.681 6.904) 11.126 13.233 ( -2.267 -1.621 0.785) 2.895 13.532 ( 5.379 -4.414 1.015) 7.032 14.623 ( 10.080 -0.158 1.037) 10.134 15.111 ( -14.299 -3.070 1.465) 14.698 17.085 ( 1.732 -0.520 -0.356) 1.843 17.846 ( -9.034 6.999 8.760) 14.399 18.243 ( 7.546 4.613 -8.460) 12.239 19.575 ( -0.211 12.555 -12.068) 17.416 20.679 ( 0.172 3.701 2.038) 4.228 21.313 ( -1.174 -8.806 2.286) 9.173 ======================= Grid point 228 (125/294) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( 4.259 -0.926 0.549) 4.393 3.625 ( -5.886 -3.584 -5.359) 8.730 3.820 ( 3.285 -1.574 -2.281) 4.298 3.887 ( 6.183 4.416 2.924) 8.141 4.262 ( -4.476 4.592 1.729) 6.641 4.830 ( 1.616 -5.494 0.743) 5.775 5.001 ( -3.259 -2.519 0.028) 4.119 6.058 ( -0.561 -3.970 -0.021) 4.009 6.409 ( -11.648 -2.034 0.797) 11.852 7.532 ( 16.790 10.305 5.300) 20.401 8.001 ( -9.080 -1.942 -8.323) 12.470 8.607 ( 15.220 1.852 4.028) 15.852 8.810 ( 4.398 -0.375 3.087) 5.387 9.416 ( -1.735 4.011 1.366) 4.578 9.522 ( -3.838 1.679 -0.578) 4.229 9.982 ( 6.780 -10.704 -5.127) 13.669 10.654 ( -4.704 -7.261 -4.104) 9.575 10.839 ( -5.796 1.161 7.785) 9.775 11.614 ( -3.894 4.207 -10.728) 12.163 12.105 ( -0.902 -3.433 7.851) 8.616 13.188 ( -1.855 -0.612 -1.232) 2.310 13.569 ( 4.738 -6.547 0.472) 8.095 14.635 ( -8.041 -11.629 3.555) 14.578 14.895 ( -4.916 7.438 -13.203) 15.931 17.136 ( -2.517 3.015 14.305) 14.834 17.786 ( -18.776 12.439 13.291) 26.152 18.340 ( 20.128 -7.735 -24.041) 32.294 19.720 ( 7.820 12.175 -3.716) 14.940 20.740 ( 1.950 2.531 3.346) 4.626 21.244 ( -2.169 -4.399 4.036) 6.352 ======================= Grid point 229 (126/294) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 6.327 -1.342 2.624) 6.980 3.431 ( -7.210 -5.769 -6.041) 11.034 3.848 ( 5.050 -4.642 -8.527) 10.943 3.961 ( 1.965 -5.280 2.845) 6.311 4.279 ( -1.722 7.455 1.860) 7.874 4.823 ( 2.042 2.795 0.483) 3.495 4.952 ( -6.883 3.358 3.520) 8.428 6.003 ( -2.036 -1.967 -1.869) 3.393 6.260 ( -5.217 0.227 2.576) 5.823 7.791 ( -6.860 -3.722 -8.215) 11.331 7.913 ( 20.559 -2.750 3.588) 21.051 8.786 ( 8.341 -8.166 -3.060) 12.067 8.971 ( 11.687 3.429 3.541) 12.684 9.374 ( -5.428 1.916 2.340) 6.214 9.598 ( -0.743 14.744 2.659) 15.000 9.943 ( 7.334 -14.048 -4.412) 16.450 10.447 ( -6.828 -10.862 -2.808) 13.133 10.743 ( -12.165 4.345 4.818) 13.787 11.503 ( -6.098 -0.074 -5.567) 8.257 12.171 ( 1.238 6.894 7.101) 9.974 13.145 ( -1.681 0.385 -2.835) 3.318 13.563 ( 2.868 -7.824 -0.824) 8.374 14.325 ( -14.066 -7.705 -1.201) 16.083 14.830 ( -3.527 3.634 -12.484) 13.472 17.187 ( -7.991 2.090 19.476) 21.155 17.638 ( -14.305 9.791 -3.719) 17.730 18.518 ( 22.545 -7.158 -8.825) 25.247 19.937 ( 7.945 6.455 -3.316) 10.760 20.828 ( 3.782 -1.026 5.155) 6.475 21.220 ( -2.442 4.326 4.388) 6.628 ======================= Grid point 230 (127/294) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( -7.597 -2.305 0.542) 7.958 3.253 ( 7.670 -6.950 -3.397) 10.894 3.739 ( -1.262 -9.607 -6.278) 11.546 4.000 ( 7.759 -7.013 0.111) 10.460 4.316 ( -2.398 3.519 0.994) 4.373 4.761 ( -17.885 9.242 1.831) 20.215 5.056 ( 9.086 9.462 1.608) 13.216 5.966 ( 0.441 2.120 -1.701) 2.753 6.251 ( -1.246 1.868 3.803) 4.416 7.633 ( -1.583 -4.492 -5.036) 6.931 8.181 ( 21.192 -17.665 3.023) 27.755 8.788 ( 6.169 -11.095 -4.453) 13.453 9.088 ( -4.183 6.594 -2.980) 8.358 9.390 ( -2.694 4.781 6.299) 8.355 9.649 ( -7.088 3.495 -1.760) 8.096 10.016 ( 17.195 -9.331 -3.576) 19.888 10.243 ( -3.662 -3.891 4.567) 7.029 10.631 ( -9.864 6.794 3.828) 12.574 11.381 ( -5.135 0.868 -1.622) 5.455 12.324 ( 1.956 10.960 3.293) 11.610 13.107 ( -1.978 1.235 -2.540) 3.449 13.500 ( 0.196 -8.853 -2.340) 9.160 14.104 ( -6.258 -0.215 0.571) 6.288 14.674 ( -8.428 -0.414 -11.108) 13.950 17.134 ( -13.404 2.567 15.648) 20.763 17.475 ( -5.055 0.207 -14.333) 15.200 18.816 ( 19.341 -2.800 5.551) 20.316 20.022 ( 2.536 -0.295 -6.500) 6.983 20.847 ( -2.604 -7.329 9.309) 12.131 21.352 ( 5.141 15.217 1.002) 16.093 ======================= Grid point 231 (128/294) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( -1.126 -4.437 -4.200) 6.212 3.293 ( 2.334 -4.795 0.657) 5.373 3.631 ( 2.004 -8.536 -1.200) 8.850 4.024 ( -0.537 -5.408 2.087) 5.821 4.270 ( -2.072 -2.457 -2.597) 4.132 4.572 ( -14.696 8.960 2.098) 17.339 5.285 ( 5.929 9.935 -2.084) 11.756 6.066 ( 6.826 6.836 -0.437) 9.670 6.259 ( -4.498 3.768 4.889) 7.638 7.614 ( 3.743 -0.999 0.589) 3.919 8.296 ( 16.714 -28.754 1.244) 33.283 8.735 ( 5.503 -9.006 -9.586) 14.258 9.040 ( -9.827 9.127 4.842) 14.259 9.324 ( -9.782 -1.133 2.204) 10.091 9.489 ( -7.279 -5.195 -1.502) 9.068 9.931 ( -2.979 -10.413 -5.220) 12.023 10.540 ( 1.135 10.313 9.568) 14.114 10.674 ( 19.066 7.920 4.429) 21.116 11.359 ( -0.604 6.209 -0.670) 6.274 12.450 ( 1.027 9.849 -3.375) 10.462 13.075 ( -1.594 0.175 0.324) 1.636 13.390 ( -0.323 -9.909 -1.565) 10.037 14.138 ( 2.174 9.043 2.024) 9.519 14.434 ( -10.073 -2.872 -6.834) 12.507 17.006 ( -14.905 4.797 7.494) 17.359 17.288 ( -1.218 -10.580 -14.195) 17.746 19.117 ( 13.161 -2.265 9.129) 16.177 19.966 ( -1.216 -2.364 -8.157) 8.579 20.749 ( -7.721 -6.093 10.958) 14.724 21.626 ( 9.019 15.427 -2.105) 17.993 ======================= Grid point 232 (129/294) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( 0.949 -0.123 0.751) 1.217 3.250 ( -1.526 -4.275 -1.904) 4.923 3.607 ( 3.222 -8.145 1.489) 8.885 3.883 ( -12.190 1.088 1.394) 12.317 4.237 ( 5.796 -8.736 -0.845) 10.518 4.494 ( -5.495 6.605 1.068) 8.658 5.412 ( 3.049 5.805 -3.003) 7.212 6.247 ( -6.664 6.097 7.771) 11.916 6.261 ( 9.100 5.928 -3.508) 11.413 7.703 ( 0.295 5.121 5.469) 7.497 8.192 ( 2.447 -20.801 -3.120) 21.175 8.670 ( 3.573 -15.114 -7.655) 17.315 9.020 ( -3.513 2.927 6.427) 7.888 9.137 ( -13.354 3.386 0.828) 13.801 9.360 ( -0.115 -5.568 0.741) 5.619 9.793 ( 0.062 -6.678 -3.693) 7.631 10.569 ( -1.458 0.586 3.487) 3.825 11.199 ( 15.655 7.334 10.612) 20.285 11.491 ( 8.974 15.033 -3.907) 17.939 12.516 ( 1.731 8.182 -8.213) 11.722 13.050 ( -1.168 -3.073 -0.298) 3.301 13.340 ( 5.048 -7.796 6.124) 11.125 14.035 ( -11.316 -7.094 -9.807) 16.569 14.519 ( 8.354 17.159 10.614) 21.838 16.801 ( -15.741 0.219 -2.123) 15.885 17.096 ( 0.691 -12.639 -7.843) 14.891 19.273 ( 4.453 -4.309 3.599) 7.166 19.878 ( -2.503 -0.086 -5.354) 5.911 20.642 ( -6.955 -2.865 9.277) 11.944 21.879 ( 7.778 11.594 -4.202) 14.580 ======================= Grid point 236 (130/294) ======================= q-point: ( 0.17 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( -5.098 5.817 2.406) 8.101 3.347 ( 0.930 -6.507 1.156) 6.674 3.528 ( -2.436 4.030 5.517) 7.254 3.765 ( 3.087 6.423 -1.159) 7.220 4.278 ( 8.315 -6.558 3.944) 11.300 4.560 ( 4.728 -1.294 0.097) 4.903 5.478 ( 0.446 -0.273 -3.490) 3.529 6.174 ( 9.780 -8.104 -7.380) 14.689 6.466 ( -9.364 -4.932 4.231) 11.398 7.629 ( -2.513 0.626 -4.780) 5.437 7.891 ( -14.372 9.333 0.146) 17.137 8.568 ( 1.922 14.730 5.696) 15.909 8.952 ( -3.550 7.817 4.126) 9.526 9.253 ( 12.060 -9.446 -0.289) 15.321 9.364 ( 2.990 -2.930 5.200) 6.675 9.753 ( 3.777 3.564 -1.031) 5.294 10.533 ( 1.611 -2.733 -1.223) 3.400 11.071 ( -17.377 -4.639 -7.284) 19.405 11.764 ( -3.800 -11.194 -4.804) 12.760 12.624 ( -1.122 1.536 -4.556) 4.938 13.036 ( 1.289 2.338 2.988) 4.007 13.248 ( 2.697 -1.029 4.481) 5.330 14.254 ( 18.635 0.887 12.360) 22.379 14.678 ( -6.815 -22.146 -6.238) 23.996 16.813 ( 13.385 1.881 2.645) 13.773 17.168 ( -4.371 18.963 20.278) 28.105 18.968 ( -3.900 -0.292 -16.729) 17.180 19.849 ( -4.177 8.256 -3.789) 9.998 20.527 ( -2.072 -1.049 2.335) 3.293 21.993 ( -3.492 -3.458 -6.376) 8.050 ======================= Grid point 237 (131/294) ======================= q-point: ( 0.25 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( -3.785 11.820 3.873) 13.001 3.306 ( -1.104 -3.383 1.243) 3.770 3.575 ( 2.429 0.750 3.995) 4.735 3.857 ( -3.668 11.616 3.055) 12.559 4.342 ( 7.134 -8.676 -2.219) 11.450 4.709 ( 14.247 -4.186 3.363) 15.226 5.415 ( -2.974 -5.638 -5.540) 8.446 6.191 ( 6.192 -9.591 -6.374) 13.075 6.274 ( -7.014 -6.527 2.885) 10.006 7.593 ( 1.384 -1.007 -0.900) 1.934 7.773 ( -21.483 26.600 3.582) 34.379 8.708 ( -6.718 14.671 8.000) 18.010 9.069 ( 4.311 9.825 1.887) 10.894 9.313 ( 8.065 -10.783 0.064) 13.466 9.479 ( 9.739 -2.168 0.002) 9.978 9.899 ( 8.021 6.229 1.996) 10.350 10.491 ( -8.110 -7.262 -6.111) 12.484 10.663 ( -11.054 -5.602 -3.133) 12.782 11.578 ( -1.879 -11.923 -0.925) 12.106 12.553 ( -2.844 -3.334 -4.934) 6.599 13.111 ( 3.704 1.686 2.342) 4.696 13.387 ( 6.889 1.174 8.197) 10.772 14.234 ( -7.881 -13.078 -5.134) 16.109 14.739 ( 22.528 -7.346 10.571) 25.946 16.899 ( -0.132 -0.318 -1.328) 1.372 17.502 ( 5.536 13.270 19.036) 23.856 18.775 ( -9.049 4.063 -14.621) 17.668 19.842 ( -3.255 10.566 -9.337) 14.471 20.542 ( 0.450 3.663 2.874) 4.677 21.811 ( -6.072 -9.472 -6.236) 12.864 ======================= Grid point 238 (132/294) ======================= q-point: ( 0.33 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 1.684 4.297 1.309) 4.797 3.291 ( -2.546 7.543 6.789) 10.463 3.672 ( 4.701 2.636 2.585) 5.977 3.896 ( -6.958 10.434 4.504) 13.326 4.337 ( 4.848 -7.330 -5.353) 10.290 4.919 ( 11.797 -4.827 2.984) 13.091 5.186 ( -5.972 -15.163 -8.368) 18.320 6.108 ( 0.609 -8.967 -0.657) 9.012 6.224 ( 2.449 -2.504 0.468) 3.534 7.650 ( -4.224 11.288 4.940) 13.026 7.743 ( -10.235 19.911 3.959) 22.735 8.745 ( -9.911 12.794 9.026) 18.531 9.208 ( 1.432 2.369 -6.559) 7.119 9.342 ( 7.569 -9.528 1.507) 12.261 9.591 ( 2.734 6.292 -3.508) 7.705 10.042 ( -16.378 -10.084 -4.872) 19.840 10.152 ( 8.752 6.369 8.606) 13.829 10.651 ( 7.709 -5.654 -2.087) 9.785 11.498 ( 3.952 -7.128 0.161) 8.152 12.412 ( -4.160 -7.637 -4.961) 10.012 13.197 ( 3.498 0.425 1.599) 3.870 13.519 ( 1.173 -0.883 7.280) 7.427 14.070 ( 3.909 -4.431 -3.047) 6.648 15.086 ( 19.096 -8.192 12.346) 24.170 16.850 ( -1.172 -0.554 -8.224) 8.326 17.712 ( 3.161 -0.605 2.988) 4.391 18.642 ( -11.091 13.543 3.573) 17.866 19.811 ( -4.634 10.731 -14.449) 18.585 20.626 ( 0.448 6.970 3.345) 7.745 21.564 ( -5.732 -13.317 -4.959) 15.323 ======================= Grid point 239 (133/294) ======================= q-point: ( 0.42 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( -3.221 -2.019 1.510) 4.091 3.471 ( 3.996 11.031 7.646) 14.004 3.776 ( 1.543 3.991 -1.723) 4.613 3.896 ( -4.897 5.946 3.909) 8.638 4.314 ( 2.719 -3.734 -4.313) 6.320 4.859 ( -6.936 -7.344 -4.867) 11.213 5.065 ( 8.666 -12.144 -0.480) 14.926 6.051 ( 1.512 -5.582 -1.524) 5.981 6.303 ( 8.572 -2.951 4.231) 10.005 7.632 ( -20.800 23.334 6.122) 31.853 7.905 ( 11.069 2.592 3.785) 11.982 8.744 ( -10.531 10.029 5.754) 15.639 8.981 ( -15.655 -6.892 -5.389) 17.934 9.384 ( 4.132 -3.414 -1.622) 5.600 9.659 ( -5.065 10.775 -0.753) 11.930 9.803 ( 3.736 -11.159 -3.711) 12.339 10.444 ( 11.340 5.447 9.846) 15.976 10.717 ( 7.322 -4.168 -2.772) 8.869 11.565 ( 7.844 -0.853 -1.100) 7.967 12.230 ( -3.951 -10.072 -2.825) 11.182 13.242 ( 2.052 -2.082 0.617) 2.987 13.509 ( -3.912 0.767 3.040) 5.013 14.215 ( 13.130 1.597 -0.293) 13.230 15.322 ( 7.860 -8.661 14.514) 18.639 16.786 ( 6.126 -2.648 -16.038) 17.371 17.670 ( 1.868 -5.972 -11.955) 13.494 18.702 ( -12.599 18.130 23.504) 32.247 19.711 ( -6.597 9.214 -18.343) 21.561 20.702 ( -1.550 5.951 3.150) 6.909 21.351 ( -1.889 -12.218 -1.750) 12.486 ======================= Grid point 240 (134/294) ======================= q-point: ( 0.50 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( -3.942 0.026 3.372) 5.188 3.667 ( 5.600 5.752 4.138) 9.031 3.754 ( -3.921 1.762 -4.203) 6.012 3.863 ( -2.755 -2.446 -3.147) 4.845 4.313 ( 1.506 -0.935 0.135) 1.778 4.757 ( 1.006 -1.210 -1.855) 2.433 5.047 ( 1.300 -6.781 0.231) 6.909 6.032 ( 2.088 -3.351 -1.243) 4.139 6.470 ( 10.021 -2.859 4.839) 11.489 7.503 ( -16.949 10.519 3.661) 20.281 8.137 ( 12.017 -0.030 3.187) 12.432 8.484 ( -18.120 -1.809 -7.950) 19.870 8.842 ( -6.284 4.877 9.230) 12.184 9.404 ( 1.586 1.358 -2.190) 3.025 9.599 ( -1.153 -5.937 0.117) 6.049 9.831 ( 2.944 3.612 -4.911) 6.770 10.685 ( 5.367 -0.850 4.212) 6.875 10.787 ( 5.958 0.808 3.050) 6.742 11.662 ( 2.911 4.498 -6.264) 8.243 12.100 ( 0.267 -8.774 2.968) 9.266 13.240 ( 0.120 -2.167 0.208) 2.180 13.478 ( -1.621 0.881 -0.414) 1.891 14.443 ( 12.166 1.496 -2.208) 12.455 15.305 ( -9.457 -6.940 8.579) 14.533 16.881 ( 18.311 -2.223 -9.008) 20.527 17.587 ( 6.911 -6.525 -17.057) 19.526 18.740 ( -22.370 14.256 24.047) 35.804 19.608 ( -1.297 9.065 -14.977) 17.555 20.730 ( -1.335 1.998 3.197) 4.000 21.260 ( 0.858 -6.358 2.297) 6.814 ======================= Grid point 241 (135/294) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( -1.765 1.601 4.433) 5.033 3.645 ( -4.668 -2.252 -7.161) 8.840 3.755 ( -1.132 -5.030 -3.916) 6.475 3.812 ( 5.953 -0.041 -0.954) 6.029 4.352 ( 0.182 3.103 3.778) 4.893 4.726 ( 0.942 -5.029 -5.068) 7.201 5.062 ( 0.292 5.082 4.189) 6.593 6.028 ( 0.905 -1.675 -1.396) 2.361 6.551 ( -3.464 -0.265 3.329) 4.812 7.400 ( 1.836 -5.631 2.336) 6.367 8.140 ( -12.895 -0.662 -6.816) 14.601 8.372 ( 13.122 -2.171 -0.033) 13.300 8.820 ( -3.478 -2.514 6.339) 7.655 9.455 ( 1.306 2.785 1.328) 3.350 9.569 ( 0.524 2.737 0.629) 2.857 9.864 ( 0.228 3.225 -4.234) 5.327 10.647 ( -3.747 -4.860 -3.205) 6.923 10.927 ( 1.983 0.387 9.228) 9.447 11.665 ( -3.226 8.023 -9.627) 12.940 12.113 ( 3.343 -2.679 7.754) 8.859 13.209 ( -1.894 -0.739 -0.877) 2.214 13.467 ( 1.566 -1.595 -1.993) 2.994 14.570 ( 5.089 -3.502 -4.204) 7.472 15.050 ( -15.030 -1.683 -3.462) 15.515 17.182 ( 12.533 3.514 10.386) 16.652 17.602 ( 22.216 -11.194 -23.074) 33.930 18.496 ( -30.712 7.564 11.519) 33.663 19.696 ( 5.766 10.530 -3.603) 12.534 20.752 ( 0.825 -0.367 3.818) 3.924 21.264 ( 0.442 -0.847 5.742) 5.821 ======================= Grid point 242 (136/294) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 1.160 -0.688 2.333) 2.695 3.485 ( -7.155 -2.993 -4.090) 8.769 3.687 ( 2.645 -5.067 -6.448) 8.617 3.825 ( 3.743 -11.268 -5.007) 12.886 4.395 ( -2.628 6.436 2.698) 7.457 4.757 ( 7.227 4.923 -0.668) 8.770 5.137 ( -3.201 7.552 4.148) 9.192 6.002 ( -0.998 -0.841 -3.281) 3.532 6.434 ( -11.266 2.959 3.271) 12.098 7.449 ( 15.547 -21.559 0.002) 26.580 7.903 ( -8.594 -2.261 -6.469) 10.991 8.559 ( 10.138 -5.357 -1.140) 11.522 8.839 ( 8.460 -0.113 4.360) 9.518 9.473 ( -1.917 2.947 1.801) 3.950 9.674 ( 2.402 5.896 2.433) 6.816 9.846 ( -2.784 3.367 -3.507) 5.603 10.470 ( -8.015 -6.815 -2.070) 10.723 10.951 ( -5.136 0.513 7.739) 9.302 11.599 ( -6.847 6.957 -8.152) 12.717 12.243 ( 4.090 5.540 9.320) 11.588 13.160 ( -2.270 0.541 -2.969) 3.776 13.467 ( 1.874 -2.858 -1.559) 3.757 14.442 ( -9.574 -8.657 -2.497) 13.147 14.846 ( -5.325 4.748 -13.850) 15.579 17.327 ( -0.802 -0.713 4.253) 4.386 17.900 ( 30.653 -10.443 -8.688) 33.528 18.109 ( -24.963 7.161 6.880) 26.865 19.878 ( 5.623 7.448 -0.550) 9.349 20.797 ( 2.648 -1.808 4.430) 5.469 21.324 ( -0.204 4.758 7.955) 9.271 ======================= Grid point 243 (137/294) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 1.347 -10.751 -9.231) 14.234 3.337 ( -5.753 -3.354 5.219) 8.460 3.631 ( -0.353 -4.611 -6.708) 8.147 3.768 ( 8.459 -9.767 -3.187) 13.308 4.428 ( -3.496 7.239 0.738) 8.073 5.003 ( 10.245 10.458 2.187) 14.803 5.118 ( -11.218 9.298 2.518) 14.787 5.955 ( -0.356 0.381 -4.917) 4.945 6.360 ( -4.805 5.709 4.787) 8.866 7.448 ( 13.386 -24.505 -4.381) 28.264 7.757 ( 2.487 -12.228 -1.782) 12.605 8.560 ( 4.379 -13.465 -0.501) 14.168 9.131 ( 10.734 12.813 -0.412) 16.720 9.522 ( -0.087 7.973 4.150) 8.989 9.662 ( 0.528 -12.012 -2.330) 12.247 9.847 ( -3.347 9.044 -1.399) 9.744 10.287 ( -5.399 -3.943 3.781) 7.681 10.886 ( -9.130 2.507 6.376) 11.415 11.500 ( -7.239 6.394 -4.176) 10.523 12.426 ( 2.043 9.229 7.615) 12.138 13.119 ( -1.137 1.553 -4.093) 4.523 13.439 ( -1.220 -3.286 -1.885) 3.980 14.204 ( -7.711 -2.742 -1.173) 8.268 14.715 ( -5.518 3.369 -16.733) 17.938 17.266 ( 0.074 -9.056 -5.424) 10.557 17.675 ( -23.253 0.596 3.712) 23.555 18.440 ( 27.445 0.089 6.471) 28.198 19.976 ( 1.051 2.473 -1.624) 3.140 20.844 ( 2.114 -4.710 6.677) 8.440 21.453 ( 1.464 11.493 6.127) 13.106 ======================= Grid point 244 (138/294) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 3.739 -15.654 -13.758) 21.173 3.290 ( 1.140 -7.883 5.361) 9.601 3.551 ( -1.420 -1.875 -2.753) 3.621 3.859 ( 8.868 -3.540 2.553) 9.884 4.393 ( -8.102 5.565 -2.796) 10.219 4.956 ( -16.910 5.856 4.969) 18.572 5.274 ( 6.186 12.441 -2.668) 14.147 5.977 ( 5.323 2.892 -5.430) 8.135 6.421 ( -1.566 8.730 6.428) 10.954 7.441 ( 14.805 -16.758 -4.499) 22.809 7.717 ( 12.294 -22.614 1.695) 25.796 8.479 ( 4.387 -15.818 -3.664) 16.819 9.292 ( -4.577 12.110 1.991) 13.098 9.419 ( -8.618 -11.168 2.358) 14.303 9.649 ( -5.871 4.888 0.012) 7.640 9.834 ( -0.785 0.162 -6.387) 6.437 10.445 ( 18.548 9.536 11.430) 23.782 10.788 ( -9.887 2.983 5.421) 11.664 11.458 ( -4.105 7.819 -1.082) 8.897 12.545 ( -1.754 8.798 1.998) 9.191 13.097 ( -1.291 1.161 -2.192) 2.796 13.332 ( -3.842 -5.415 -3.229) 7.383 14.188 ( 2.117 6.667 1.368) 7.128 14.523 ( -8.268 2.707 -14.496) 16.906 17.088 ( -0.438 -16.131 -14.495) 21.692 17.374 ( -19.044 1.920 9.719) 21.466 18.879 ( 19.610 -0.403 7.290) 20.925 19.959 ( -2.541 0.600 -1.451) 2.987 20.838 ( -2.165 -7.124 9.726) 12.249 21.654 ( 4.486 14.816 0.787) 15.500 ======================= Grid point 245 (139/294) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 11.979 -12.288 -10.365) 20.048 3.273 ( 5.302 -11.690 2.955) 13.172 3.513 ( -2.200 1.208 0.067) 2.510 3.981 ( 3.495 -1.819 8.608) 9.467 4.232 ( -12.141 4.085 -7.207) 14.698 4.770 ( -15.234 6.086 4.704) 17.066 5.411 ( 2.205 7.381 -3.807) 8.592 6.078 ( 7.714 1.237 -8.539) 11.574 6.517 ( -4.278 10.998 8.865) 14.760 7.582 ( 22.895 -15.646 -3.986) 28.015 7.745 ( 11.278 -15.713 4.234) 19.799 8.367 ( 5.004 -16.686 -6.786) 18.695 9.166 ( -7.316 -11.010 4.457) 13.950 9.345 ( -5.593 9.179 3.864) 11.422 9.498 ( -15.355 3.392 1.439) 15.791 9.770 ( -2.901 0.752 -3.787) 4.830 10.679 ( -7.315 1.469 2.575) 7.893 11.055 ( 24.936 15.036 12.449) 31.668 11.488 ( 0.008 7.706 -2.801) 8.199 12.575 ( -3.171 8.980 -4.232) 10.421 13.055 ( -2.909 -1.551 -0.921) 3.423 13.240 ( 1.631 -5.235 1.896) 5.802 14.119 ( -11.736 -1.901 -13.710) 18.147 14.583 ( 9.138 16.102 6.354) 19.574 16.777 ( -3.978 -19.642 -17.439) 26.566 17.200 ( -13.123 2.148 12.133) 18.001 19.128 ( 9.467 -3.133 0.618) 9.991 19.924 ( -2.916 1.917 2.102) 4.074 20.765 ( -5.349 -6.716 9.939) 13.134 21.863 ( 5.151 13.123 -3.584) 14.546 ======================= Grid point 248 (140/294) ======================= q-point: ( 0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 15.870 -12.551 1.755) 20.309 3.373 ( 8.949 4.585 6.749) 12.110 3.598 ( -4.200 -1.157 -1.406) 4.577 3.704 ( 1.337 0.550 -3.750) 4.019 4.292 ( -5.988 5.494 4.624) 9.350 4.619 ( -7.882 4.619 3.479) 9.776 5.453 ( -0.249 -0.309 -4.200) 4.219 5.907 ( 8.350 -7.111 -4.681) 11.924 6.599 ( -10.583 -5.528 0.936) 11.977 7.489 ( 13.311 -7.294 -3.882) 15.667 7.927 ( 11.948 -0.890 -5.741) 13.286 8.602 ( 11.270 14.740 2.583) 18.733 8.959 ( 9.684 -7.514 -1.387) 12.335 9.193 ( -10.287 6.148 7.722) 14.257 9.489 ( -10.300 2.990 7.229) 12.934 9.779 ( -3.426 5.130 -1.711) 6.401 10.535 ( -3.477 -0.490 -0.639) 3.569 11.302 ( -16.478 -0.820 -0.695) 16.513 11.615 ( 2.266 -11.617 -11.796) 16.711 12.693 ( -5.091 6.792 -4.063) 9.411 13.057 ( -2.017 -1.140 1.257) 2.636 13.251 ( 0.421 0.981 2.826) 3.021 14.033 ( 15.930 3.530 10.573) 19.442 14.587 ( -10.816 -22.013 -5.754) 25.192 16.629 ( 16.218 3.184 8.188) 18.444 17.535 ( -6.467 13.596 19.392) 24.551 18.871 ( 1.710 -0.255 -18.744) 18.823 19.994 ( -6.212 6.773 -1.489) 9.311 20.570 ( -1.848 -2.971 7.053) 7.873 21.993 ( -4.646 -1.354 -8.017) 9.364 ======================= Grid point 249 (141/294) ======================= q-point: ( 0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 11.692 -9.288 3.409) 15.316 3.403 ( -7.851 10.473 -0.919) 13.121 3.582 ( 1.476 0.151 0.198) 1.496 3.894 ( 14.508 1.321 2.997) 14.873 4.256 ( -4.248 1.450 1.146) 4.633 4.607 ( -1.685 3.365 5.777) 6.894 5.384 ( -3.167 -4.710 -6.132) 8.355 5.959 ( 8.033 -7.158 -2.698) 11.093 6.366 ( -9.810 -5.013 0.056) 11.017 7.536 ( 3.130 -2.161 -1.982) 4.289 8.145 ( 6.697 14.602 -4.228) 16.611 8.862 ( 0.430 12.791 2.523) 13.045 8.997 ( 10.615 -13.470 -0.166) 17.151 9.254 ( -1.120 13.601 4.350) 14.323 9.428 ( -3.641 0.198 7.219) 8.088 9.816 ( 5.944 2.801 -1.395) 6.717 10.474 ( -2.175 -1.672 -1.103) 2.957 10.930 ( -23.601 -3.907 -3.300) 24.149 11.463 ( 0.262 -11.571 -4.609) 12.458 12.586 ( -7.498 -0.729 -5.078) 9.085 13.059 ( 3.639 -1.331 1.598) 4.191 13.360 ( 5.021 3.783 5.036) 8.055 14.206 ( -8.580 -15.841 -4.062) 18.468 14.389 ( 18.769 -1.714 7.805) 20.399 16.867 ( 5.765 -2.020 7.822) 9.925 17.667 ( -2.448 4.767 14.219) 15.195 18.815 ( 0.178 8.481 -15.388) 17.572 19.944 ( -4.634 7.260 -7.052) 11.132 20.613 ( 0.107 4.532 9.105) 10.171 21.796 ( -7.695 -7.858 -8.394) 13.835 ======================= Grid point 250 (142/294) ======================= q-point: ( 0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 5.954 -5.036 3.172) 8.419 3.442 ( -0.777 11.194 2.438) 11.483 3.626 ( 4.180 0.116 -0.456) 4.207 4.110 ( 1.396 8.580 4.545) 9.809 4.207 ( -0.376 -1.547 -2.794) 3.216 4.684 ( 7.168 -5.091 4.949) 10.089 5.156 ( -9.030 -9.795 -8.907) 16.026 5.983 ( 4.084 -5.761 -1.358) 7.191 6.237 ( -3.786 -0.310 1.603) 4.122 7.598 ( 5.908 1.972 0.662) 6.264 8.273 ( -12.045 21.957 -0.523) 25.049 8.958 ( 3.977 2.618 3.443) 5.876 9.070 ( 8.284 -7.888 0.872) 11.472 9.306 ( -8.037 5.830 -0.063) 9.929 9.497 ( 7.200 3.122 0.347) 7.855 10.021 ( 12.640 4.067 1.753) 13.394 10.377 ( -15.907 0.321 2.675) 16.133 10.524 ( -7.241 -6.038 -4.116) 10.287 11.382 ( 2.419 -6.269 0.303) 6.727 12.395 ( -6.875 -6.941 -5.402) 11.164 13.138 ( 4.774 -0.700 1.044) 4.937 13.517 ( 5.714 2.461 5.498) 8.303 13.988 ( -2.500 -5.262 -2.370) 6.290 14.710 ( 20.963 -6.918 4.912) 22.615 16.886 ( -4.523 -3.063 4.045) 6.797 17.666 ( -1.109 -6.180 -1.697) 6.504 18.883 ( -0.113 14.299 2.236) 14.473 19.891 ( -3.916 6.964 -10.992) 13.589 20.747 ( -0.319 10.724 9.091) 14.062 21.509 ( -8.182 -13.069 -7.986) 17.364 ======================= Grid point 251 (143/294) ======================= q-point: ( 0.42 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 1.713 -1.840 2.251) 3.375 3.575 ( 0.668 8.102 7.196) 10.857 3.709 ( 6.232 0.245 -3.501) 7.152 4.102 ( -9.792 5.138 0.627) 11.076 4.218 ( 2.438 -1.845 -2.089) 3.703 4.720 ( 6.741 -14.692 -5.159) 16.968 4.956 ( -2.426 1.248 0.971) 2.896 5.982 ( 1.185 -1.582 -1.627) 2.560 6.225 ( 1.712 -1.172 3.157) 3.778 7.764 ( 9.517 1.724 1.752) 9.830 8.176 ( -19.679 14.102 2.267) 24.316 9.025 ( -8.539 5.763 3.394) 10.846 9.085 ( -4.832 -3.785 -4.686) 7.722 9.222 ( 7.280 -3.864 2.122) 8.511 9.608 ( 5.660 -8.393 -1.137) 10.186 9.998 ( -19.392 13.179 -2.634) 23.594 10.366 ( 11.951 3.892 6.331) 14.074 10.532 ( 7.751 -1.438 0.010) 7.884 11.438 ( 7.264 -0.283 1.800) 7.489 12.183 ( -5.429 -9.181 -4.076) 11.418 13.192 ( 2.583 -0.876 -0.785) 2.838 13.608 ( -1.891 1.835 4.657) 5.351 14.023 ( 9.720 2.231 -2.740) 10.342 15.013 ( 22.399 -10.724 4.929) 25.318 16.726 ( -9.169 -3.907 -5.094) 11.193 17.546 ( -0.524 -7.116 -8.482) 11.084 19.082 ( -0.153 13.655 17.362) 22.088 19.795 ( -6.580 5.852 -14.226) 16.731 20.864 ( -5.822 10.164 7.196) 13.747 21.241 ( -1.795 -12.788 -5.103) 13.885 ======================= Grid point 252 (144/294) ======================= q-point: (-0.50 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( -1.206 0.500 3.510) 3.745 3.666 ( 0.748 0.903 3.552) 3.740 3.752 ( 1.855 -1.006 -5.808) 6.180 3.919 ( -10.715 -2.598 -5.429) 12.290 4.234 ( 5.627 -3.922 1.157) 6.956 4.698 ( 3.015 -0.977 -4.417) 5.437 5.013 ( 1.921 3.760 4.453) 6.137 5.970 ( 0.793 -0.981 -2.911) 3.172 6.333 ( 8.519 0.597 5.512) 10.164 7.796 ( -9.042 -10.195 -0.331) 13.631 8.058 ( -3.005 9.266 2.840) 10.147 8.698 ( -17.732 -6.550 -7.717) 20.418 9.076 ( -8.265 4.601 10.461) 14.104 9.325 ( 5.803 -2.608 -0.861) 6.420 9.519 ( 2.467 -9.881 -0.376) 10.191 9.947 ( -6.816 19.732 -5.728) 21.648 10.588 ( 8.004 -1.177 1.356) 8.202 10.706 ( 8.751 4.655 6.330) 11.761 11.612 ( 8.384 5.771 0.706) 10.203 12.023 ( -1.697 -7.189 -0.807) 7.430 13.205 ( 1.271 -0.884 -1.797) 2.372 13.572 ( -6.011 2.578 0.843) 6.595 14.230 ( 12.989 2.917 -5.380) 14.358 15.261 ( 13.530 -12.032 7.147) 19.466 16.544 ( 2.654 -4.115 -12.669) 13.582 17.435 ( -0.504 -4.469 -7.301) 8.575 19.288 ( -8.896 10.400 25.830) 29.232 19.621 ( -5.481 4.855 -17.925) 19.362 20.807 ( -5.833 -2.979 3.452) 7.404 21.205 ( 2.837 0.911 1.828) 3.496 ======================= Grid point 253 (145/294) ======================= q-point: (-0.42 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( -2.884 0.384 4.769) 5.586 3.653 ( 1.015 -7.381 -8.066) 10.980 3.666 ( -3.851 -1.926 -5.054) 6.640 3.736 ( -2.105 -4.656 -4.046) 6.518 4.359 ( 6.121 3.321 6.630) 9.615 4.674 ( -1.388 -0.255 -5.379) 5.561 5.133 ( 1.787 8.686 4.155) 9.794 5.965 ( 2.713 -1.929 -3.817) 5.064 6.547 ( 8.273 4.451 6.455) 11.398 7.416 ( -15.268 -19.397 -0.235) 24.686 8.166 ( 7.468 0.636 -0.235) 7.499 8.312 ( -15.400 -7.120 -7.244) 18.448 8.933 ( -10.294 -6.898 5.430) 13.529 9.446 ( 5.878 4.851 2.507) 8.023 9.556 ( 4.456 1.608 1.879) 5.096 9.982 ( -6.401 16.364 -5.934) 18.546 10.629 ( 0.014 -2.880 -1.492) 3.243 10.914 ( 6.128 1.525 8.324) 10.448 11.763 ( -1.139 12.410 -4.284) 13.178 12.026 ( 7.375 -3.488 5.776) 9.996 13.204 ( 0.838 -0.784 -1.303) 1.737 13.492 ( -5.361 2.613 -2.673) 6.535 14.391 ( 9.308 0.575 -9.795) 13.524 15.230 ( -8.565 -8.257 3.333) 12.355 16.696 ( 30.043 -6.691 -12.148) 33.090 17.358 ( -1.130 -1.458 -3.023) 3.541 19.101 ( -27.675 2.140 6.745) 28.565 19.686 ( 6.079 9.096 2.338) 11.187 20.741 ( 0.379 -5.973 4.469) 7.470 21.296 ( 1.347 5.411 5.314) 7.703 ======================= Grid point 254 (146/294) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( -3.475 -5.802 -1.645) 6.961 3.522 ( 1.362 -18.139 -6.869) 19.444 3.565 ( -3.040 4.765 -3.353) 6.572 3.664 ( -0.540 -2.653 -4.227) 5.020 4.507 ( -0.753 5.831 4.881) 7.642 4.688 ( 6.664 6.280 -1.596) 9.294 5.258 ( -0.069 9.436 2.421) 9.742 5.962 ( 1.839 -1.440 -5.636) 6.100 6.674 ( -6.927 7.185 4.536) 10.962 7.035 ( 1.767 -31.302 0.703) 31.360 7.973 ( -11.445 -8.141 -7.009) 15.697 8.323 ( 12.728 -3.073 -1.581) 13.189 8.778 ( -1.752 -5.961 4.240) 7.522 9.532 ( -0.916 3.211 2.941) 4.450 9.722 ( 4.961 7.736 3.410) 9.802 9.966 ( -7.338 12.293 -6.052) 15.543 10.535 ( -6.064 -3.509 -0.904) 7.064 11.021 ( 1.059 -1.310 7.698) 7.880 11.767 ( -7.857 12.768 -6.841) 16.479 12.230 ( 10.010 3.343 10.019) 14.552 13.192 ( -1.727 0.464 -1.135) 2.118 13.439 ( -1.199 2.693 -3.502) 4.578 14.411 ( 1.431 -2.654 -10.844) 11.255 14.971 ( -13.619 -1.722 -4.276) 14.378 17.041 ( 26.838 -15.953 -23.104) 38.840 17.442 ( 12.221 6.066 14.762) 20.101 18.657 ( -29.597 0.411 3.197) 29.772 19.883 ( 4.287 7.496 5.344) 10.155 20.745 ( 3.004 -5.650 4.665) 7.919 21.416 ( 1.261 6.842 8.649) 11.100 ======================= Grid point 255 (147/294) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( -4.291 -14.523 -13.254) 20.125 3.288 ( 0.622 -24.795 -2.999) 24.983 3.609 ( -1.000 0.712 -3.108) 3.341 3.639 ( 1.125 10.844 2.309) 11.145 4.550 ( -2.029 6.728 0.430) 7.040 4.942 ( 11.060 9.950 3.163) 15.210 5.326 ( -3.661 9.238 0.032) 9.937 5.926 ( -0.202 -0.012 -7.567) 7.570 6.547 ( -7.690 -1.891 2.249) 8.232 6.891 ( 10.759 -29.716 1.732) 31.651 7.709 ( -6.385 -8.342 -4.880) 11.583 8.388 ( 3.138 -11.660 0.065) 12.075 8.942 ( 19.512 5.668 0.418) 20.323 9.544 ( -2.157 1.209 1.448) 2.865 9.777 ( -8.506 5.720 2.895) 10.651 9.955 ( -1.954 7.705 -3.461) 8.669 10.398 ( -7.181 -0.498 3.096) 7.836 11.028 ( -3.325 -1.512 6.231) 7.222 11.693 ( -9.626 10.954 -4.668) 15.311 12.493 ( 6.873 6.855 11.051) 14.708 13.149 ( -2.817 3.092 -3.632) 5.540 13.444 ( -1.007 2.482 -1.723) 3.184 14.277 ( -5.943 -2.490 -5.834) 8.692 14.752 ( -7.668 3.080 -13.573) 15.890 17.004 ( 8.203 -16.170 -19.814) 26.858 17.934 ( 17.306 0.439 19.443) 26.034 18.242 ( -16.232 2.969 -0.218) 16.502 20.009 ( 0.285 4.373 4.378) 6.195 20.775 ( 3.848 -5.467 3.485) 7.539 21.573 ( 1.838 8.790 10.125) 13.534 ======================= Grid point 256 (148/294) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -0.530 -19.649 -17.578) 26.369 3.081 ( 5.378 -26.176 -1.093) 26.745 3.586 ( -2.442 3.805 -0.621) 4.564 3.832 ( 3.806 13.370 5.894) 15.099 4.549 ( -5.290 5.688 -2.855) 8.276 5.174 ( 0.782 1.688 6.212) 6.485 5.333 ( -2.261 13.030 -5.435) 14.298 5.894 ( 2.265 1.633 -8.326) 8.782 6.522 ( 4.989 -1.648 3.196) 6.149 6.807 ( 13.269 -28.889 0.076) 31.791 7.560 ( -0.466 -6.765 -1.020) 6.857 8.280 ( 0.420 -15.085 0.134) 15.091 9.303 ( 12.024 -2.204 -6.625) 13.904 9.480 ( -4.631 3.561 3.275) 6.697 9.742 ( -3.962 9.402 0.967) 10.249 9.945 ( -4.709 3.965 1.796) 6.412 10.395 ( 2.814 5.241 9.034) 10.816 10.966 ( -6.566 -0.785 4.294) 7.885 11.630 ( -7.515 9.462 -0.510) 12.094 12.674 ( -0.238 6.573 8.398) 10.667 13.136 ( -1.665 5.748 -3.297) 6.833 13.371 ( -7.197 -1.259 -3.934) 8.298 14.215 ( 1.101 4.189 0.004) 4.331 14.585 ( -6.328 5.917 -17.239) 19.294 16.813 ( 2.327 -18.945 -16.961) 25.534 17.775 ( -21.823 -1.973 11.006) 24.521 18.573 ( 23.959 3.326 7.109) 25.211 20.035 ( -3.455 2.509 4.197) 5.987 20.800 ( 3.113 -6.817 3.852) 8.426 21.754 ( 1.964 11.257 6.804) 13.299 ======================= Grid point 257 (149/294) ======================= q-point: (-0.08 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 11.259 -16.308 -13.914) 24.214 2.954 ( 9.891 -26.236 0.374) 28.041 3.590 ( -2.274 5.143 0.323) 5.633 4.051 ( 0.963 12.735 9.666) 16.017 4.437 ( -10.660 5.037 -7.138) 13.783 5.069 ( -11.955 -0.047 2.874) 12.296 5.430 ( 1.638 7.527 -4.050) 8.703 5.925 ( 5.132 0.379 -9.271) 10.604 6.670 ( 7.776 1.482 4.498) 9.105 6.822 ( 21.497 -25.579 -1.945) 33.469 7.570 ( 7.638 -3.192 2.135) 8.549 8.137 ( 1.086 -15.945 -0.995) 16.013 9.153 ( -5.406 -13.656 -1.537) 14.767 9.560 ( -4.391 10.880 3.619) 12.278 9.737 ( -6.062 2.721 0.991) 6.718 9.894 ( -9.501 7.974 0.719) 12.425 10.773 ( 15.941 11.098 5.491) 20.184 10.878 ( 1.315 1.226 5.219) 5.520 11.614 ( -5.643 7.072 3.496) 9.699 12.723 ( -5.440 8.025 1.568) 9.821 13.126 ( -5.594 3.636 -0.135) 6.673 13.211 ( -2.686 -2.579 -3.110) 4.852 14.203 ( -8.169 0.610 -11.663) 14.253 14.610 ( 7.924 15.968 -0.672) 17.838 16.522 ( -1.693 -22.165 -14.935) 26.781 17.526 ( -15.455 0.969 11.026) 19.009 18.927 ( 13.297 -1.428 2.454) 13.596 20.028 ( -3.642 3.227 5.971) 7.703 20.783 ( 0.154 -8.538 5.567) 10.194 21.920 ( 1.679 12.177 0.376) 12.298 ======================= Grid point 260 (150/294) ======================= q-point: ( 0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 20.301 -15.743 5.374) 26.246 3.071 ( 29.109 -1.556 6.628) 29.894 3.612 ( -3.147 -0.639 -1.952) 3.758 3.867 ( -15.922 2.992 -5.728) 17.183 4.500 ( -8.267 3.972 2.278) 9.450 4.895 ( -11.596 11.210 5.554) 17.058 5.406 ( 2.208 -2.986 -4.452) 5.797 5.736 ( 3.826 -4.311 0.813) 5.821 6.665 ( 4.086 -5.578 -3.412) 7.710 6.988 ( 23.130 -9.703 -2.714) 25.229 7.693 ( 7.197 -4.506 -3.888) 9.338 8.433 ( 17.173 2.182 -0.540) 17.319 8.844 ( 7.249 5.262 4.682) 10.108 9.465 ( -12.105 2.641 5.547) 13.575 9.732 ( -11.183 2.078 1.319) 11.450 9.930 ( -8.321 5.850 -0.294) 10.176 10.603 ( -5.299 1.474 -3.930) 6.760 11.336 ( 8.043 -8.460 -11.171) 16.157 11.597 ( -17.255 -0.131 0.748) 17.271 12.831 ( -3.516 10.312 -5.425) 12.171 13.111 ( -7.028 -2.891 -1.434) 7.734 13.275 ( -1.381 -1.531 6.473) 6.794 13.992 ( 3.290 10.432 6.812) 12.886 14.530 ( -9.825 -20.918 -1.899) 23.189 16.429 ( 18.169 2.223 10.270) 20.989 17.861 ( -6.969 8.629 16.598) 19.963 18.702 ( 4.505 0.077 -18.726) 19.260 20.152 ( -7.547 4.385 -1.824) 8.917 20.600 ( 1.488 -3.110 9.960) 10.540 22.023 ( -5.755 0.573 -9.425) 11.058 ======================= Grid point 261 (151/294) ======================= q-point: ( 0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 18.731 -10.609 6.372) 22.450 3.530 ( 11.619 -1.865 1.240) 11.833 3.563 ( 10.009 -4.923 -2.536) 11.439 3.660 ( -8.547 12.025 -1.030) 14.790 4.392 ( -8.092 -0.194 1.615) 8.254 4.851 ( -11.516 10.773 7.657) 17.530 5.347 ( -2.121 -4.682 -6.238) 8.083 5.792 ( 5.596 -2.791 2.260) 6.650 6.498 ( -10.533 -1.526 -2.340) 10.897 7.360 ( 19.460 -3.064 -0.281) 19.702 7.845 ( 21.992 -0.322 -6.310) 22.881 8.648 ( 15.267 -8.321 -3.248) 17.688 9.090 ( -0.935 17.011 4.669) 17.665 9.394 ( -1.327 4.505 6.670) 8.158 9.571 ( -8.802 0.003 1.136) 8.875 9.829 ( -7.035 0.775 -0.905) 7.135 10.518 ( -4.060 2.047 -4.100) 6.123 11.193 ( -10.311 -11.055 -9.523) 17.867 11.371 ( -7.029 1.483 1.110) 7.269 12.710 ( -11.363 -0.739 -6.145) 12.939 13.024 ( -0.372 -0.351 1.273) 1.372 13.324 ( 4.214 -0.801 3.568) 5.580 14.163 ( -0.655 -2.652 -0.271) 2.745 14.256 ( 0.293 -4.954 7.399) 8.909 16.751 ( 12.723 -3.208 12.161) 17.890 17.821 ( -8.220 -6.137 7.865) 12.926 18.767 ( 6.713 13.579 -13.960) 20.599 20.041 ( -6.232 2.474 -5.763) 8.842 20.713 ( 2.291 5.811 11.825) 13.373 21.821 ( -9.361 -4.850 -9.511) 14.199 ======================= Grid point 262 (152/294) ======================= q-point: ( 0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 13.949 -5.138 6.162) 16.092 3.517 ( 0.189 -0.796 -7.147) 7.194 3.556 ( 1.922 2.667 1.642) 3.675 3.998 ( 17.046 7.009 2.952) 18.665 4.262 ( -6.018 -3.855 1.046) 7.223 4.774 ( -12.430 2.129 5.161) 13.626 5.167 ( -6.785 -5.223 -6.887) 10.988 5.879 ( 4.712 -0.327 2.653) 5.417 6.346 ( -7.604 2.398 -0.601) 7.996 7.529 ( 5.884 2.759 -0.216) 6.502 8.301 ( 27.421 7.842 -4.090) 28.812 8.730 ( 7.298 -13.389 0.631) 15.262 9.113 ( -7.205 10.141 -1.597) 12.542 9.490 ( -1.997 -0.239 2.392) 3.126 9.505 ( -6.817 4.417 1.270) 8.221 9.816 ( 12.521 -1.908 3.901) 13.253 10.474 ( -2.633 5.973 -2.830) 7.115 10.795 ( -20.803 -4.537 -5.428) 21.973 11.327 ( -0.870 -0.284 0.811) 1.222 12.452 ( -10.849 -6.162 -4.042) 13.116 13.067 ( 3.400 0.059 1.910) 3.900 13.428 ( 7.782 -0.232 0.212) 7.788 14.029 ( -5.617 -2.066 2.673) 6.555 14.414 ( 10.870 -2.272 2.932) 11.485 16.919 ( 3.086 -5.541 12.194) 13.745 17.615 ( -5.707 -11.204 -6.008) 13.936 18.964 ( 6.042 13.748 -0.892) 15.044 19.941 ( -3.922 2.116 -6.973) 8.276 20.905 ( 2.763 10.889 9.609) 14.783 21.519 ( -12.642 -8.410 -8.218) 17.266 ======================= Grid point 263 (153/294) ======================= q-point: ( 0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 6.024 -1.611 3.864) 7.336 3.527 ( 7.724 -2.024 -6.931) 10.573 3.671 ( 3.532 4.897 5.615) 8.245 4.119 ( -1.950 -7.094 -2.608) 7.806 4.302 ( 3.350 5.634 2.438) 6.993 4.515 ( -6.763 -10.761 -4.246) 13.401 5.056 ( -4.602 5.399 1.631) 7.280 5.968 ( 1.941 4.104 1.297) 4.722 6.252 ( -4.675 -0.234 -0.460) 4.704 7.663 ( 6.171 3.393 0.088) 7.042 8.545 ( -11.584 3.551 2.614) 12.395 8.832 ( 21.924 -4.194 -2.497) 22.461 9.107 ( 1.100 2.903 -2.499) 3.985 9.295 ( -12.271 -5.256 -1.840) 13.476 9.489 ( 0.618 -5.942 2.850) 6.619 10.118 ( 18.194 -5.612 5.258) 19.753 10.429 ( -19.135 11.793 -6.121) 23.296 10.537 ( 0.175 11.275 2.070) 11.465 11.351 ( 3.677 0.738 0.266) 3.760 12.217 ( -8.951 -5.059 -0.311) 10.287 13.130 ( 3.374 -0.279 -0.450) 3.415 13.577 ( 9.051 0.528 -0.126) 9.068 13.984 ( -2.254 4.323 0.380) 4.890 14.590 ( 16.191 -8.316 -0.083) 18.202 16.857 ( -10.354 -6.609 4.872) 13.214 17.424 ( 0.734 -8.905 -7.265) 11.516 19.204 ( 6.719 9.467 8.569) 14.429 19.855 ( -4.248 1.461 -6.771) 8.126 21.087 ( 3.974 -0.462 -1.410) 4.242 21.189 ( -15.269 2.793 2.224) 15.681 ======================= Grid point 264 (154/294) ======================= q-point: (-0.50 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.131 ( 2.857 -2.152 -0.830) 3.672 3.610 ( 6.969 -2.038 -4.689) 8.644 3.735 ( -3.759 -1.158 3.258) 5.107 3.969 ( -4.503 -16.264 -6.552) 18.103 4.170 ( -2.773 4.564 1.704) 5.606 4.594 ( 8.258 2.029 -0.940) 8.555 5.102 ( -1.222 9.362 4.301) 10.375 5.974 ( -4.218 1.617 -4.738) 6.546 6.266 ( 5.643 2.731 4.706) 7.839 7.722 ( 0.609 -7.559 -1.462) 7.723 8.324 ( -15.198 -1.054 2.999) 15.527 8.826 ( -11.890 -8.361 -8.683) 16.932 9.164 ( 7.259 -1.558 -1.495) 7.573 9.285 ( 4.365 5.193 7.269) 9.942 9.363 ( -2.711 -13.934 3.806) 14.697 10.192 ( -1.458 8.352 -10.213) 13.273 10.469 ( 5.021 7.556 4.239) 10.013 10.715 ( 2.878 13.433 5.329) 14.736 11.482 ( 10.941 2.078 -0.561) 11.151 12.075 ( -7.015 1.399 3.333) 7.892 13.162 ( 1.878 -0.083 -2.701) 3.291 13.667 ( -0.092 1.247 -0.489) 1.342 14.055 ( 6.401 6.467 -6.368) 11.106 14.804 ( 22.888 -13.399 -0.967) 26.539 16.576 ( -13.747 -6.131 -3.833) 15.533 17.368 ( 1.651 -4.260 -0.845) 4.646 19.457 ( 7.842 6.329 8.486) 13.174 19.724 ( -9.518 -0.836 -1.184) 9.627 20.846 ( -6.440 -12.519 -4.260) 14.709 21.290 ( -2.297 15.132 6.909) 16.793 ======================= Grid point 265 (155/294) ======================= q-point: (-0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( 3.023 -7.465 -6.956) 10.642 3.529 ( -4.734 -14.775 -2.312) 15.686 3.691 ( 0.816 1.133 -2.155) 2.568 3.726 ( -5.794 -3.247 -5.913) 8.892 4.324 ( 7.451 5.728 7.949) 12.308 4.679 ( 0.409 2.990 -2.289) 3.787 5.224 ( 1.045 11.017 2.801) 11.415 5.882 ( -0.272 -3.512 -5.596) 6.612 6.495 ( 9.591 8.033 6.892) 14.284 7.446 ( -13.620 -23.842 -2.330) 27.557 8.141 ( -5.042 -2.093 -1.655) 5.704 8.447 ( -15.957 -9.664 -6.615) 19.793 9.033 ( -9.017 -14.926 3.205) 17.730 9.401 ( 9.328 8.909 4.163) 13.554 9.499 ( 5.797 2.530 4.301) 7.649 10.214 ( -3.620 15.903 -11.559) 19.991 10.594 ( 1.668 1.379 3.340) 3.980 10.902 ( 3.166 7.247 5.665) 9.728 11.732 ( 14.918 3.829 1.457) 15.470 12.051 ( -5.627 9.864 3.955) 12.025 13.168 ( 1.416 0.021 -2.678) 3.030 13.614 ( -6.322 3.020 -2.899) 7.582 14.183 ( 8.788 4.334 -13.394) 16.595 15.041 ( 19.955 -14.851 0.134) 24.875 16.333 ( -2.525 -5.403 -7.495) 9.578 17.370 ( 0.252 0.505 3.330) 3.377 19.439 ( -13.195 -2.038 -11.745) 17.782 19.731 ( 3.197 3.406 21.506) 22.007 20.674 ( -0.036 -10.167 0.786) 10.198 21.423 ( -2.438 13.222 6.113) 14.770 ======================= Grid point 266 (156/294) ======================= q-point: (-0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 1.275 -14.753 -14.574) 20.777 3.266 ( -2.870 -20.816 -7.728) 22.389 3.634 ( -1.685 0.700 -1.570) 2.407 3.730 ( -2.290 8.438 4.184) 9.693 4.564 ( 7.031 5.907 9.498) 13.212 4.665 ( -1.551 4.398 -4.489) 6.473 5.360 ( 0.844 11.174 0.809) 11.235 5.845 ( 4.050 -4.522 -5.316) 8.069 6.727 ( 3.632 -5.422 6.706) 9.357 6.922 ( -14.133 -17.799 -3.875) 23.056 8.052 ( -8.973 -10.028 -7.240) 15.280 8.107 ( 0.672 -5.614 -2.166) 6.055 8.806 ( -6.174 -9.859 4.808) 12.587 9.598 ( 0.508 2.808 4.199) 5.077 9.685 ( 9.804 9.884 3.745) 14.417 10.198 ( -7.598 13.812 -10.925) 19.180 10.593 ( -4.183 0.210 2.161) 4.713 11.018 ( 2.377 0.867 5.187) 5.771 11.991 ( -0.082 14.326 -2.587) 14.558 12.132 ( 6.649 5.858 8.808) 12.494 13.190 ( 1.829 0.441 -0.145) 1.887 13.520 ( -5.898 5.108 -4.588) 9.051 14.253 ( 6.597 3.208 -16.999) 18.514 15.085 ( -1.750 -9.624 1.104) 9.844 16.344 ( 19.811 -11.209 -14.195) 26.825 17.457 ( 3.697 5.569 9.031) 11.236 19.068 ( -21.525 -3.559 -4.506) 22.278 19.936 ( 3.601 3.504 15.040) 15.857 20.639 ( 4.251 -9.153 3.795) 10.782 21.545 ( -1.442 11.074 7.805) 13.625 ======================= Grid point 267 (157/294) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -3.070 -18.039 -18.683) 26.152 2.946 ( 0.313 -28.280 -11.099) 30.381 3.639 ( -0.364 3.976 0.428) 4.016 3.823 ( -3.003 11.793 8.392) 14.783 4.609 ( -1.213 -0.401 0.760) 1.487 4.860 ( 11.615 8.152 2.983) 14.500 5.457 ( -2.046 10.713 -1.867) 11.065 5.845 ( 4.094 -3.012 -6.162) 7.988 6.336 ( -5.044 -34.092 -3.002) 34.594 6.895 ( -5.672 6.968 4.792) 10.183 7.737 ( -10.467 -8.514 -4.036) 14.083 8.165 ( 11.053 -9.641 -3.428) 15.062 8.744 ( 5.500 -3.346 3.426) 7.293 9.628 ( -2.691 2.283 3.573) 5.022 9.907 ( 3.117 6.600 5.089) 8.897 10.099 ( -9.544 9.343 -9.460) 16.367 10.526 ( -5.627 2.530 2.712) 6.739 11.064 ( 0.221 -1.712 4.476) 4.797 11.977 ( -12.427 15.515 -3.224) 20.138 12.448 ( 13.325 5.132 11.066) 18.065 13.206 ( -1.427 2.174 -0.467) 2.642 13.497 ( -1.550 7.383 -3.066) 8.143 14.258 ( 1.508 3.780 -14.268) 14.837 14.878 ( -12.288 -3.210 -3.466) 13.165 16.471 ( 20.428 -16.686 -18.489) 32.211 17.750 ( 16.205 7.586 13.525) 22.429 18.633 ( -24.924 -3.542 -0.266) 25.176 20.085 ( 0.984 2.748 11.250) 11.622 20.658 ( 4.960 -7.920 2.709) 9.730 21.690 ( 0.950 8.758 10.761) 13.907 ======================= Grid point 268 (158/294) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -6.342 -22.466 -21.543) 31.765 2.662 ( 7.290 -31.816 -7.656) 33.526 3.682 ( -1.855 6.671 1.270) 7.039 3.972 ( 2.072 12.459 7.797) 14.843 4.583 ( 0.914 -5.541 -1.394) 5.787 5.130 ( 9.509 2.974 3.383) 10.522 5.447 ( -5.365 6.983 -6.698) 11.064 5.835 ( 0.596 1.359 -8.957) 9.079 6.078 ( 10.155 -25.298 0.245) 27.261 6.843 ( -8.392 4.395 4.868) 10.651 7.522 ( -4.312 -7.537 -0.624) 8.705 8.150 ( 1.503 -12.770 -0.170) 12.859 8.963 ( 18.943 -0.493 -6.880) 20.159 9.607 ( -3.876 2.559 4.977) 6.808 9.940 ( -8.564 7.134 -1.573) 11.256 10.023 ( -0.619 0.738 5.417) 5.502 10.522 ( -3.721 7.826 4.685) 9.851 11.049 ( -2.810 -1.502 2.733) 4.198 11.888 ( -12.178 11.837 0.096) 16.983 12.735 ( 7.205 4.366 10.944) 13.811 13.212 ( -1.673 7.548 -2.461) 8.114 13.491 ( -7.128 4.840 -3.082) 9.150 14.234 ( -0.059 4.093 -4.190) 5.858 14.656 ( -7.960 4.495 -12.725) 15.668 16.440 ( 9.168 -18.578 -16.533) 26.505 18.163 ( -12.740 -4.205 17.176) 21.795 18.280 ( 12.782 6.471 -1.845) 14.444 20.152 ( -2.683 1.569 9.489) 9.985 20.677 ( 4.770 -6.589 -0.322) 8.141 21.865 ( 2.192 7.868 11.141) 13.814 ======================= Grid point 269 (159/294) ======================= q-point: (-0.08 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 6.541 -21.428 -17.743) 28.579 2.488 ( 11.988 -31.950 -2.277) 34.201 3.710 ( -4.002 7.332 1.815) 8.548 4.224 ( 6.344 15.810 5.675) 17.956 4.504 ( -0.474 -8.159 -4.196) 9.187 5.120 ( -3.266 -10.802 -4.726) 12.235 5.452 ( -0.538 4.955 0.478) 5.007 5.818 ( 2.821 2.127 -9.574) 10.205 6.111 ( 14.939 -16.002 -1.715) 21.958 6.844 ( -1.034 7.919 5.601) 9.755 7.450 ( 2.918 -5.786 2.214) 6.848 8.012 ( -2.110 -13.449 0.817) 13.638 9.043 ( 2.393 -9.984 -8.987) 13.644 9.697 ( 2.397 8.823 4.261) 10.087 9.849 ( -5.936 2.767 -0.827) 6.601 10.104 ( -1.800 6.162 6.273) 8.976 10.647 ( 8.081 8.334 9.168) 14.792 10.977 ( -6.039 0.030 -0.069) 6.040 11.827 ( -8.207 8.036 5.535) 12.750 12.898 ( -1.511 6.638 9.347) 11.563 13.226 ( -4.053 4.290 -7.064) 9.205 13.320 ( -11.405 4.772 -0.510) 12.373 14.248 ( -2.853 -0.011 -4.835) 5.614 14.631 ( 4.344 16.312 -8.681) 18.982 16.238 ( 0.920 -21.338 -13.041) 25.024 17.856 ( -17.698 -0.906 8.443) 19.630 18.694 ( 17.400 0.967 4.986) 18.126 20.165 ( -3.737 2.097 9.223) 10.170 20.681 ( 3.926 -7.124 -1.092) 8.207 22.024 ( 0.642 8.702 5.901) 10.534 ======================= Grid point 272 (160/294) ======================= q-point: ( 0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 22.023 -16.471 11.924) 29.975 2.548 ( 34.116 -4.694 4.963) 34.793 3.704 ( -7.608 1.825 -0.930) 7.879 4.096 ( -8.122 3.839 -5.108) 10.334 4.591 ( 0.344 -2.935 -2.379) 3.794 5.171 ( 8.451 10.446 -1.401) 13.509 5.296 ( -7.965 -4.079 9.689) 13.189 5.704 ( -0.488 -1.973 4.758) 5.174 6.147 ( 25.656 -4.143 -6.890) 26.886 6.914 ( -7.828 -4.138 -2.671) 9.249 7.535 ( 5.069 -4.680 -1.982) 7.179 8.161 ( 14.246 -2.445 -1.162) 14.501 8.809 ( 9.443 7.226 9.321) 15.108 9.671 ( -8.003 1.088 -0.469) 8.091 9.887 ( -6.670 -1.096 0.025) 6.760 10.123 ( -8.312 4.177 -2.098) 9.536 10.668 ( -5.207 2.772 -10.519) 12.060 11.098 ( 4.175 -5.918 -3.769) 8.164 11.884 ( -16.268 -0.612 1.223) 16.325 12.905 ( 1.013 9.899 -6.994) 12.163 13.208 ( -8.718 -1.074 -2.513) 9.136 13.391 ( -9.663 -3.450 8.021) 13.024 14.156 ( -3.089 12.470 3.771) 13.389 14.507 ( -9.359 -14.909 3.205) 17.892 16.194 ( 19.066 -0.508 10.661) 21.850 18.113 ( -7.828 -0.371 11.319) 13.767 18.522 ( 6.115 4.905 -17.275) 18.970 20.287 ( -7.677 0.436 -5.271) 9.323 20.575 ( 6.511 -0.665 10.413) 12.299 22.075 ( -5.922 2.046 -10.151) 11.929 ======================= Grid point 273 (161/294) ======================= q-point: ( 0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 21.560 -9.132 11.424) 26.052 3.060 ( 30.157 -5.217 1.132) 30.626 3.590 ( -5.953 0.184 -0.918) 6.026 3.932 ( -13.175 10.375 -4.326) 17.318 4.505 ( -6.467 -4.077 1.328) 7.759 5.199 ( -11.590 5.802 9.168) 15.876 5.283 ( 1.097 -1.184 -5.656) 5.882 5.754 ( 2.024 1.525 6.689) 7.153 6.589 ( 11.425 3.680 -4.399) 12.784 6.816 ( 21.796 -5.055 -0.680) 22.385 7.587 ( 7.137 -1.669 -3.787) 8.250 8.308 ( 13.838 -8.503 -2.683) 16.462 9.149 ( 12.158 7.938 10.130) 17.704 9.534 ( -9.907 2.126 -0.950) 10.177 9.741 ( -9.315 1.879 -2.053) 9.722 9.977 ( -10.442 -1.520 -0.505) 10.564 10.579 ( -3.056 6.958 -9.847) 12.439 11.051 ( 1.773 -8.990 -5.636) 10.758 11.633 ( -14.653 2.320 -0.751) 14.854 12.830 ( -9.557 -1.905 -8.467) 12.910 13.092 ( -4.996 2.763 1.473) 5.895 13.281 ( -1.071 -6.779 5.813) 8.994 14.206 ( -3.460 -0.672 1.438) 3.807 14.336 ( -6.335 3.796 9.038) 11.671 16.536 ( 17.250 -6.080 13.146) 22.524 17.892 ( -9.524 -14.844 -0.592) 17.647 18.712 ( 8.777 17.511 -9.415) 21.733 20.125 ( -7.043 -0.850 -5.816) 9.173 20.757 ( 6.215 3.965 8.495) 11.248 21.900 ( -9.548 -0.026 -8.246) 12.616 ======================= Grid point 274 (162/294) ======================= q-point: ( 0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 19.131 -2.895 9.798) 21.688 3.383 ( 13.762 -5.220 -4.736) 15.462 3.524 ( -0.568 -0.465 0.200) 0.761 3.907 ( 2.237 11.330 -1.614) 11.662 4.339 ( -8.182 -6.962 2.109) 10.949 5.020 ( -14.099 -7.899 0.155) 16.162 5.233 ( -5.571 6.313 0.094) 8.420 5.865 ( 2.943 4.365 6.642) 8.475 6.513 ( -9.409 5.123 -3.513) 11.274 7.381 ( 23.865 4.460 2.183) 24.376 7.774 ( 25.930 0.359 -4.860) 26.384 8.452 ( 14.019 -8.384 -0.316) 16.338 9.343 ( -7.735 3.851 -0.997) 8.698 9.413 ( 5.173 -7.914 1.496) 9.572 9.644 ( -6.034 3.639 -0.493) 7.064 9.766 ( -7.636 -4.840 1.385) 9.146 10.598 ( -2.351 15.853 -5.167) 16.838 10.906 ( -5.601 -6.181 -7.399) 11.150 11.451 ( -9.942 3.194 -0.392) 10.450 12.575 ( -11.934 -4.424 -1.617) 12.830 13.066 ( -1.192 0.543 1.971) 2.367 13.296 ( 5.510 -3.267 0.254) 6.411 14.122 ( -4.616 -4.594 8.457) 10.674 14.381 ( -2.145 8.543 0.611) 8.829 16.799 ( 12.960 -9.008 14.939) 21.732 17.572 ( -8.824 -13.964 -8.906) 18.766 18.960 ( 7.925 12.793 -2.502) 15.255 19.986 ( -4.987 -0.593 -4.716) 6.889 20.926 ( 6.000 1.744 1.339) 6.390 21.681 ( -13.309 2.511 -2.662) 13.803 ======================= Grid point 275 (163/294) ======================= q-point: ( 0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 12.773 0.982 7.392) 14.790 3.374 ( 0.662 -3.912 -6.271) 7.421 3.616 ( 8.693 1.423 0.220) 8.812 4.095 ( -0.461 -3.768 -5.183) 6.425 4.181 ( 6.286 -1.687 6.274) 9.040 4.647 ( -16.744 -9.285 -4.868) 19.755 5.224 ( -5.483 8.285 3.953) 10.693 6.007 ( 2.800 7.783 5.326) 9.838 6.362 ( -9.865 1.173 -5.227) 11.225 7.625 ( 4.485 7.089 -0.813) 8.428 8.318 ( 32.972 -4.660 -0.935) 33.313 8.594 ( 9.291 -1.944 5.425) 10.933 9.159 ( -10.016 0.873 -7.633) 12.623 9.383 ( -6.648 -10.953 -4.235) 13.494 9.455 ( -1.651 -5.948 1.943) 6.471 9.827 ( 10.789 -5.658 5.973) 13.568 10.642 ( -6.168 -1.112 -1.425) 6.427 10.789 ( -5.916 26.878 -7.299) 28.473 11.361 ( -3.835 2.132 -1.132) 4.531 12.370 ( -10.592 -0.569 4.598) 11.561 13.082 ( 1.878 -0.933 0.806) 2.246 13.396 ( 9.884 -0.579 -3.015) 10.350 14.080 ( -2.407 -2.303 7.345) 8.065 14.412 ( -0.232 4.225 -3.877) 5.739 16.932 ( 0.328 -9.969 13.227) 16.566 17.276 ( -1.836 -10.670 -10.147) 14.839 19.187 ( 8.102 7.303 2.496) 11.189 19.892 ( -3.398 -0.845 -2.177) 4.123 20.942 ( 1.710 -8.859 -8.811) 12.611 21.545 ( -11.860 12.882 6.362) 18.630 ======================= Grid point 276 (164/294) ======================= q-point: (-0.50 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -0.778 -3.172 -4.252) 5.362 3.415 ( 11.234 -3.287 1.064) 11.753 3.761 ( 5.999 -0.414 -2.212) 6.407 3.846 ( -9.336 -14.575 -0.765) 17.326 4.323 ( -8.380 1.060 -1.750) 8.626 4.450 ( 11.318 2.843 1.623) 11.782 5.259 ( -3.354 9.307 3.955) 10.654 6.082 ( -9.239 3.885 -6.058) 11.711 6.245 ( 3.705 3.731 3.127) 6.117 7.671 ( -2.032 -2.304 -3.124) 4.382 8.447 ( -2.581 -15.173 5.108) 16.216 8.835 ( 2.115 2.155 -4.860) 5.722 9.013 ( 1.875 -5.456 -6.000) 8.323 9.162 ( 3.157 -6.501 4.133) 8.325 9.422 ( -1.668 -3.314 3.796) 5.308 9.996 ( 13.671 -5.241 -0.409) 14.647 10.557 ( -1.417 4.871 -3.148) 5.971 10.976 ( -4.504 28.749 -0.086) 29.099 11.354 ( 3.033 1.407 -2.483) 4.165 12.283 ( -8.052 6.099 8.818) 13.408 13.108 ( 2.438 -0.816 -1.695) 3.079 13.546 ( 10.345 -0.073 -5.663) 11.794 14.088 ( -0.536 3.739 1.070) 3.926 14.421 ( 5.862 -4.356 -5.758) 9.300 16.724 ( -13.346 -9.474 -0.670) 16.381 17.267 ( 7.007 -5.505 5.172) 10.303 19.382 ( 7.900 2.569 -0.090) 8.308 19.827 ( -3.535 -2.673 6.163) 7.591 20.758 ( -3.009 -11.436 -9.189) 14.975 21.586 ( -7.245 16.708 7.607) 19.736 ======================= Grid point 277 (165/294) ======================= q-point: (-0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( -0.441 -12.789 -14.392) 19.258 3.458 ( -4.459 -19.921 3.457) 20.704 3.661 ( 2.128 1.612 -2.390) 3.583 3.744 ( -1.229 0.600 -2.937) 3.240 4.348 ( 2.946 8.560 4.954) 10.319 4.659 ( 6.931 4.343 1.878) 8.392 5.335 ( -0.584 9.816 1.476) 9.944 5.868 ( -7.433 -4.161 -7.101) 11.090 6.468 ( 8.743 10.455 5.024) 14.525 7.424 ( -13.029 -20.481 -3.829) 24.574 8.184 ( -9.017 -12.667 -4.899) 16.302 8.589 ( -15.055 -7.339 -4.403) 17.318 8.969 ( 0.512 -14.810 4.174) 15.395 9.321 ( 9.384 2.172 2.334) 9.911 9.507 ( 5.354 8.489 7.039) 12.259 10.157 ( 9.941 1.859 -8.119) 12.969 10.627 ( 3.328 5.549 0.230) 6.475 11.104 ( -9.282 18.864 1.903) 21.110 11.507 ( 14.463 3.490 -0.751) 14.897 12.319 ( -6.335 13.782 9.145) 17.712 13.123 ( 1.901 -0.500 -2.568) 3.234 13.623 ( 4.418 -0.052 -9.325) 10.319 14.120 ( -2.278 11.143 -9.524) 14.835 14.512 ( 20.272 -13.969 -2.515) 24.747 16.415 ( -12.968 -7.527 -1.083) 15.033 17.379 ( 4.199 0.218 8.751) 9.709 19.423 ( 0.331 -3.260 -11.870) 12.314 19.846 ( 0.227 -3.661 22.053) 22.356 20.580 ( -1.214 -8.145 -4.994) 9.631 21.679 ( -5.774 15.752 6.367) 17.944 ======================= Grid point 278 (166/294) ======================= q-point: (-0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 1.726 -19.969 -21.175) 29.157 3.130 ( -8.246 -23.398 -3.412) 25.041 3.646 ( -0.172 1.599 -2.138) 2.676 3.854 ( 2.339 9.077 6.363) 11.329 4.548 ( 6.662 8.928 3.926) 11.811 4.747 ( -3.336 3.156 2.508) 5.232 5.439 ( 1.966 9.628 -1.222) 9.902 5.720 ( 0.170 -7.142 -3.241) 7.845 6.703 ( -1.952 -3.245 4.303) 5.732 6.905 ( -7.861 -17.193 -6.526) 20.000 7.930 ( -2.831 -11.140 -8.404) 14.239 8.242 ( -15.976 -6.269 -2.781) 17.386 8.819 ( -4.124 -13.858 7.255) 16.177 9.540 ( 9.546 3.613 2.336) 10.471 9.728 ( 4.574 11.801 6.891) 14.411 10.232 ( 3.431 2.709 -11.157) 11.983 10.723 ( -1.431 6.576 2.688) 7.247 11.086 ( -6.671 7.442 -0.977) 10.042 11.837 ( 18.443 4.684 3.121) 19.283 12.405 ( -8.761 18.529 6.395) 21.470 13.148 ( 3.177 -0.372 -0.226) 3.207 13.601 ( -1.002 3.850 -10.531) 11.257 14.122 ( 1.008 9.492 -15.368) 18.091 14.752 ( 23.330 -14.016 -0.608) 27.223 16.151 ( -8.693 -7.768 -2.439) 11.910 17.518 ( 2.763 6.079 9.599) 11.693 19.228 ( -8.892 -6.217 -9.995) 14.752 19.989 ( 3.692 -4.586 23.599) 24.322 20.508 ( 2.572 -6.043 -1.449) 6.725 21.768 ( -5.089 13.719 6.654) 16.074 ======================= Grid point 279 (167/294) ======================= q-point: (-0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 4.233 -23.942 -24.184) 34.293 2.710 ( -9.097 -26.703 -10.026) 29.939 3.684 ( 0.720 4.403 1.530) 4.717 4.002 ( -0.995 6.432 9.045) 11.143 4.633 ( -7.174 -8.110 2.453) 11.102 4.770 ( 8.730 7.492 1.365) 11.585 5.563 ( 1.600 11.372 -3.038) 11.879 5.685 ( 4.890 -7.895 0.107) 9.287 6.220 ( -14.391 -21.473 -6.737) 26.713 7.012 ( 3.102 6.384 1.800) 7.323 7.777 ( -0.279 -8.039 -8.782) 11.909 7.947 ( -7.226 -7.472 -1.734) 10.538 8.697 ( -1.587 -10.146 7.368) 12.639 9.676 ( 2.236 1.217 3.815) 4.587 9.962 ( 3.633 12.225 5.490) 13.885 10.192 ( -2.051 1.274 -11.147) 11.406 10.710 ( -8.731 7.443 2.609) 11.766 11.065 ( 0.150 0.874 -0.484) 1.010 12.178 ( 11.828 6.964 -1.168) 13.776 12.462 ( -7.365 16.355 9.133) 20.128 13.209 ( 2.977 0.654 1.010) 3.211 13.579 ( -1.249 8.415 -6.822) 10.905 14.165 ( 4.334 9.560 -15.839) 19.001 14.903 ( 6.289 -10.125 0.839) 11.949 15.988 ( 5.277 -11.512 -8.175) 15.074 17.717 ( 6.374 9.224 9.107) 14.444 18.922 ( -15.852 -5.782 -4.234) 17.397 20.137 ( 3.476 -5.624 20.938) 21.957 20.513 ( 4.594 -5.062 -0.680) 6.870 21.859 ( -3.179 10.375 8.985) 14.088 ======================= Grid point 280 (168/294) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 0.566 -24.459 -25.488) 35.330 2.226 ( -4.018 -32.584 -11.807) 34.889 3.741 ( 1.664 -2.193 3.397) 4.372 3.961 ( -0.330 -17.345 3.461) 17.691 4.531 ( -1.824 -0.065 7.574) 7.790 5.001 ( 10.870 6.326 -2.297) 12.785 5.593 ( -6.255 9.790 -6.784) 13.454 5.760 ( 6.664 0.445 0.673) 6.713 5.893 ( -5.211 -7.245 -4.844) 10.154 7.023 ( -5.992 0.769 2.767) 6.644 7.578 ( -10.055 -3.620 -2.510) 10.978 7.921 ( 10.910 -10.413 -3.843) 15.564 8.688 ( 7.354 -5.677 0.553) 9.307 9.706 ( -2.141 0.871 5.198) 5.689 10.067 ( -4.347 -0.554 -5.197) 6.798 10.098 ( -2.620 4.657 4.967) 7.295 10.697 ( -4.150 10.632 3.075) 11.821 11.078 ( -0.186 0.500 0.666) 0.853 12.224 ( -11.659 11.839 -3.809) 17.047 12.680 ( 9.345 6.964 11.225) 16.181 13.276 ( 1.840 5.731 0.254) 6.025 13.622 ( -2.205 9.127 -3.312) 9.957 14.232 ( 2.343 7.988 -10.279) 13.228 14.782 ( -9.737 -2.143 -2.293) 10.231 15.984 ( 13.940 -15.322 -11.735) 23.807 18.033 ( 15.868 8.587 7.113) 19.394 18.556 ( -21.073 -4.811 1.717) 21.684 20.235 ( 0.974 -6.396 17.605) 18.756 20.539 ( 4.161 -2.581 -3.472) 6.002 21.978 ( 0.302 6.553 12.157) 13.814 ======================= Grid point 281 (169/294) ======================= q-point: (-0.08 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -2.794 -26.526 -21.826) 34.464 1.945 ( 12.389 -34.284 -5.520) 36.869 3.704 ( 21.099 -38.555 -3.580) 44.096 3.895 ( -0.075 -0.178 2.181) 2.190 4.598 ( -4.440 12.178 8.766) 15.648 5.113 ( -3.094 2.080 -6.594) 7.575 5.568 ( -3.236 11.509 -1.756) 12.084 5.738 ( -1.155 -0.086 -9.441) 9.511 5.910 ( 5.893 -0.020 1.182) 6.010 6.958 ( -2.800 0.790 4.366) 5.246 7.419 ( -4.018 -3.557 2.063) 5.749 7.917 ( 1.543 -11.446 0.339) 11.555 8.783 ( 10.618 -5.068 -12.126) 16.896 9.744 ( 1.735 3.331 6.985) 7.931 9.944 ( -4.894 -0.329 -3.805) 6.208 10.159 ( 2.088 -1.098 12.110) 12.338 10.775 ( -3.408 11.925 4.574) 13.219 11.063 ( -3.444 2.114 -0.305) 4.053 12.096 ( -11.717 7.432 1.779) 13.989 12.956 ( 7.984 7.873 9.012) 14.385 13.348 ( -4.849 7.758 -1.311) 9.242 13.566 ( -11.028 7.266 -1.864) 13.338 14.244 ( -0.521 -1.792 -1.582) 2.447 14.683 ( -0.714 13.276 -9.506) 16.344 15.928 ( 5.541 -17.770 -10.713) 21.476 18.191 ( -19.286 -1.579 3.469) 19.659 18.446 ( 18.742 3.407 7.288) 20.396 20.266 ( -0.669 -5.709 13.202) 14.399 20.552 ( 2.624 -0.473 -6.274) 6.817 22.124 ( 1.212 5.246 10.640) 11.925 ======================= Grid point 321 (170/294) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -0.000 0.000 28.266) 28.266 1.016 ( 0.000 0.000 28.266) 28.266 2.495 ( 0.000 0.000 65.766) 65.766 4.087 ( -0.000 -0.000 -2.675) 2.675 4.871 ( -0.000 -0.000 -17.225) 17.225 4.871 ( 0.000 -0.000 -17.225) 17.225 6.008 ( -0.000 0.000 6.929) 6.929 6.008 ( 0.000 0.000 6.929) 6.929 6.536 ( -0.000 -0.000 -10.311) 10.311 7.583 ( 0.000 0.000 1.344) 1.344 7.583 ( 0.000 0.000 1.344) 1.344 8.288 ( -0.000 -0.000 -9.225) 9.225 8.646 ( 0.000 0.000 11.669) 11.669 8.646 ( 0.000 0.000 11.669) 11.669 9.929 ( -0.000 0.000 4.102) 4.102 9.929 ( 0.000 0.000 4.102) 4.102 11.208 ( -0.000 -0.000 -4.720) 4.720 11.512 ( -0.000 -0.000 -4.902) 4.902 11.913 ( 0.000 -0.000 -15.066) 15.066 11.913 ( 0.000 -0.000 -15.066) 15.066 13.781 ( -0.000 0.000 4.947) 4.947 13.781 ( 0.000 0.000 4.947) 4.947 14.133 ( 0.000 0.000 7.054) 7.054 15.553 ( 0.000 0.000 12.981) 12.981 15.553 ( 0.000 0.000 12.981) 12.981 17.728 ( 0.000 0.000 1.155) 1.155 18.235 ( -0.000 -0.000 -9.617) 9.617 18.235 ( 0.000 -0.000 -9.617) 9.617 20.515 ( -0.000 -0.000 -6.623) 6.623 21.951 ( 0.000 0.000 4.898) 4.898 ======================= Grid point 322 (171/294) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 3.534 16.606 23.705) 29.158 1.771 ( 34.023 12.515 24.138) 43.552 3.061 ( 19.939 9.720 55.778) 60.027 3.990 ( -6.727 -2.240 -2.422) 7.493 4.584 ( -6.624 -6.667 -17.837) 20.162 4.920 ( 5.861 0.274 -16.208) 17.237 5.848 ( -13.044 -4.459 6.719) 15.336 6.116 ( 4.683 -3.134 3.782) 6.786 6.595 ( 6.100 8.345 -7.871) 12.992 7.107 ( -35.296 -29.258 16.037) 48.570 7.602 ( -12.012 15.289 4.284) 19.909 7.739 ( -0.379 -0.854 5.649) 5.725 8.703 ( 12.699 -24.978 8.598) 29.310 9.451 ( 19.700 27.120 -11.100) 35.310 9.892 ( -3.048 8.078 1.735) 8.807 10.075 ( 3.343 2.238 3.891) 5.597 11.087 ( -6.374 -4.969 -4.756) 9.378 11.295 ( -11.617 4.370 -0.955) 12.448 11.672 ( -2.042 -7.323 -15.722) 17.464 12.502 ( 30.769 20.874 -25.805) 45.258 13.623 ( -9.441 -10.165 4.732) 14.658 13.852 ( -5.050 3.832 5.706) 8.529 14.185 ( 2.970 -1.049 6.231) 6.982 15.544 ( -7.720 6.900 13.883) 17.319 15.689 ( 9.328 -15.109 17.869) 25.192 17.824 ( -9.100 4.639 -14.062) 17.381 18.309 ( 11.637 11.730 -11.029) 19.865 18.432 ( 33.120 4.663 -14.717) 36.541 20.482 ( 0.171 0.717 -6.486) 6.528 22.007 ( 2.449 1.522 2.070) 3.549 ======================= Grid point 323 (172/294) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 12.507 20.240 16.372) 28.881 2.426 ( 15.497 6.694 29.002) 33.557 3.789 ( -0.118 -1.075 1.091) 1.536 4.048 ( 34.051 18.502 30.416) 49.264 4.301 ( -7.536 -7.017 -14.768) 18.003 4.883 ( 5.169 -6.382 -14.913) 17.025 5.598 ( -16.386 -6.380 7.570) 19.144 6.154 ( 1.340 -5.196 -1.540) 5.583 6.560 ( -15.040 -10.626 17.733) 25.566 6.742 ( 0.941 10.260 -6.094) 11.970 7.625 ( -5.265 13.219 5.767) 15.353 7.808 ( 2.639 0.839 5.170) 5.865 8.702 ( 8.857 -20.057 5.527) 22.611 9.673 ( 4.872 -1.997 -4.264) 6.775 9.994 ( -0.397 12.369 -9.630) 15.681 10.090 ( -7.104 4.151 2.375) 8.564 10.927 ( -4.822 1.459 -4.340) 6.649 11.187 ( -12.762 13.467 -2.682) 18.747 11.548 ( 5.533 -8.321 -6.502) 11.921 12.818 ( 7.517 12.176 -20.289) 24.827 13.383 ( -9.640 -11.717 5.513) 16.143 13.762 ( -11.859 1.416 6.113) 13.417 14.295 ( 6.138 0.242 4.410) 7.562 15.559 ( -9.666 2.459 17.842) 20.441 15.833 ( 15.371 -16.328 16.181) 27.653 17.543 ( -11.891 -2.249 -16.295) 20.297 18.510 ( 8.198 12.959 -8.281) 17.427 18.962 ( 32.492 4.859 -23.561) 40.428 20.455 ( -0.328 1.406 -4.950) 5.156 22.060 ( 2.043 0.953 -2.028) 3.033 ======================= Grid point 324 (173/294) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 14.653 17.909 10.412) 25.375 2.827 ( 8.331 4.006 27.216) 28.743 3.690 ( -3.675 -0.217 -2.828) 4.642 4.037 ( -8.152 -5.439 -10.339) 14.246 4.770 ( 1.824 -5.502 -8.656) 10.418 5.059 ( 37.262 10.399 11.952) 40.490 5.286 ( -19.066 -5.974 9.208) 22.000 6.016 ( -2.744 -9.324 1.144) 9.787 6.566 ( 4.513 5.043 7.411) 10.036 6.783 ( -3.770 7.893 -0.484) 8.760 7.743 ( -0.736 13.261 5.677) 14.444 7.904 ( 4.167 2.665 5.447) 7.358 8.702 ( 7.102 -12.224 2.676) 14.389 9.658 ( 1.646 -8.539 -0.216) 8.699 9.895 ( -7.682 -3.647 -10.685) 13.656 9.967 ( -10.875 5.037 -1.410) 12.067 10.912 ( -1.129 6.369 -5.023) 8.189 11.045 ( -14.179 11.335 -8.708) 20.134 11.639 ( 9.413 0.440 3.867) 10.186 12.817 ( -3.105 4.107 -12.177) 13.221 13.174 ( -7.697 -8.605 5.131) 12.634 13.605 ( -11.804 0.186 6.263) 13.364 14.412 ( 3.668 0.394 4.100) 5.515 15.457 ( -13.834 -5.263 17.625) 23.016 16.095 ( 19.600 -9.509 15.165) 26.543 17.236 ( -9.267 -5.369 -13.972) 17.604 18.718 ( 7.883 12.854 -9.244) 17.687 19.290 ( 20.955 1.486 -20.153) 29.111 20.448 ( 0.354 2.446 -2.428) 3.465 22.061 ( 0.634 -0.635 -4.961) 5.041 ======================= Grid point 325 (174/294) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 13.767 14.807 6.207) 21.149 3.139 ( 8.556 2.775 21.014) 22.858 3.662 ( -0.292 2.640 -0.451) 2.694 3.796 ( -9.039 -4.258 -8.090) 12.856 4.641 ( -2.314 -7.074 -7.375) 10.478 4.906 ( -19.103 -12.646 7.665) 24.157 5.479 ( 2.213 0.238 -3.588) 4.222 6.158 ( 17.403 1.180 8.079) 19.224 6.579 ( -7.136 -2.273 -4.383) 8.677 7.009 ( 15.366 16.795 9.214) 24.558 7.870 ( -2.895 13.968 1.069) 14.304 8.104 ( 11.199 4.104 7.471) 14.074 8.740 ( 6.088 -4.509 0.836) 7.621 9.546 ( -5.172 -12.228 3.357) 13.695 9.659 ( -6.007 -6.141 -4.889) 9.884 9.844 ( -8.817 4.791 -4.054) 10.822 10.783 ( -11.318 -4.270 -0.610) 12.112 10.994 ( -0.772 16.275 -11.742) 20.084 11.814 ( 5.765 3.094 0.061) 6.544 12.691 ( -4.893 -2.902 -7.119) 9.113 13.043 ( -4.028 -4.105 4.593) 7.360 13.467 ( -9.967 1.021 5.727) 11.540 14.442 ( -1.736 -5.756 6.842) 9.108 15.248 ( -16.758 -0.570 9.903) 19.474 16.460 ( 22.148 -8.460 17.721) 29.599 16.984 ( -6.083 -6.324 -7.652) 11.643 18.871 ( 4.821 9.990 -12.858) 16.981 19.484 ( 14.007 2.233 -12.902) 19.174 20.488 ( 1.461 3.962 0.422) 4.244 22.016 ( 0.153 -1.984 -7.133) 7.406 ======================= Grid point 326 (175/294) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( 10.602 11.032 4.684) 16.001 3.415 ( 9.057 1.622 13.831) 16.612 3.549 ( -10.297 -3.729 -3.677) 11.552 3.698 ( 0.093 1.604 -1.866) 2.462 4.479 ( -12.062 -3.651 1.980) 12.757 4.567 ( -6.589 -9.473 1.843) 11.685 5.430 ( 0.332 -2.231 -6.423) 6.808 6.269 ( -8.586 -4.183 -6.252) 11.415 6.520 ( 5.610 2.031 7.653) 9.704 7.486 ( 15.526 12.241 0.286) 19.773 7.939 ( -3.056 12.967 -0.841) 13.349 8.350 ( 9.422 -3.034 4.108) 10.717 8.848 ( 7.888 2.609 3.225) 8.913 9.363 ( -6.078 -6.752 4.721) 10.238 9.521 ( -8.283 -2.632 3.735) 9.460 9.693 ( -4.412 -3.411 -5.938) 8.146 10.602 ( -6.049 -0.699 0.233) 6.094 11.117 ( 3.755 14.906 -5.279) 16.253 11.841 ( -0.948 -0.965 -8.538) 8.644 12.553 ( -1.177 -5.505 -5.878) 8.139 13.015 ( 0.456 -2.596 4.963) 5.619 13.367 ( -7.874 3.250 3.516) 9.216 14.310 ( -7.956 -15.913 11.272) 21.061 15.066 ( -15.209 11.993 0.959) 19.392 16.698 ( 5.196 -22.551 9.870) 25.159 16.973 ( 12.696 5.567 9.739) 16.942 18.902 ( 0.435 6.161 -15.609) 16.786 19.665 ( 11.043 5.045 -6.471) 13.757 20.572 ( 1.507 5.824 3.309) 6.866 21.953 ( 1.213 -2.865 -9.157) 9.671 ======================= Grid point 327 (176/294) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( -8.663 -4.972 6.529) 11.933 3.419 ( -3.515 6.168 -0.732) 7.136 3.595 ( 4.783 -4.134 5.444) 8.343 3.646 ( -2.154 -0.543 -2.856) 3.618 4.307 ( -4.026 -0.393 7.479) 8.503 4.556 ( 5.410 2.778 -0.478) 6.101 5.395 ( 2.182 -1.405 -6.490) 6.990 6.013 ( -10.376 -5.224 -3.915) 12.258 6.677 ( 3.839 6.286 2.498) 7.778 7.596 ( -8.116 -0.091 -4.847) 9.454 7.990 ( -6.118 5.791 -1.810) 8.617 8.347 ( 4.200 -14.920 0.550) 15.510 9.052 ( 0.768 1.291 2.355) 2.793 9.221 ( -5.107 3.803 5.210) 8.227 9.489 ( 4.542 3.006 8.598) 10.178 9.665 ( 5.709 -1.170 -2.479) 6.334 10.566 ( -1.181 2.876 0.890) 3.234 11.323 ( 6.227 13.041 0.172) 14.452 11.679 ( -6.072 -4.425 -14.182) 16.050 12.505 ( 6.378 -5.238 -6.727) 10.647 13.055 ( 3.014 -1.443 4.797) 5.846 13.317 ( -4.846 5.449 0.897) 7.347 14.072 ( -8.728 -17.093 13.209) 23.298 14.976 ( -13.279 17.668 -2.037) 22.195 16.557 ( -0.958 -21.405 9.340) 23.373 17.352 ( 17.062 0.337 14.016) 22.084 18.838 ( -3.523 5.943 -14.210) 15.800 19.858 ( 9.545 5.884 -3.353) 11.704 20.674 ( -0.196 6.775 5.430) 8.684 21.900 ( 3.589 -3.186 -11.314) 12.290 ======================= Grid point 328 (177/294) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -19.417 -10.176 9.175) 23.764 3.216 ( -18.500 -12.892 8.119) 23.966 3.610 ( 0.404 -0.023 -0.767) 0.867 3.770 ( 10.389 12.239 -8.511) 18.170 4.423 ( 7.888 2.726 7.519) 11.233 4.735 ( 10.529 5.046 -1.120) 11.729 5.389 ( 2.043 0.071 -5.315) 5.694 5.822 ( -6.219 -2.613 0.016) 6.746 6.790 ( -0.909 7.845 -0.815) 7.939 7.164 ( -26.164 -17.643 -5.272) 31.994 7.835 ( -12.127 2.490 0.452) 12.388 8.282 ( 2.586 -17.182 1.374) 17.430 8.884 ( -8.661 -0.214 -1.753) 8.840 9.458 ( 8.462 10.229 6.972) 14.995 9.713 ( 9.267 5.279 7.424) 12.995 9.790 ( 8.978 3.280 -1.600) 9.692 10.593 ( 0.127 3.764 -1.688) 4.127 11.366 ( -6.467 -7.699 -10.855) 14.796 11.626 ( 6.582 14.712 0.400) 16.123 12.561 ( 11.234 -6.086 -8.082) 15.119 13.139 ( 3.472 2.229 2.942) 5.067 13.322 ( -0.997 4.648 1.664) 5.036 13.925 ( -1.255 -10.486 13.135) 16.854 14.919 ( -12.924 17.149 -1.547) 21.529 16.387 ( -2.517 -21.639 11.257) 24.521 17.671 ( 15.852 -4.852 8.487) 18.624 18.746 ( -7.681 9.561 -9.697) 15.635 20.047 ( 8.804 5.558 -2.078) 10.617 20.732 ( -3.805 3.940 5.201) 7.554 21.883 ( 6.464 -1.970 -13.011) 14.661 ======================= Grid point 329 (178/294) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( -22.256 -11.225 15.826) 29.526 2.762 ( -25.299 -15.786 9.225) 31.214 3.656 ( 4.324 3.102 -1.225) 5.461 3.995 ( 8.971 10.072 -9.851) 16.702 4.601 ( 3.554 2.395 1.837) 4.663 4.909 ( 9.816 -5.486 -2.230) 11.463 5.419 ( 1.750 4.993 1.781) 5.582 5.760 ( -1.322 -0.662 3.109) 3.443 6.332 ( -32.885 -16.506 -2.568) 36.885 6.967 ( 2.572 6.246 -2.886) 7.346 7.679 ( -10.635 2.361 2.418) 11.159 8.114 ( -3.030 -17.308 2.399) 17.734 8.780 ( -3.759 -1.400 -0.665) 4.065 9.664 ( 3.637 5.933 0.111) 6.960 9.943 ( 3.868 9.200 7.250) 12.336 9.977 ( 11.492 1.523 -2.357) 11.830 10.611 ( 0.611 4.804 -6.291) 7.939 11.144 ( -4.735 -4.689 -5.198) 8.451 11.923 ( 8.487 16.710 3.500) 19.066 12.630 ( 11.136 -7.869 -9.043) 16.362 13.211 ( 1.025 3.624 -1.078) 3.917 13.426 ( 6.085 4.164 5.708) 9.325 14.004 ( 8.292 -2.292 11.766) 14.576 14.850 ( -12.489 13.615 -0.312) 18.478 16.196 ( -4.438 -21.163 11.823) 24.644 17.887 ( 15.873 -9.210 0.143) 18.353 18.653 ( -12.074 13.984 -4.570) 19.032 20.220 ( 7.173 5.330 -3.647) 9.652 20.666 ( -6.881 -3.722 2.089) 8.097 21.919 ( 7.699 0.972 -13.177) 15.292 ======================= Grid point 334 (179/294) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 24.336 24.967 21.564) 40.995 1.783 ( -19.057 31.407 22.979) 43.331 3.357 ( -1.341 10.741 55.212) 56.263 3.989 ( 2.117 -5.778 -0.528) 6.176 4.442 ( -3.249 -10.635 -18.227) 21.352 4.847 ( -2.190 7.632 -16.859) 18.635 5.932 ( 5.894 -8.689 4.508) 11.427 6.080 ( -8.616 -4.219 3.298) 10.145 6.567 ( 4.832 13.073 -7.165) 15.671 7.184 ( -7.962 -39.924 12.694) 42.643 7.651 ( 16.315 -1.616 3.262) 16.716 7.807 ( 2.725 -0.230 4.284) 5.082 8.686 ( -29.254 -5.112 7.346) 30.592 9.328 ( 16.060 20.097 -4.879) 26.184 9.908 ( 4.282 -0.586 1.989) 4.758 10.142 ( 2.112 8.429 5.637) 10.358 11.051 ( -2.113 -7.755 -5.252) 9.601 11.189 ( 7.304 -11.905 -4.590) 14.702 11.928 ( -4.334 11.169 -16.079) 20.052 12.139 ( 4.328 28.703 -22.009) 36.428 13.701 ( -6.288 -8.619 4.059) 11.415 13.872 ( 8.248 -0.922 4.375) 9.382 14.216 ( -2.138 0.453 5.800) 6.198 15.533 ( 2.681 -13.026 15.689) 20.567 15.900 ( -10.305 10.991 19.171) 24.383 17.905 ( 17.808 -0.345 -12.192) 21.584 18.028 ( -11.282 11.269 -14.149) 21.318 18.400 ( -5.745 24.082 -11.307) 27.217 20.449 ( 0.532 1.721 -6.500) 6.745 21.998 ( -0.046 -2.084 3.310) 3.911 ======================= Grid point 335 (180/294) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -8.376 32.857 18.695) 38.720 2.363 ( 25.095 19.031 21.619) 38.201 3.766 ( 4.903 0.593 15.468) 16.237 4.064 ( 8.398 9.688 28.093) 30.880 4.171 ( -2.573 -9.186 -17.816) 20.209 4.744 ( -2.684 -0.019 -14.826) 15.067 5.824 ( -12.573 -7.104 7.263) 16.165 6.010 ( 5.303 -6.867 -3.509) 9.359 6.740 ( -8.663 -13.773 14.297) 21.660 6.781 ( 1.049 4.695 -4.870) 6.845 7.818 ( 1.223 2.523 4.171) 5.026 7.870 ( -0.991 9.194 2.902) 9.692 8.443 ( 1.368 -13.533 8.346) 15.959 9.556 ( 5.095 0.620 -4.437) 6.785 9.981 ( 2.325 1.859 -6.341) 7.005 10.277 ( -3.214 8.079 5.686) 10.389 10.909 ( -0.967 -5.012 -4.421) 6.752 11.247 ( 12.561 -7.202 -1.977) 14.614 11.653 ( -21.226 16.317 -14.970) 30.674 12.570 ( 20.752 14.651 -19.353) 31.935 13.479 ( -10.057 -10.742 4.446) 15.372 13.982 ( -2.278 4.087 3.274) 5.710 14.218 ( 1.403 -1.580 5.091) 5.512 15.553 ( 5.916 -20.608 19.021) 28.662 15.916 ( -11.662 10.950 19.266) 25.042 17.636 ( -12.831 -4.845 -17.741) 22.424 18.421 ( 26.369 16.054 -18.411) 35.945 18.518 ( 2.883 18.697 -8.553) 20.762 20.446 ( 0.461 3.067 -5.289) 6.131 21.997 ( 2.022 -4.719 0.481) 5.156 ======================= Grid point 336 (181/294) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -0.399 27.988 13.897) 31.251 2.912 ( 9.257 9.128 24.794) 27.995 3.731 ( -3.938 -1.301 -2.398) 4.790 3.978 ( 0.150 -8.655 -11.335) 14.263 4.566 ( 4.908 -6.520 -9.266) 12.348 4.786 ( 21.911 16.083 19.838) 33.650 5.577 ( -15.178 -4.668 8.857) 18.183 5.940 ( -0.520 -10.767 -4.663) 11.745 6.583 ( 0.057 -4.323 8.184) 9.256 6.909 ( -0.713 9.308 1.241) 9.417 7.867 ( -0.260 4.797 4.999) 6.933 7.981 ( 0.069 11.007 3.513) 11.554 8.483 ( 9.519 -8.737 5.496) 14.041 9.553 ( 1.502 -4.843 -3.733) 6.296 9.886 ( -5.394 -5.570 -9.559) 12.309 10.213 ( -11.969 5.461 1.080) 13.200 10.908 ( 2.700 0.825 -1.200) 3.068 11.329 ( -6.541 0.078 -11.160) 12.936 11.473 ( 3.504 6.822 -1.941) 7.911 12.765 ( 4.681 3.020 -12.212) 13.423 13.266 ( -8.108 -8.120 5.532) 12.739 13.903 ( -14.550 8.855 1.956) 17.145 14.321 ( 8.178 -3.304 4.811) 10.047 15.541 ( 3.045 -26.053 24.408) 35.830 16.001 ( -2.019 11.294 13.064) 17.386 17.284 ( -11.797 -3.321 -16.921) 20.893 18.672 ( 5.909 15.398 -12.873) 20.922 18.878 ( 22.212 11.429 -13.913) 28.593 20.461 ( 0.444 4.086 -2.820) 4.985 21.970 ( 2.295 -6.843 -3.260) 7.920 ======================= Grid point 337 (182/294) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 3.662 22.968 9.502) 25.124 3.195 ( 3.187 3.176 20.574) 21.060 3.687 ( -0.309 3.288 -2.507) 4.146 3.834 ( -4.698 -5.136 -4.568) 8.326 4.476 ( 4.367 -8.690 -10.581) 14.372 5.069 ( -7.942 -12.650 5.272) 15.839 5.487 ( -3.736 2.766 2.939) 5.500 5.939 ( 14.141 1.725 6.205) 15.538 6.602 ( -1.531 -3.840 -2.634) 4.902 7.039 ( 5.908 11.144 10.018) 16.107 7.982 ( 3.732 5.374 3.660) 7.497 8.133 ( 1.154 15.803 3.096) 16.145 8.612 ( 7.751 -0.561 3.076) 8.358 9.493 ( 0.718 -7.454 -1.217) 7.587 9.641 ( -7.601 -9.261 -6.964) 13.858 10.072 ( -12.251 6.883 -1.560) 14.139 10.901 ( -5.813 -3.879 2.002) 7.269 11.122 ( -7.734 9.583 -11.013) 16.521 11.635 ( 11.963 -4.736 -4.454) 13.616 12.686 ( -3.962 -6.052 -6.089) 9.455 13.124 ( -6.206 -3.999 4.931) 8.879 13.748 ( -15.387 9.339 1.635) 18.073 14.409 ( 3.206 -6.880 4.756) 8.957 15.456 ( -4.192 -18.678 22.975) 29.904 16.220 ( 9.928 4.836 9.797) 14.763 17.011 ( -7.855 -0.849 -10.398) 13.060 18.807 ( 5.031 9.979 -13.510) 17.533 19.230 ( 16.115 12.417 -10.057) 22.695 20.512 ( 1.554 5.403 0.160) 5.624 21.903 ( 1.983 -8.403 -6.517) 10.817 ======================= Grid point 338 (183/294) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 4.953 19.072 7.303) 21.015 3.364 ( 4.810 -2.147 12.400) 13.473 3.651 ( -7.311 -1.081 -4.436) 8.620 3.741 ( -1.210 3.779 1.894) 4.397 4.435 ( 4.676 -5.484 -4.937) 8.736 4.738 ( -16.341 -12.285 5.076) 21.065 5.379 ( -2.997 -3.965 -6.199) 7.946 6.252 ( 6.594 1.232 -1.641) 6.906 6.461 ( 0.003 -8.545 4.871) 9.835 7.413 ( 13.533 16.751 4.924) 22.090 8.066 ( -0.417 2.601 0.985) 2.812 8.335 ( 0.224 16.157 0.330) 16.162 8.778 ( 8.130 5.991 3.808) 10.793 9.413 ( -4.951 -7.628 5.165) 10.458 9.472 ( 3.961 -6.174 -4.100) 8.404 9.877 ( -16.726 2.348 -2.993) 17.153 10.712 ( -8.587 -3.161 0.720) 9.179 11.165 ( 2.822 11.386 -3.682) 12.294 11.676 ( 6.583 -9.829 -10.245) 15.650 12.497 ( -4.441 -10.682 -3.859) 12.195 13.043 ( -3.365 -2.171 4.192) 5.797 13.605 ( -12.734 8.496 0.342) 15.312 14.332 ( -4.460 -13.965 7.297) 16.376 15.352 ( -7.571 -6.112 14.981) 17.863 16.438 ( 8.634 -8.059 4.681) 12.705 16.954 ( 2.901 6.667 3.019) 7.873 18.865 ( 2.094 6.815 -11.745) 13.739 19.528 ( 11.239 13.617 -6.673) 18.875 20.618 ( 2.842 7.233 2.675) 8.219 21.803 ( 2.366 -9.643 -9.336) 13.629 ======================= Grid point 339 (184/294) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( -5.252 3.247 9.424) 11.267 3.423 ( 4.580 -0.165 -0.785) 4.649 3.587 ( -0.724 4.569 1.838) 4.978 3.718 ( -6.225 -0.149 1.449) 6.394 4.446 ( -7.184 -6.581 4.601) 10.775 4.487 ( 2.977 2.484 0.122) 3.879 5.292 ( 1.929 -3.536 -7.152) 8.208 6.088 ( -8.849 -7.273 -4.505) 12.309 6.594 ( 9.703 -2.443 3.268) 10.526 7.721 ( -0.326 14.904 -2.718) 15.153 8.057 ( 1.958 -5.702 2.596) 6.564 8.343 ( -11.794 7.404 -2.825) 14.209 9.049 ( 8.722 11.077 6.010) 15.326 9.358 ( -0.946 -1.812 4.621) 5.053 9.534 ( 6.967 -0.920 4.246) 8.210 9.563 ( -13.294 -2.148 -4.190) 14.103 10.625 ( -2.357 1.024 1.238) 2.853 11.323 ( 5.871 5.493 -1.765) 8.231 11.571 ( 1.122 -7.065 -11.249) 13.331 12.332 ( 1.016 -10.453 -5.293) 11.761 13.025 ( 0.716 -2.309 4.404) 5.024 13.503 ( -9.124 8.570 -1.036) 12.561 14.128 ( -7.882 -16.221 10.824) 21.033 15.271 ( -7.568 0.110 8.180) 11.144 16.409 ( 0.483 -13.252 3.033) 13.603 17.205 ( 11.519 6.173 7.443) 15.039 18.887 ( -0.632 7.715 -5.900) 9.733 19.773 ( 7.841 12.140 -4.919) 15.266 20.761 ( 2.106 8.759 3.706) 9.741 21.695 ( 4.341 -10.301 -11.959) 16.370 ======================= Grid point 340 (185/294) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( -15.299 -11.253 10.953) 21.924 3.487 ( -16.554 -3.767 5.055) 17.714 3.569 ( 4.413 2.200 0.912) 5.014 3.689 ( 4.810 7.872 -6.537) 11.307 4.406 ( 2.286 -0.529 8.209) 8.537 4.627 ( 7.504 6.673 -4.152) 10.866 5.287 ( 5.019 -1.646 -5.410) 7.561 5.883 ( -6.065 -5.343 -0.845) 8.126 6.728 ( 9.428 -1.698 -1.931) 9.772 7.509 ( -28.290 -1.930 -4.824) 28.763 8.073 ( -2.048 -4.607 4.300) 6.626 8.168 ( -9.979 3.385 0.474) 10.548 9.071 ( -13.583 3.036 -1.933) 14.052 9.460 ( 7.712 8.882 6.520) 13.449 9.553 ( 10.492 -2.349 -0.231) 10.754 9.729 ( 9.173 6.418 5.591) 12.514 10.628 ( -0.577 2.607 -0.176) 2.676 11.266 ( -0.586 -12.233 -10.784) 16.318 11.645 ( 7.044 10.877 1.902) 13.097 12.282 ( 7.861 -7.501 -8.341) 13.697 13.077 ( 4.851 -2.015 4.324) 6.804 13.454 ( -6.217 8.094 -0.701) 10.230 13.950 ( -4.397 -12.476 13.621) 18.987 15.192 ( -6.968 -0.353 4.406) 8.252 16.289 ( -2.450 -13.070 5.309) 14.318 17.453 ( 10.636 1.080 1.221) 10.760 18.928 ( -3.844 10.828 1.495) 11.587 19.964 ( 6.892 8.963 -3.949) 11.976 20.848 ( -2.958 4.510 1.099) 5.504 21.637 ( 8.516 -6.435 -12.809) 16.673 ======================= Grid point 341 (186/294) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -17.993 -14.361 16.566) 28.362 3.139 ( -24.038 -4.982 6.881) 25.495 3.616 ( 2.293 0.669 0.560) 2.453 3.862 ( 9.946 7.996 -9.612) 15.977 4.549 ( 7.840 0.215 7.294) 10.711 4.747 ( 4.510 3.213 -9.063) 10.620 5.370 ( 7.346 2.441 -0.809) 7.783 5.779 ( -2.395 -3.948 1.823) 4.965 6.828 ( -26.709 -9.650 -4.200) 28.707 6.880 ( -3.628 1.848 0.669) 4.126 7.924 ( -12.028 -2.038 6.708) 13.922 8.077 ( -6.457 -1.390 1.246) 6.721 8.888 ( -9.916 2.694 -4.114) 11.068 9.640 ( 4.585 1.389 0.093) 4.791 9.745 ( 14.240 0.397 -2.618) 14.484 10.002 ( 7.351 9.190 10.222) 15.588 10.643 ( -0.706 5.513 -3.121) 6.374 11.104 ( -0.803 -6.658 -4.938) 8.328 11.922 ( 11.535 9.190 4.785) 15.505 12.323 ( 10.115 -3.114 -11.480) 15.614 13.178 ( 5.210 -0.987 1.436) 5.494 13.446 ( -1.607 4.657 3.860) 6.258 13.954 ( 4.405 -4.244 14.658) 15.883 15.077 ( -6.630 -4.686 1.784) 8.313 16.148 ( -4.869 -11.820 6.981) 14.566 17.601 ( 9.988 -1.457 -5.234) 11.371 18.961 ( -8.666 12.212 5.141) 15.832 20.125 ( 6.995 5.716 -5.160) 10.403 20.729 ( -7.770 -7.017 -5.028) 11.614 21.712 ( 10.241 2.844 -10.437) 14.897 ======================= Grid point 346 (187/294) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 3.752 23.752 18.808) 30.529 2.490 ( -15.304 20.071 23.120) 34.228 3.802 ( 0.918 -2.679 1.255) 3.097 3.979 ( -13.397 9.592 24.609) 29.616 4.317 ( -0.430 -0.405 -1.352) 1.475 4.867 ( -2.671 7.852 -16.821) 18.754 5.727 ( 9.925 -9.680 3.347) 14.262 6.175 ( -4.166 -4.379 2.903) 6.706 6.585 ( 0.100 7.154 -6.400) 9.599 6.823 ( 14.870 -26.340 14.183) 33.408 7.498 ( 1.016 -2.337 7.119) 7.561 7.862 ( -0.045 5.651 4.252) 7.073 9.095 ( -1.449 5.604 4.539) 7.356 9.328 ( -17.233 1.725 -9.941) 19.970 9.851 ( 2.054 -3.467 4.776) 6.249 10.139 ( 7.849 2.179 3.238) 8.766 10.882 ( 8.335 -12.170 -6.894) 16.283 11.028 ( -2.727 -4.770 -3.561) 6.547 11.742 ( 12.984 11.449 -9.563) 19.777 12.449 ( -17.430 7.367 -18.362) 26.368 13.644 ( 13.870 -1.369 4.028) 14.508 13.740 ( -0.962 -11.043 4.906) 12.122 14.288 ( -2.109 1.053 3.184) 3.962 15.518 ( -2.414 -11.412 15.596) 19.476 16.265 ( 0.136 19.669 21.443) 29.098 17.568 ( 13.155 -1.076 -14.091) 19.307 18.194 ( -14.327 0.393 -12.829) 19.235 18.794 ( -16.268 30.323 -20.691) 40.152 20.420 ( 0.473 1.743 -5.321) 5.619 22.005 ( -2.373 -4.108 1.254) 4.907 ======================= Grid point 347 (188/294) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 21.922 27.031 17.165) 38.805 2.588 ( -13.175 24.900 17.067) 32.937 3.787 ( 0.504 -4.344 1.570) 4.647 3.950 ( -0.081 -8.920 -7.769) 11.829 4.391 ( -5.546 14.373 29.582) 33.354 4.746 ( -5.834 3.519 -15.098) 16.564 5.791 ( 7.173 -8.610 -0.003) 11.207 6.003 ( -9.805 -7.040 4.619) 12.924 6.695 ( 0.869 -16.114 2.227) 16.290 6.774 ( 5.937 3.263 4.775) 8.288 7.693 ( 13.664 1.178 5.697) 14.851 7.957 ( 0.618 8.011 3.926) 8.942 8.624 ( -24.943 -6.602 1.704) 25.858 9.465 ( 5.659 3.411 -3.531) 7.492 9.905 ( 4.100 -1.443 -0.847) 4.428 10.367 ( 7.170 6.989 7.887) 12.746 10.861 ( 1.583 -9.718 -2.344) 10.121 10.934 ( 6.209 -5.104 -8.421) 11.641 11.909 ( -3.058 7.482 -17.761) 19.514 12.328 ( 8.077 12.102 -9.129) 17.176 13.553 ( -8.683 -11.434 3.831) 14.860 13.867 ( 12.441 -4.664 3.388) 13.711 14.308 ( -1.427 5.111 1.636) 5.553 15.460 ( -1.713 -14.638 16.268) 21.951 16.426 ( -16.219 17.020 23.366) 33.147 17.588 ( -1.625 -8.526 -16.213) 18.390 18.120 ( 13.888 12.524 -14.092) 23.416 18.741 ( -9.596 27.154 -17.223) 33.556 20.434 ( 1.224 3.852 -4.593) 6.118 21.930 ( -0.722 -8.129 1.637) 8.323 ======================= Grid point 348 (189/294) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -7.794 23.248 11.740) 27.185 2.957 ( 16.745 17.726 18.448) 30.577 3.759 ( -2.750 -2.688 -0.600) 3.892 3.787 ( 2.415 -7.568 -11.062) 13.619 4.487 ( -5.272 -4.813 -6.165) 9.432 4.808 ( 7.307 13.552 18.475) 24.049 5.789 ( 3.112 -9.107 -4.133) 10.474 5.811 ( -11.450 -2.835 10.098) 15.527 6.551 ( 0.204 -10.364 3.432) 10.919 6.976 ( 4.732 7.585 2.567) 9.302 7.921 ( 4.879 4.814 1.496) 7.016 8.056 ( 0.881 5.066 5.192) 7.307 8.375 ( -0.653 -1.410 5.718) 5.925 9.481 ( 0.270 -1.547 -5.288) 5.516 9.864 ( -3.667 -5.364 -5.418) 8.460 10.460 ( -9.010 5.612 3.610) 11.212 10.844 ( 5.207 -0.352 1.972) 5.579 11.016 ( 16.341 -10.898 -7.495) 21.023 11.690 ( -13.964 6.000 -15.971) 22.047 12.586 ( 12.311 2.119 -5.749) 13.751 13.341 ( -7.186 -8.700 4.488) 12.143 14.016 ( 9.027 -5.953 3.967) 11.518 14.331 ( -5.791 11.972 -2.233) 13.485 15.381 ( 0.686 -20.963 17.940) 27.600 16.415 ( -18.182 14.282 22.765) 32.447 17.316 ( -8.075 -4.994 -15.869) 18.492 18.486 ( 20.640 13.174 -17.676) 30.200 18.800 ( 0.092 22.207 -10.896) 24.736 20.472 ( 1.190 4.818 -2.877) 5.737 21.845 ( 0.752 -10.693 -0.349) 10.725 ======================= Grid point 349 (190/294) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( -1.203 19.355 6.279) 20.384 3.343 ( 0.268 7.407 20.396) 21.701 3.678 ( 2.355 1.684 -8.403) 8.888 3.788 ( 2.717 -2.033 0.750) 3.475 4.301 ( -1.897 -6.916 -10.393) 12.627 5.047 ( 1.590 -7.001 7.832) 10.625 5.595 ( -7.386 -9.985 -1.877) 12.561 5.867 ( 3.750 9.545 11.605) 15.487 6.528 ( 2.493 -5.594 -3.514) 7.061 7.109 ( 3.226 6.106 7.999) 10.567 7.982 ( 2.046 4.033 -0.289) 4.532 8.241 ( 6.727 11.977 4.691) 14.515 8.533 ( 7.689 5.804 6.745) 11.760 9.408 ( -1.095 -3.637 -7.427) 8.342 9.657 ( -8.152 -8.694 -3.104) 12.315 10.337 ( -12.268 7.186 -0.941) 14.249 10.928 ( 0.986 -1.628 3.850) 4.295 11.099 ( 9.663 -11.587 -8.145) 17.146 11.463 ( -5.095 2.580 -11.432) 12.779 12.619 ( 0.015 -8.855 -3.688) 9.592 13.212 ( -5.271 -4.127 4.773) 8.221 14.059 ( -4.486 2.099 -0.130) 4.954 14.323 ( -2.606 3.744 -1.849) 4.922 15.329 ( 5.518 -24.943 21.533) 33.411 16.414 ( -11.364 12.245 17.212) 23.986 17.085 ( -7.534 2.597 -11.589) 14.065 18.715 ( 8.061 9.550 -16.533) 20.725 19.083 ( 13.807 20.382 -7.058) 25.610 20.535 ( 1.943 5.608 -0.484) 5.955 21.743 ( 1.139 -12.260 -3.114) 12.701 ======================= Grid point 350 (191/294) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( 4.352 16.294 4.703) 17.509 3.405 ( -4.275 0.798 8.696) 9.723 3.722 ( -1.943 3.193 0.319) 3.751 3.809 ( -1.247 2.313 3.134) 4.090 4.231 ( 7.806 -5.015 -7.254) 11.777 4.871 ( -11.234 -12.022 3.138) 16.751 5.368 ( -5.940 -9.446 -4.118) 11.894 6.144 ( 8.996 5.886 5.779) 12.206 6.405 ( -3.000 -11.932 -2.379) 12.531 7.384 ( 11.993 13.699 6.999) 19.506 8.057 ( 2.607 1.826 -2.402) 3.988 8.523 ( 3.942 20.138 3.394) 20.799 8.755 ( 6.221 9.569 5.673) 12.745 9.316 ( 2.230 -5.884 -7.481) 9.775 9.452 ( -5.979 -7.775 3.156) 10.304 10.173 ( -15.669 5.996 -2.634) 16.983 10.812 ( -8.623 -7.428 1.268) 11.452 11.101 ( 9.010 -5.881 -9.156) 14.128 11.440 ( 4.059 -0.695 -5.314) 6.723 12.436 ( -4.913 -14.588 -1.906) 15.510 13.123 ( -5.223 -1.782 3.184) 6.372 13.925 ( -14.744 8.915 -4.079) 17.706 14.269 ( -0.392 -10.747 1.360) 10.840 15.323 ( 4.929 -24.278 21.790) 32.993 16.459 ( -6.587 10.758 5.453) 13.743 17.021 ( -0.993 8.615 -0.618) 8.694 18.809 ( 4.939 6.376 -9.818) 12.706 19.461 ( 12.445 20.113 -6.780) 24.605 20.644 ( 3.797 7.020 1.585) 8.137 21.611 ( 1.004 -13.584 -5.877) 14.835 ======================= Grid point 351 (192/294) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( -1.385 -5.645 5.309) 7.872 3.442 ( 1.209 15.459 1.982) 15.632 3.658 ( -5.573 0.251 3.393) 6.529 3.831 ( -3.230 3.813 1.608) 5.249 4.331 ( 9.278 -1.456 -3.029) 9.868 4.602 ( -10.153 -6.689 3.589) 12.677 5.197 ( -1.143 -7.192 -5.139) 8.913 6.111 ( -6.604 -7.766 -5.546) 11.605 6.412 ( 9.057 -5.040 3.975) 11.101 7.761 ( 12.388 12.649 4.040) 18.160 8.037 ( -4.000 -0.171 -3.657) 5.423 8.660 ( -11.251 17.223 -1.490) 20.626 9.047 ( 10.819 13.169 7.648) 18.680 9.286 ( 4.107 -5.408 -3.435) 7.610 9.421 ( 6.069 -2.065 5.968) 8.759 9.868 ( -22.530 0.924 -2.903) 22.735 10.662 ( -2.862 -3.525 0.023) 4.541 11.108 ( 9.470 -14.199 -11.215) 20.422 11.495 ( 2.876 4.842 -0.444) 5.649 12.211 ( -3.158 -13.651 -1.993) 14.152 13.054 ( -3.243 -1.377 2.924) 4.579 13.751 ( -12.392 8.692 -4.262) 15.725 14.130 ( -3.652 -14.360 5.031) 15.648 15.270 ( 2.065 -23.371 16.919) 28.926 16.437 ( -7.670 8.437 -2.486) 11.670 17.181 ( 5.492 9.356 5.081) 11.979 18.906 ( 4.280 5.950 -0.963) 7.392 19.765 ( 7.130 17.612 -6.473) 20.073 20.811 ( 4.851 9.699 2.126) 11.051 21.451 ( 1.876 -15.056 -8.498) 17.390 ======================= Grid point 352 (193/294) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( -9.580 -10.585 6.872) 15.844 3.581 ( -2.731 6.018 6.617) 9.352 3.647 ( 3.063 1.859 -3.800) 5.223 3.761 ( -11.676 4.702 1.785) 12.713 4.375 ( 2.616 -4.222 -1.392) 5.159 4.569 ( 4.536 3.502 1.203) 5.855 5.153 ( 4.813 -2.325 -3.880) 6.605 5.916 ( -5.557 -5.880 -1.311) 8.196 6.507 ( 9.197 -6.079 -2.728) 11.357 7.846 ( -12.208 -7.216 -1.908) 14.309 8.042 ( 1.421 13.598 1.687) 13.776 8.521 ( -17.926 8.678 2.246) 20.043 9.285 ( 0.706 -0.727 1.025) 1.441 9.385 ( 6.712 8.718 -1.504) 11.104 9.501 ( -11.031 -1.241 -0.874) 11.135 9.650 ( 11.385 6.075 8.126) 15.250 10.629 ( 1.349 -1.499 -1.021) 2.260 11.027 ( 6.477 -13.881 -10.105) 18.350 11.606 ( 6.140 0.644 1.807) 6.433 12.098 ( 2.475 -3.116 -4.879) 6.296 13.037 ( 0.679 -1.727 4.292) 4.676 13.643 ( -8.188 7.733 -2.598) 11.558 13.973 ( -3.656 -12.364 9.118) 15.792 15.156 ( 1.083 -23.760 11.054) 26.228 16.360 ( -8.555 7.173 -2.262) 11.391 17.363 ( 5.123 5.593 0.209) 7.588 19.055 ( 3.052 7.298 8.094) 11.318 19.951 ( 3.553 12.342 -6.998) 14.626 20.930 ( -3.048 3.624 -1.988) 5.136 21.353 ( 9.544 -7.459 -8.047) 14.542 ======================= Grid point 353 (194/294) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( -14.327 -11.737 13.476) 22.904 3.498 ( -18.441 -0.293 3.007) 18.686 3.623 ( -2.071 0.161 4.214) 4.698 3.735 ( 5.814 4.192 -6.513) 9.684 4.421 ( 7.991 -3.418 -0.472) 8.704 4.684 ( 4.486 4.434 -4.332) 7.652 5.255 ( 8.276 2.923 -0.864) 8.819 5.805 ( -3.889 -3.048 2.494) 5.534 6.603 ( 12.370 -5.268 -4.808) 14.278 7.427 ( -30.941 -3.032 -0.183) 31.089 8.076 ( -8.392 1.256 5.334) 10.022 8.350 ( -14.474 9.271 4.052) 17.659 9.098 ( -15.239 1.270 -3.869) 15.774 9.460 ( 10.091 -5.251 -2.344) 11.614 9.581 ( 7.604 1.833 -3.953) 8.764 9.995 ( 11.240 8.135 12.156) 18.447 10.651 ( 2.733 1.335 -2.816) 4.145 10.991 ( 5.280 -3.255 -4.358) 7.581 11.728 ( 12.531 -9.320 1.846) 15.725 12.169 ( 6.304 10.631 -8.537) 15.021 13.096 ( 4.261 -1.315 4.626) 6.426 13.574 ( -5.809 2.948 2.076) 6.837 13.942 ( 2.510 -3.936 12.243) 13.102 14.986 ( 0.404 -25.546 5.670) 26.171 16.267 ( -9.602 5.880 -0.054) 11.260 17.460 ( 4.578 2.469 -5.371) 7.476 19.202 ( -2.371 7.357 11.943) 14.226 20.046 ( 3.710 5.947 -10.380) 12.525 20.739 ( -8.765 -10.413 -6.789) 15.210 21.528 ( 12.348 7.903 -5.516) 15.664 ======================= Grid point 358 (195/294) ======================= q-point: ( 0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -8.146 20.016 13.397) 25.426 2.933 ( -6.846 8.199 24.328) 26.569 3.678 ( 3.221 -3.664 -4.294) 6.499 4.009 ( 2.787 -8.463 -10.775) 13.982 4.759 ( -6.811 5.445 2.872) 9.181 4.979 ( -16.621 20.887 6.144) 27.391 5.476 ( 12.583 -7.791 4.976) 15.614 6.165 ( 4.013 1.243 0.924) 4.301 6.552 ( 3.025 -11.804 11.322) 16.634 6.614 ( -4.300 -2.877 -3.179) 6.073 7.576 ( -6.099 -2.885 8.135) 10.569 7.950 ( -0.837 6.867 5.031) 8.554 9.034 ( 14.725 11.975 2.529) 19.148 9.597 ( -18.498 -3.396 -14.926) 24.011 9.828 ( -0.784 -7.783 4.307) 8.930 9.991 ( 12.029 0.101 2.676) 12.324 10.623 ( 0.221 -13.657 -8.494) 16.084 10.997 ( 1.880 -3.897 -0.676) 4.379 11.675 ( 1.408 5.871 -1.657) 6.261 12.595 ( -9.702 -1.671 -12.130) 15.622 13.392 ( 14.457 -3.525 2.886) 15.157 13.676 ( 3.922 -6.664 7.574) 10.824 14.345 ( -4.575 -2.423 0.129) 5.179 15.530 ( 1.295 -12.295 16.950) 20.980 16.513 ( 8.243 23.006 18.151) 30.442 17.303 ( 9.476 1.999 -10.147) 14.027 18.374 ( -17.539 -1.577 -13.755) 22.345 19.157 ( -12.265 22.991 -22.207) 34.237 20.411 ( -0.485 2.015 -3.073) 3.707 22.000 ( -2.322 -5.029 -1.989) 5.886 ======================= Grid point 359 (196/294) ======================= q-point: ( 0.33 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 10.203 28.381 13.078) 32.872 3.029 ( -7.646 9.559 17.540) 21.389 3.678 ( 3.819 -3.192 -4.780) 6.901 3.872 ( -2.359 -7.650 -6.005) 10.008 4.687 ( -5.278 -0.836 -5.536) 7.694 4.947 ( -12.579 12.732 12.406) 21.776 5.600 ( 7.438 -3.846 0.440) 8.386 6.138 ( -8.400 -0.577 8.133) 11.706 6.528 ( 2.013 -15.747 5.179) 16.698 6.660 ( 11.416 1.290 0.755) 11.514 7.621 ( 3.959 4.491 9.321) 11.078 8.050 ( 0.396 9.170 3.828) 9.945 9.002 ( -28.373 -6.239 -7.084) 29.902 9.376 ( 8.433 5.112 -2.697) 10.224 9.810 ( 4.306 -5.261 2.399) 7.209 10.284 ( 13.963 4.876 8.820) 17.221 10.547 ( 8.979 -11.908 -9.335) 17.595 10.952 ( -3.716 -1.962 -1.023) 4.325 11.785 ( 8.140 4.822 -10.066) 13.814 12.384 ( -7.262 2.146 -6.402) 9.916 13.558 ( 4.035 -10.455 2.598) 11.503 13.650 ( 3.546 -5.177 3.758) 7.314 14.327 ( 3.285 1.156 1.576) 3.822 15.499 ( -4.395 -10.454 16.211) 19.784 16.912 ( 0.821 18.593 19.319) 26.826 17.411 ( 3.538 2.876 -10.345) 11.305 18.033 ( -6.262 0.617 -15.291) 16.535 19.053 ( -11.392 24.112 -21.897) 34.505 20.431 ( 0.951 4.620 -2.795) 5.483 21.882 ( -2.614 -9.593 0.361) 9.949 ======================= Grid point 360 (197/294) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 16.125 23.128 10.670) 30.146 3.069 ( -5.939 8.574 7.998) 13.143 3.665 ( 0.795 -1.866 -4.982) 5.379 3.771 ( -1.514 -2.565 1.840) 3.501 4.499 ( -6.980 -4.678 -11.255) 14.046 4.968 ( -3.100 1.286 13.612) 14.019 5.637 ( 2.948 -6.704 -3.243) 8.010 6.080 ( -10.490 9.023 14.951) 20.372 6.433 ( 1.724 -11.669 0.418) 11.803 6.895 ( 12.382 0.780 3.261) 12.828 7.854 ( 9.263 7.826 7.457) 14.236 8.164 ( -1.532 8.180 2.412) 8.664 8.520 ( -16.223 -2.893 -0.667) 16.493 9.443 ( 0.583 0.258 -4.659) 4.702 9.829 ( 0.218 -4.479 -1.886) 4.865 10.547 ( 11.824 -13.643 -7.730) 19.639 10.599 ( 9.449 4.441 10.824) 15.039 10.850 ( -4.067 0.509 -2.890) 5.015 11.772 ( -4.314 1.855 -19.066) 19.636 12.400 ( 7.784 -0.698 2.785) 8.297 13.395 ( -6.736 -8.839 3.147) 11.551 13.781 ( 11.777 -7.925 2.927) 14.494 14.447 ( 3.729 8.254 -0.600) 9.077 15.374 ( -7.840 -13.353 13.532) 20.564 17.081 ( -21.347 20.108 25.350) 38.764 17.257 ( -3.251 -6.204 -13.378) 15.100 18.144 ( 20.261 8.965 -16.957) 27.900 18.996 ( -6.738 22.403 -17.966) 29.497 20.485 ( 1.214 5.591 -2.002) 6.061 21.748 ( -1.580 -12.084 1.270) 12.253 ======================= Grid point 361 (198/294) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( -1.147 5.096 -0.032) 5.224 3.467 ( 14.128 14.954 7.518) 21.903 3.627 ( -4.544 2.876 1.343) 5.543 3.772 ( 0.557 0.194 3.358) 3.410 4.270 ( -6.916 -4.895 -9.411) 12.663 5.003 ( 1.529 -7.542 8.388) 11.383 5.519 ( -2.111 -13.059 -4.339) 13.922 6.122 ( -9.272 11.749 15.813) 21.773 6.393 ( 3.594 -4.615 -5.982) 8.367 7.099 ( 8.894 1.311 6.594) 11.149 8.013 ( -3.532 3.923 -3.325) 6.239 8.229 ( 8.692 8.965 6.553) 14.103 8.538 ( 5.751 8.555 6.908) 12.409 9.382 ( -3.093 -0.959 -6.826) 7.555 9.695 ( -6.846 -6.618 -2.191) 9.770 10.532 ( 0.157 -4.709 -3.469) 5.851 10.711 ( 6.039 -5.027 -6.662) 10.302 10.906 ( 4.931 -2.019 9.180) 10.614 11.543 ( -8.914 1.873 -16.961) 19.252 12.484 ( 3.922 -9.928 1.564) 10.788 13.269 ( -3.638 -4.541 3.655) 6.871 13.898 ( 10.463 -10.096 3.214) 14.891 14.538 ( -5.398 14.363 -7.921) 17.268 15.186 ( -3.414 -19.758 13.679) 24.272 16.940 ( -20.412 7.544 20.786) 30.094 17.176 ( -7.184 9.554 -4.975) 12.948 18.465 ( 19.294 7.349 -19.176) 28.177 19.089 ( 4.331 21.494 -10.033) 24.113 20.554 ( 1.721 5.818 -0.649) 6.102 21.615 ( -1.109 -12.909 1.005) 12.995 ======================= Grid point 362 (199/294) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( 6.254 4.188 -0.512) 7.544 3.562 ( -5.834 2.872 -1.774) 6.740 3.789 ( 3.006 7.614 7.234) 10.924 3.842 ( 4.665 3.960 4.630) 7.673 4.091 ( -3.475 -2.622 -6.387) 7.729 4.933 ( -5.700 -8.906 4.891) 11.650 5.308 ( -3.471 -14.440 -4.211) 15.437 6.187 ( -1.419 4.583 10.398) 11.451 6.307 ( -2.152 -8.825 -7.102) 11.530 7.363 ( 10.927 11.965 6.691) 17.531 7.996 ( 2.621 0.853 -5.414) 6.075 8.572 ( 12.088 15.018 6.159) 20.239 8.795 ( 7.960 10.327 7.141) 14.866 9.253 ( -5.053 -1.532 -6.822) 8.627 9.506 ( -7.278 -6.282 0.565) 9.630 10.432 ( -8.597 2.960 -3.741) 9.831 10.720 ( 10.884 -12.992 -9.855) 19.605 10.872 ( -7.119 -9.660 3.226) 12.425 11.431 ( 0.016 6.255 -6.313) 8.887 12.364 ( -3.646 -14.562 1.090) 15.051 13.197 ( -3.917 -2.758 2.425) 5.370 13.958 ( 6.747 -10.735 1.185) 12.734 14.387 ( -17.249 8.888 -11.465) 22.538 15.110 ( 5.829 -20.973 14.296) 26.043 16.858 ( -17.028 9.762 20.822) 28.615 17.135 ( -4.170 12.572 -5.373) 14.294 18.666 ( 11.960 4.006 -13.073) 18.165 19.403 ( 12.955 21.308 -7.172) 25.948 20.651 ( 3.481 6.224 0.654) 7.161 21.472 ( -2.018 -13.068 0.218) 13.225 ======================= Grid point 363 (200/294) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( 3.486 -2.270 3.339) 5.334 3.496 ( 0.040 2.354 -5.493) 5.976 3.880 ( -9.027 7.501 9.096) 14.849 3.896 ( 0.665 4.495 -0.889) 4.630 4.128 ( 10.459 -0.024 -3.030) 10.889 4.735 ( -11.442 -5.975 3.674) 13.420 5.112 ( -1.501 -11.304 -3.469) 11.919 6.105 ( -5.764 -7.766 -5.107) 10.936 6.283 ( 4.613 -2.815 4.774) 7.211 7.691 ( 9.366 8.960 3.517) 13.430 8.040 ( 4.905 4.779 -5.157) 8.573 8.929 ( 5.116 17.557 1.559) 18.354 9.049 ( 6.736 8.517 6.420) 12.615 9.149 ( -0.913 -1.837 -3.289) 3.877 9.378 ( -0.704 -4.389 4.075) 6.030 10.226 ( -18.402 3.840 -4.253) 19.273 10.644 ( -1.783 -11.804 -2.147) 12.129 10.718 ( 8.079 -13.526 -8.894) 18.092 11.494 ( 2.182 3.166 -1.095) 3.997 12.164 ( -5.167 -10.842 2.581) 12.285 13.118 ( -4.090 -1.690 1.456) 4.659 13.919 ( -0.907 -7.022 -2.212) 7.418 14.115 ( -11.926 -0.122 -5.956) 13.331 15.071 ( 3.832 -22.371 11.414) 25.405 16.764 ( -17.164 12.650 7.489) 22.599 17.237 ( 2.419 10.503 1.945) 10.952 18.829 ( 10.261 3.052 -1.794) 10.854 19.752 ( 10.477 18.320 -8.409) 22.718 20.808 ( 6.910 8.492 0.870) 10.983 21.296 ( -3.968 -13.603 -0.586) 14.182 ======================= Grid point 364 (201/294) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( -5.507 -6.651 2.743) 9.061 3.548 ( 6.182 -2.334 -3.013) 7.262 3.791 ( -8.659 1.867 5.716) 10.542 4.000 ( -4.941 13.863 2.193) 14.879 4.230 ( 5.336 -5.183 -5.107) 9.023 4.558 ( -3.237 -3.918 2.524) 5.674 5.047 ( 3.862 -1.766 -2.025) 4.705 5.944 ( -4.152 -3.783 -1.008) 5.706 6.327 ( 4.102 -4.933 -1.067) 6.504 7.795 ( 2.696 -7.201 0.290) 7.695 8.227 ( 2.872 19.270 -0.756) 19.498 8.899 ( -16.620 6.460 0.816) 17.850 9.147 ( 5.253 -5.738 -0.944) 7.836 9.295 ( 10.094 1.997 0.173) 10.291 9.538 ( 10.035 6.261 5.616) 13.093 9.894 ( -22.332 7.462 0.092) 23.546 10.537 ( 2.524 -8.589 -3.163) 9.495 10.698 ( 10.757 -11.417 -7.545) 17.407 11.501 ( 1.838 -7.274 -0.588) 7.526 12.083 ( -1.099 3.279 0.967) 3.591 13.063 ( -2.150 -1.104 3.018) 3.866 13.795 ( -5.415 -2.185 -3.705) 6.916 13.952 ( -3.462 -4.749 1.088) 5.976 14.946 ( 1.184 -24.399 8.134) 25.746 16.647 ( -14.651 12.486 1.496) 19.308 17.367 ( 2.038 5.920 -0.197) 6.264 19.052 ( 10.094 3.591 8.688) 13.793 19.957 ( 4.105 11.354 -10.930) 16.286 21.012 ( -3.060 5.982 -1.312) 6.846 21.116 ( 6.815 -7.113 -0.350) 9.857 ======================= Grid point 365 (202/294) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( -7.913 -7.090 6.570) 12.492 3.589 ( 4.807 -4.281 -1.662) 6.648 3.727 ( -5.693 2.768 4.357) 7.685 3.874 ( -18.822 0.753 1.928) 18.936 4.245 ( 6.870 -1.213 -5.233) 8.721 4.589 ( 6.513 -2.756 -0.788) 7.115 5.158 ( 7.358 5.555 -1.713) 9.378 5.887 ( -3.738 2.041 4.183) 5.969 6.349 ( 7.828 -4.809 -4.220) 10.111 7.698 ( -7.725 -5.975 1.210) 9.841 8.351 ( -10.994 14.934 -0.076) 18.544 8.691 ( -13.646 3.918 6.370) 15.561 9.156 ( 3.234 -8.942 -1.307) 9.599 9.390 ( 4.594 -8.005 -3.713) 9.948 9.466 ( -10.465 3.861 -7.375) 13.372 9.979 ( 6.735 8.940 13.067) 17.205 10.534 ( 7.139 -3.997 -3.168) 8.774 10.806 ( 13.437 1.479 -4.496) 14.247 11.465 ( 6.074 -11.486 1.211) 13.049 12.163 ( 2.626 11.585 -5.754) 13.199 13.076 ( 1.373 -0.550 5.673) 5.863 13.669 ( -4.095 -4.795 0.091) 6.307 13.942 ( 2.078 1.699 5.573) 6.186 14.753 ( -0.297 -25.775 4.683) 26.199 16.536 ( -13.059 10.659 0.348) 16.861 17.407 ( 1.010 0.983 -4.583) 4.795 19.298 ( 6.456 2.645 13.772) 15.438 19.980 ( 0.380 3.368 -16.004) 16.359 20.785 ( -11.199 -8.649 0.876) 14.177 21.388 ( 13.154 12.328 -3.563) 18.376 ======================= Grid point 370 (203/294) ======================= q-point: ( 0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -11.229 15.997 8.593) 21.350 3.218 ( -5.265 4.350 19.718) 20.867 3.616 ( -0.866 0.023 -2.766) 2.899 3.812 ( 5.774 -7.022 -5.636) 10.696 4.693 ( 4.970 -2.389 -8.959) 10.520 5.144 ( 12.740 -11.384 7.092) 18.499 5.455 ( -2.165 5.837 -2.045) 6.553 6.217 ( -1.677 11.836 2.843) 12.288 6.533 ( -2.051 -8.587 0.863) 8.871 6.765 ( -18.424 3.804 9.773) 21.200 7.676 ( -4.726 -5.007 4.154) 8.041 8.130 ( -6.280 12.235 8.018) 15.919 8.929 ( 10.864 9.626 0.863) 14.541 9.673 ( -3.320 -2.689 -12.961) 13.647 9.721 ( 3.147 -11.116 0.448) 11.562 9.834 ( 12.714 6.533 5.982) 15.495 10.556 ( -13.377 -13.565 -8.674) 20.933 10.867 ( 7.056 -5.822 -0.005) 9.148 11.736 ( -4.276 -0.679 -0.195) 4.334 12.622 ( -3.441 -3.320 -6.807) 8.319 13.178 ( 9.370 -2.081 3.247) 10.133 13.575 ( 8.167 -3.702 8.727) 12.513 14.395 ( -7.056 -6.402 -1.711) 9.680 15.380 ( 14.288 -13.810 14.394) 24.537 16.697 ( -0.768 15.395 6.485) 16.723 17.197 ( 10.566 12.133 7.067) 17.572 18.550 ( -15.880 -1.847 -15.939) 22.575 19.382 ( -8.234 16.330 -18.109) 25.737 20.441 ( -1.993 2.227 -0.217) 2.997 21.961 ( -1.408 -5.055 -5.137) 7.344 ======================= Grid point 371 (204/294) ======================= q-point: ( 0.33 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 1.750 24.774 9.304) 26.521 3.258 ( -4.759 -0.523 12.867) 13.729 3.614 ( 0.442 3.072 -1.056) 3.279 3.790 ( 1.823 -5.240 -1.457) 5.736 4.638 ( 0.131 -5.316 -11.405) 12.584 5.150 ( -2.301 -9.262 4.584) 10.588 5.509 ( 4.263 -0.204 -1.392) 4.489 6.353 ( 0.536 7.463 -5.171) 9.095 6.411 ( 3.744 -9.876 8.663) 13.660 6.626 ( -13.762 7.292 14.183) 21.065 7.682 ( 1.950 3.559 6.870) 7.979 8.205 ( -4.396 12.578 6.641) 14.888 9.224 ( 12.023 8.012 -2.175) 14.611 9.327 ( -21.356 -5.601 -13.533) 25.896 9.694 ( 3.633 -8.662 2.924) 9.837 10.166 ( 13.572 6.240 10.434) 18.221 10.291 ( 1.345 -11.413 -7.043) 13.478 10.915 ( 4.156 -4.767 -0.048) 6.324 11.686 ( 1.378 -0.853 -4.613) 4.889 12.475 ( -6.584 -1.604 -3.777) 7.758 13.333 ( 10.741 -4.207 1.618) 11.648 13.648 ( -1.675 -6.728 6.462) 9.478 14.263 ( 2.556 -3.886 -0.583) 4.688 15.535 ( 3.964 -9.153 17.285) 19.957 16.863 ( 11.058 4.771 -7.790) 14.343 17.542 ( 3.752 18.040 15.339) 23.975 18.151 ( -18.505 -0.449 -14.804) 23.702 19.291 ( -8.967 18.635 -21.095) 29.541 20.462 ( -0.077 5.241 -0.213) 5.246 21.827 ( -2.705 -9.991 -2.518) 10.653 ======================= Grid point 372 (205/294) ======================= q-point: ( 0.42 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( 9.870 23.258 6.995) 26.216 3.199 ( -4.867 -3.224 2.464) 6.337 3.670 ( 0.173 4.597 4.080) 6.149 3.779 ( 0.492 -0.722 2.666) 2.806 4.472 ( -4.137 -5.481 -13.038) 14.736 5.026 ( -3.172 -10.583 5.067) 12.155 5.515 ( 2.409 -8.420 -2.497) 9.107 6.287 ( 1.658 -6.647 -3.046) 7.497 6.552 ( -11.349 16.242 15.044) 24.878 6.670 ( 10.356 -0.713 7.635) 12.886 7.866 ( 6.864 9.470 7.426) 13.854 8.298 ( -2.994 11.106 4.098) 12.210 8.804 ( -23.875 -4.644 -6.702) 25.229 9.386 ( 4.179 1.199 -4.949) 6.587 9.734 ( 5.554 -4.728 1.670) 7.483 10.196 ( 6.267 -12.106 -8.128) 15.871 10.528 ( 13.659 4.844 12.783) 19.325 10.894 ( -1.517 -3.352 -1.252) 3.887 11.683 ( 2.523 0.261 -13.082) 13.325 12.369 ( -2.351 -3.021 3.364) 5.096 13.407 ( -0.032 -7.607 1.163) 7.695 13.571 ( 3.986 -6.145 2.473) 7.731 14.384 ( 9.493 2.037 2.207) 9.957 15.508 ( -8.882 -8.381 14.168) 18.704 17.032 ( 12.910 -1.816 -12.144) 17.817 17.820 ( -19.396 22.510 23.989) 38.189 17.837 ( 6.719 0.010 -18.287) 19.483 19.195 ( -7.824 18.640 -21.353) 29.404 20.521 ( 0.371 6.403 -0.196) 6.417 21.672 ( -2.144 -12.331 0.457) 12.524 ======================= Grid point 373 (206/294) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( -2.484 -2.944 -2.112) 4.393 3.416 ( 10.182 16.124 0.390) 19.074 3.731 ( 0.029 1.529 5.406) 5.618 3.818 ( -1.068 2.888 4.869) 5.761 4.285 ( -4.917 -1.740 -9.035) 10.433 4.943 ( 1.243 -9.665 6.106) 11.499 5.397 ( -1.431 -13.900 -3.626) 14.437 6.237 ( 1.990 -7.740 -2.605) 8.406 6.567 ( -14.225 13.737 10.249) 22.273 6.938 ( 14.505 2.977 8.199) 16.926 8.127 ( 0.892 10.524 1.894) 10.730 8.242 ( -4.172 2.350 -2.201) 5.271 8.602 ( -0.526 6.976 7.190) 10.032 9.379 ( -0.729 -0.251 -5.048) 5.107 9.716 ( -3.113 -5.006 -0.861) 5.958 10.172 ( 11.869 -13.748 -8.795) 20.180 10.790 ( -3.745 2.113 0.602) 4.342 10.848 ( 7.534 -1.590 11.005) 13.431 11.567 ( -5.053 1.775 -18.034) 18.813 12.362 ( 2.221 -8.696 6.309) 10.971 13.298 ( -3.544 -4.743 1.598) 6.133 13.656 ( 9.681 -7.615 1.327) 12.388 14.576 ( 7.766 5.579 -0.901) 9.604 15.268 ( -15.664 -11.323 7.068) 20.580 17.082 ( 2.544 -0.134 -4.257) 4.961 17.724 ( -18.997 14.236 17.709) 29.617 18.056 ( 15.531 6.703 -15.835) 23.171 19.182 ( -0.409 18.866 -14.989) 24.099 20.589 ( 0.625 6.309 -0.024) 6.340 21.536 ( -1.568 -12.048 3.206) 12.566 ======================= Grid point 374 (207/294) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 3.932 0.118 -2.247) 4.530 3.603 ( 0.216 3.774 -5.779) 6.905 3.805 ( 5.671 3.655 2.805) 7.306 3.832 ( -0.253 0.057 1.674) 1.694 4.190 ( -5.875 3.936 1.121) 7.160 4.943 ( 1.230 -5.589 6.883) 8.951 5.182 ( -3.267 -15.502 -5.273) 16.697 6.172 ( 0.619 -7.728 -1.294) 7.860 6.444 ( -13.803 1.995 4.502) 14.655 7.308 ( 15.008 12.888 7.347) 21.103 7.977 ( -6.300 -0.247 -7.674) 9.931 8.519 ( 13.470 10.629 4.503) 17.740 8.781 ( 6.292 6.137 7.600) 11.620 9.323 ( -3.720 3.079 -2.526) 5.450 9.570 ( -6.853 -5.022 -1.238) 8.585 10.188 ( 12.217 -14.765 -8.911) 21.135 10.694 ( -5.538 1.288 -4.151) 7.039 10.936 ( -5.527 -5.802 9.332) 12.300 11.440 ( -0.812 6.020 -11.763) 13.239 12.303 ( -1.779 -11.261 5.081) 12.481 13.226 ( -2.297 -3.423 0.990) 4.239 13.729 ( 8.241 -9.669 0.343) 12.709 14.654 ( -8.415 10.040 -11.207) 17.240 14.953 ( -4.732 -18.347 7.582) 20.408 17.137 ( 0.777 4.853 7.637) 9.082 17.584 ( -27.040 16.342 13.204) 34.243 18.291 ( 22.781 -1.211 -19.131) 29.773 19.374 ( 8.716 19.480 -7.439) 22.600 20.665 ( 1.856 5.946 0.097) 6.230 21.424 ( -2.736 -10.261 5.430) 11.927 ======================= Grid point 375 (208/294) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( 8.755 0.391 0.987) 8.819 3.493 ( -5.454 -4.104 -6.745) 9.596 3.853 ( 3.803 -0.495 -5.108) 6.387 3.987 ( 7.528 4.078 2.270) 8.857 4.142 ( -7.295 6.277 3.865) 10.371 4.899 ( -7.224 -4.330 6.296) 10.516 4.987 ( -0.737 -9.768 -3.470) 10.392 6.081 ( -2.564 -6.973 -2.250) 7.763 6.294 ( -5.492 -1.305 3.528) 6.657 7.691 ( 5.749 12.196 3.210) 13.860 7.901 ( 8.702 -0.365 -6.545) 10.895 8.842 ( 13.423 3.525 -0.083) 13.879 8.975 ( 7.806 1.901 7.314) 10.864 9.331 ( -5.188 12.747 1.259) 13.820 9.400 ( -5.373 -4.354 -0.497) 6.934 10.178 ( 9.965 -14.541 -8.404) 19.529 10.590 ( -4.248 -0.835 -4.330) 6.123 10.717 ( -15.747 -4.323 1.843) 16.433 11.466 ( 1.739 1.494 -4.051) 4.655 12.195 ( -4.086 -5.447 6.538) 9.439 13.158 ( -2.629 -2.681 0.011) 3.755 13.742 ( 5.649 -11.139 -1.254) 12.552 14.362 ( -18.970 2.728 -10.348) 21.781 14.877 ( 4.084 -14.416 2.958) 15.273 17.251 ( -6.648 3.800 19.670) 21.108 17.359 ( -17.531 16.398 -5.634) 24.657 18.558 ( 21.393 -2.016 -6.721) 22.514 19.681 ( 11.093 16.401 -7.381) 21.131 20.776 ( 5.094 6.279 -0.116) 8.087 21.307 ( -5.937 -7.638 7.067) 11.980 ======================= Grid point 376 (209/294) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( -4.913 -2.518 1.648) 5.762 3.368 ( 7.580 -6.172 -3.303) 10.318 3.837 ( 1.241 -4.610 -8.394) 9.656 4.080 ( 2.616 -0.727 3.009) 4.053 4.208 ( 1.369 10.149 1.479) 10.347 4.698 ( -15.105 -3.505 3.729) 15.949 4.963 ( 4.039 0.878 -0.217) 4.139 5.965 ( -2.850 -2.770 -0.819) 4.058 6.266 ( 0.095 -1.578 1.240) 2.010 7.694 ( 0.647 -4.644 -3.759) 6.010 8.229 ( 15.866 12.035 1.832) 19.998 8.967 ( 5.348 -7.696 0.309) 9.377 9.101 ( -0.074 -7.846 -2.270) 8.168 9.266 ( -3.404 11.116 2.169) 11.826 9.504 ( 4.296 8.871 2.915) 10.279 10.161 ( 6.318 -6.099 -4.603) 9.915 10.420 ( -12.022 -9.150 0.662) 15.123 10.511 ( -2.631 2.492 -2.952) 4.674 11.427 ( -1.225 -5.362 -2.299) 5.961 12.179 ( -2.582 5.207 5.489) 7.994 13.100 ( -1.935 -1.376 0.726) 2.483 13.689 ( 2.768 -11.819 -2.493) 12.393 14.077 ( -11.262 2.435 -5.628) 12.824 14.777 ( -0.148 -15.338 -0.022) 15.339 17.087 ( -21.698 11.242 6.582) 25.309 17.379 ( 1.405 2.748 -1.442) 3.406 18.877 ( 18.835 -0.130 4.806) 19.438 19.896 ( 5.872 8.728 -10.446) 14.825 20.960 ( 9.593 4.628 0.231) 10.653 21.172 ( -9.381 -0.540 6.644) 11.508 ======================= Grid point 377 (210/294) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -4.481 -3.931 -1.106) 6.063 3.436 ( 5.544 -7.681 1.788) 9.640 3.763 ( 1.887 -5.293 -3.570) 6.657 4.088 ( -5.139 -3.225 0.271) 6.073 4.297 ( -3.212 8.260 3.162) 9.410 4.464 ( -5.982 -3.698 -0.130) 7.035 5.097 ( 6.428 7.621 -1.974) 10.164 5.963 ( 1.943 3.837 1.700) 4.625 6.248 ( -1.099 -0.869 -0.118) 1.406 7.669 ( 3.177 -4.746 -0.430) 5.727 8.572 ( 8.069 13.438 0.960) 15.704 8.804 ( -5.670 -16.150 -1.260) 17.162 9.057 ( 2.113 -5.475 2.540) 6.395 9.286 ( -5.921 3.438 -0.872) 6.902 9.561 ( -2.967 -2.875 -3.990) 5.744 10.154 ( -10.356 -6.383 3.908) 12.778 10.336 ( 12.919 8.737 0.831) 15.618 10.576 ( 10.428 3.046 -1.700) 10.996 11.350 ( -0.096 -4.813 0.395) 4.830 12.234 ( -1.813 9.779 -1.807) 10.109 13.088 ( 0.230 -0.645 3.182) 3.255 13.594 ( 1.453 -11.643 -1.502) 11.829 13.995 ( -1.553 6.337 -0.562) 6.548 14.594 ( -2.896 -16.667 -0.420) 16.922 16.895 ( -17.213 9.937 2.229) 20.000 17.369 ( -0.429 -3.707 -3.081) 4.839 19.199 ( 14.591 -0.600 8.305) 16.800 19.915 ( -0.466 1.921 -11.847) 12.011 20.939 ( -10.340 -7.198 9.617) 15.850 21.295 ( 10.101 16.261 -4.799) 19.735 ======================= Grid point 383 (211/294) ======================= q-point: ( 0.25 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( -11.453 12.442 5.584) 17.809 3.408 ( -3.717 -2.779 7.324) 8.671 3.637 ( 6.242 -3.165 2.496) 7.431 3.677 ( -3.271 6.835 0.558) 7.598 4.505 ( 5.853 -7.821 -4.736) 10.856 4.826 ( 18.195 -6.698 6.022) 20.303 5.421 ( 1.205 -0.054 -7.585) 7.680 6.271 ( 2.119 -2.825 -5.891) 6.869 6.479 ( -2.856 -9.559 5.370) 11.330 7.313 ( -20.177 19.619 5.541) 28.683 7.703 ( -5.969 -7.424 0.890) 9.568 8.446 ( -6.861 16.532 7.286) 19.325 8.902 ( 2.739 8.301 2.144) 9.000 9.503 ( 9.278 -5.555 -1.084) 10.868 9.565 ( 4.816 -9.340 -0.263) 10.511 9.779 ( 7.049 7.124 0.748) 10.050 10.595 ( -2.265 -7.482 -3.950) 8.759 10.774 ( -10.585 -7.071 -1.106) 12.777 11.747 ( -2.228 -6.282 -5.152) 8.425 12.567 ( 1.203 -2.333 -5.716) 6.290 13.098 ( 3.311 0.868 4.458) 5.621 13.453 ( 9.053 -2.120 8.082) 12.319 14.433 ( -6.911 -8.340 -0.830) 10.863 15.006 ( 19.937 -15.488 7.297) 26.279 16.884 ( -6.025 2.288 2.089) 6.775 17.273 ( 10.416 23.476 21.686) 33.614 18.645 ( -9.973 -1.572 -18.898) 21.426 19.555 ( -8.029 12.243 -12.018) 18.942 20.513 ( -3.332 1.586 3.033) 4.776 21.897 ( -1.265 -4.166 -8.045) 9.148 ======================= Grid point 384 (212/294) ======================= q-point: ( 0.33 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( -2.166 19.525 6.553) 20.709 3.347 ( -3.225 -5.316 4.606) 7.738 3.699 ( 2.251 0.093 4.144) 4.716 3.728 ( -2.101 7.376 3.390) 8.385 4.468 ( 3.959 -9.026 -8.108) 12.762 5.036 ( 9.046 -6.923 3.776) 12.001 5.367 ( 2.649 -7.458 -7.290) 10.760 6.253 ( 3.727 -3.938 -5.900) 8.013 6.342 ( -1.879 -11.063 4.834) 12.218 7.233 ( -21.875 24.797 11.178) 34.905 7.674 ( 4.455 0.098 3.742) 5.819 8.514 ( -9.340 16.432 7.964) 20.510 9.089 ( 8.705 6.986 -1.391) 11.248 9.467 ( -6.599 -2.992 -10.309) 12.601 9.553 ( 5.450 -6.753 -0.083) 8.678 10.048 ( 12.732 5.711 6.471) 15.381 10.270 ( -13.069 -10.407 0.626) 16.718 10.758 ( 7.172 -6.204 0.698) 9.509 11.628 ( -0.635 -6.364 -3.737) 7.407 12.495 ( -1.986 -4.386 -4.271) 6.436 13.197 ( 5.186 0.011 2.734) 5.862 13.622 ( 4.758 -3.410 8.946) 10.691 14.189 ( -3.266 -9.436 -3.145) 10.469 15.322 ( 21.315 -9.291 10.636) 25.569 16.803 ( -5.248 1.820 -3.337) 6.480 17.680 ( 4.237 9.128 11.318) 15.144 18.390 ( -11.319 9.804 -8.922) 17.431 19.471 ( -8.102 14.708 -16.184) 23.321 20.530 ( -1.120 5.300 2.970) 6.178 21.751 ( -2.646 -9.756 -6.051) 11.782 ======================= Grid point 385 (213/294) ======================= q-point: ( 0.42 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( 3.510 14.456 5.114) 15.730 3.271 ( -3.979 1.495 3.340) 5.406 3.757 ( 0.322 -0.177 3.303) 3.323 3.790 ( -0.502 7.452 5.595) 9.332 4.371 ( 0.561 -6.538 -10.431) 12.323 4.990 ( -3.645 -9.222 -0.914) 9.958 5.324 ( 6.921 -13.526 -2.708) 15.433 6.178 ( 0.890 -8.228 -3.055) 8.823 6.402 ( 10.811 -4.019 4.762) 12.478 7.204 ( -19.573 25.129 12.771) 34.317 7.845 ( 8.835 5.508 4.494) 11.340 8.552 ( -9.147 13.832 6.223) 17.713 9.069 ( -16.043 -6.280 -7.665) 18.857 9.311 ( 1.100 6.878 -7.436) 10.188 9.602 ( 6.585 -4.129 2.622) 8.203 10.016 ( -1.720 -11.435 -2.861) 11.912 10.420 ( 14.247 4.926 12.918) 19.853 10.805 ( 5.081 -6.280 -0.780) 8.116 11.577 ( 2.251 -1.918 -5.909) 6.608 12.385 ( -2.453 -6.772 -0.445) 7.216 13.285 ( 5.345 -2.666 0.029) 5.974 13.582 ( -6.016 -5.692 4.790) 9.568 14.222 ( 11.284 -1.383 1.379) 11.452 15.569 ( 7.073 -8.216 14.038) 17.737 16.739 ( 5.356 -1.564 -12.803) 13.966 17.678 ( -1.227 -3.494 -14.274) 14.747 18.437 ( -10.614 23.301 20.483) 32.790 19.359 ( -8.976 14.683 -20.064) 26.433 20.594 ( -0.748 6.990 2.407) 7.430 21.579 ( -1.480 -12.442 -2.419) 12.761 ======================= Grid point 386 (214/294) ======================= q-point: ( 0.50 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( -5.091 -2.948 2.415) 6.360 3.449 ( 4.588 16.223 -0.218) 16.860 3.761 ( -1.131 -1.173 3.002) 3.416 3.868 ( -0.026 1.313 1.443) 1.951 4.284 ( -0.423 1.542 -5.720) 5.939 4.857 ( 0.535 -9.650 1.171) 9.736 5.251 ( 1.250 -13.692 -2.242) 13.930 6.123 ( 2.139 -6.190 -1.775) 6.785 6.591 ( 12.179 -5.825 4.728) 14.304 7.204 ( -16.155 22.030 11.258) 29.547 8.099 ( 11.772 6.563 3.067) 13.823 8.440 ( -17.439 2.028 -6.503) 18.723 8.792 ( -9.069 5.613 7.824) 13.228 9.339 ( 1.632 1.806 -5.418) 5.940 9.683 ( 2.983 -2.907 1.805) 4.540 9.884 ( 2.919 -10.549 -7.345) 13.181 10.758 ( 10.134 -1.167 11.306) 15.228 10.801 ( 3.250 -1.267 1.168) 3.678 11.546 ( -1.399 2.470 -11.479) 11.824 12.303 ( 0.357 -9.218 4.596) 10.306 13.296 ( 0.360 -4.212 -1.278) 4.416 13.505 ( 0.751 -3.433 1.877) 3.984 14.432 ( 12.242 0.145 1.075) 12.289 15.495 ( -14.562 -8.147 8.690) 18.814 16.864 ( 19.147 -1.283 -8.472) 20.977 17.568 ( 6.187 -3.056 -19.353) 20.546 18.550 ( -21.592 20.591 24.153) 38.388 19.264 ( -2.461 15.103 -18.884) 24.306 20.656 ( -0.974 6.573 1.628) 6.841 21.456 ( 0.438 -11.399 2.508) 11.679 ======================= Grid point 387 (215/294) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( -2.486 1.031 2.133) 3.434 3.595 ( 0.477 4.694 -6.980) 8.425 3.765 ( 3.328 1.186 0.948) 3.658 3.825 ( -1.376 -3.374 -2.382) 4.353 4.306 ( -1.461 4.516 2.549) 5.387 4.843 ( 4.910 -8.258 0.326) 9.613 5.103 ( -2.973 -8.465 -0.349) 8.979 6.094 ( 1.160 -5.064 -0.453) 5.215 6.640 ( -4.677 -5.741 3.620) 8.242 7.305 ( 2.507 15.143 7.588) 17.122 8.110 ( -14.990 -0.501 -7.542) 16.788 8.375 ( 13.795 3.639 1.143) 14.312 8.844 ( -1.145 5.422 9.392) 10.905 9.366 ( 1.469 4.529 -1.146) 4.897 9.609 ( -4.896 -5.751 -1.566) 7.714 9.864 ( 7.935 -6.600 -7.150) 12.555 10.715 ( -2.456 -3.918 -3.497) 5.798 11.010 ( 3.157 -1.507 14.848) 15.254 11.454 ( -3.690 6.825 -13.706) 15.750 12.263 ( 0.465 -8.280 6.435) 10.497 13.236 ( -2.327 -2.676 -0.699) 3.614 13.528 ( 5.890 -5.716 -1.406) 8.327 14.608 ( 9.546 -0.984 -2.354) 9.881 15.116 ( -22.666 -8.117 -0.418) 24.079 17.154 ( 10.426 5.502 6.514) 13.469 17.638 ( 24.664 -6.798 -21.638) 33.507 18.362 ( -31.439 13.318 11.305) 35.966 19.386 ( 6.170 17.426 -6.889) 19.728 20.709 ( -0.304 5.574 0.607) 5.615 21.402 ( 0.266 -8.109 7.446) 11.013 ======================= Grid point 388 (216/294) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( 3.045 2.266 3.233) 4.985 3.495 ( -4.296 -3.196 -8.981) 10.456 3.755 ( 0.598 -5.095 -4.000) 6.505 3.905 ( 7.570 2.335 -0.761) 7.959 4.310 ( -5.108 3.948 2.796) 7.035 4.780 ( 3.331 -10.492 -5.011) 12.095 5.073 ( -2.356 2.975 6.758) 7.751 6.048 ( -1.055 -4.674 -0.437) 4.812 6.451 ( -12.106 -2.509 3.082) 12.742 7.620 ( 16.698 5.334 3.490) 17.873 7.857 ( -10.363 0.378 -6.419) 12.196 8.618 ( 14.087 -1.688 -0.596) 14.200 8.932 ( 3.255 -1.582 8.110) 8.881 9.442 ( -3.243 -0.349 -1.156) 3.460 9.496 ( -0.467 9.757 -0.563) 9.785 9.875 ( 5.964 -7.626 -6.190) 11.491 10.591 ( -4.593 -5.899 -2.768) 7.973 10.990 ( -11.500 1.172 7.399) 13.724 11.433 ( 0.547 4.322 -7.437) 8.619 12.251 ( -0.650 -1.631 8.052) 8.241 13.165 ( -2.374 -2.436 -1.315) 3.647 13.551 ( 5.417 -7.156 -2.618) 9.349 14.653 ( -22.589 -3.495 -6.098) 23.657 14.686 ( 6.103 -6.669 -4.517) 10.106 17.318 ( 1.782 4.278 1.158) 4.777 17.963 ( -5.579 7.688 2.170) 9.744 18.025 ( 8.260 -3.494 -3.158) 9.508 19.641 ( 7.910 15.341 -3.442) 17.600 20.768 ( 1.901 4.931 -0.825) 5.349 21.386 ( -2.517 -3.941 11.201) 12.138 ======================= Grid point 389 (217/294) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( 4.908 -6.155 -0.344) 7.880 3.347 ( -4.752 0.773 -2.514) 5.432 3.689 ( 1.840 -6.110 -7.691) 9.993 3.977 ( 6.028 -9.101 -0.787) 10.944 4.299 ( -2.513 7.157 0.209) 7.588 4.795 ( 4.392 4.101 -3.354) 6.882 5.065 ( -8.378 3.477 8.427) 12.381 5.969 ( -2.079 -3.806 -1.558) 4.609 6.314 ( -5.350 1.458 2.816) 6.219 7.642 ( -2.980 -5.908 -7.350) 9.890 7.991 ( 18.172 -1.999 4.326) 18.786 8.784 ( 9.000 -7.067 2.661) 11.748 9.002 ( 4.288 -3.363 0.308) 5.458 9.384 ( -1.121 6.789 -1.739) 7.097 9.627 ( -2.658 13.076 -0.078) 13.343 9.859 ( 8.613 -10.850 -4.395) 14.534 10.431 ( -5.145 -8.135 0.825) 9.661 10.830 ( -15.869 7.904 4.463) 18.281 11.405 ( -1.817 -0.385 -4.165) 4.560 12.313 ( -1.368 6.342 8.408) 10.620 13.105 ( -1.127 -1.855 -1.568) 2.678 13.531 ( 2.597 -7.744 -2.907) 8.670 14.264 ( -15.253 -2.637 -4.956) 16.253 14.643 ( 0.773 -6.669 -8.106) 10.525 17.329 ( 0.938 -1.108 -10.786) 10.883 17.637 ( -26.291 6.590 11.832) 29.574 18.487 ( 29.429 -1.522 2.791) 29.600 19.846 ( 4.548 9.240 -4.430) 11.211 20.868 ( 6.090 3.957 -1.791) 7.480 21.372 ( -6.346 1.960 11.960) 13.680 ======================= Grid point 390 (218/294) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 0.548 -12.267 -9.929) 15.791 3.375 ( -0.049 -0.212 8.225) 8.228 3.620 ( 2.580 -5.705 -5.556) 8.371 4.014 ( 10.202 -9.200 0.558) 13.748 4.300 ( -4.376 2.785 -2.317) 5.681 4.808 ( -14.843 10.833 1.670) 18.451 5.077 ( 3.239 6.958 2.212) 7.988 5.930 ( 2.348 -0.537 -2.483) 3.459 6.315 ( -1.710 5.159 2.822) 6.124 7.555 ( 3.078 -4.419 -3.128) 6.227 8.239 ( 21.371 -19.507 3.169) 29.109 8.742 ( -1.230 -13.871 -0.992) 13.961 9.070 ( 0.154 9.652 1.331) 9.744 9.466 ( -2.242 6.692 2.325) 7.431 9.589 ( -7.137 2.353 -4.413) 8.715 9.917 ( 10.682 -12.448 -6.332) 17.583 10.375 ( 4.508 2.885 7.806) 9.465 10.703 ( -13.058 10.649 4.442) 17.426 11.351 ( -1.994 1.182 -1.678) 2.862 12.383 ( -4.555 8.926 3.408) 10.585 13.082 ( 0.674 -0.853 -0.445) 1.175 13.456 ( 0.473 -8.987 -2.409) 9.317 14.085 ( -4.289 4.275 -2.609) 6.594 14.502 ( -2.681 -8.408 -7.288) 11.446 17.180 ( -6.575 -1.772 -16.078) 17.460 17.419 ( -14.246 -0.479 14.206) 20.124 18.928 ( 21.473 -0.678 4.642) 21.980 19.905 ( -0.872 3.564 -3.596) 5.137 20.982 ( 4.101 -2.537 2.456) 5.412 21.389 ( -4.146 12.434 4.595) 13.889 ======================= Grid point 395 (219/294) ======================= q-point: ( 0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( -6.446 6.026 6.540) 10.983 3.307 ( 3.186 -7.306 -3.990) 8.913 3.615 ( 1.020 -1.638 3.963) 4.408 3.808 ( 3.299 9.408 4.329) 10.869 4.330 ( 2.821 -8.155 1.818) 8.819 4.594 ( 6.782 0.955 3.621) 7.747 5.371 ( -0.308 0.912 -7.866) 7.925 6.084 ( 8.446 -7.156 -2.886) 11.439 6.511 ( -8.089 -8.703 0.779) 11.907 7.581 ( 0.273 0.140 -0.214) 0.374 7.869 ( -9.569 7.547 -2.359) 12.413 8.621 ( 6.710 13.233 0.781) 14.858 9.054 ( -5.620 9.996 4.929) 12.482 9.251 ( 10.705 -12.496 1.049) 16.488 9.484 ( -2.316 -1.014 6.544) 7.016 9.726 ( 5.404 5.280 -0.980) 7.618 10.527 ( 0.144 -3.760 0.587) 3.808 10.999 ( -20.500 -4.577 -0.517) 21.011 11.622 ( 2.897 -8.427 -10.291) 13.612 12.519 ( -1.055 2.441 -6.637) 7.150 13.092 ( 1.352 -0.627 2.994) 3.344 13.356 ( 6.509 0.458 6.806) 9.429 14.429 ( 6.420 -2.300 6.461) 9.394 14.612 ( 3.723 -22.330 -0.252) 22.640 16.925 ( 6.812 1.633 10.057) 12.256 17.543 ( -0.606 20.164 19.793) 28.261 18.621 ( -3.995 -1.814 -20.815) 21.272 19.740 ( -8.841 9.360 -7.082) 14.695 20.613 ( -3.912 0.815 6.088) 7.282 21.835 ( -2.115 -2.424 -10.875) 11.341 ======================= Grid point 396 (220/294) ======================= q-point: ( 0.33 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( -4.087 12.116 5.399) 13.880 3.306 ( 3.814 -4.710 0.011) 6.060 3.660 ( 2.911 -1.694 5.038) 6.060 3.934 ( -3.597 12.228 4.215) 13.425 4.284 ( 2.496 -8.257 -3.554) 9.330 4.794 ( 13.946 -4.041 5.396) 15.490 5.265 ( -4.242 -6.252 -10.333) 12.801 6.104 ( 4.510 -7.168 -3.483) 9.157 6.320 ( -4.172 -8.094 2.009) 9.325 7.611 ( 3.827 -2.162 2.934) 5.285 7.820 ( -14.360 24.102 1.471) 28.094 8.808 ( -0.684 13.034 3.212) 13.441 9.117 ( -2.859 10.995 2.201) 11.571 9.302 ( 9.446 -12.475 -0.985) 15.678 9.473 ( 0.467 0.071 -1.296) 1.379 9.937 ( 11.777 5.527 3.355) 13.435 10.451 ( -11.186 -5.392 1.534) 12.512 10.653 ( -6.950 -7.676 1.541) 10.469 11.526 ( 1.577 -8.444 -4.330) 9.620 12.446 ( -2.202 -3.168 -6.661) 7.698 13.148 ( 3.687 -0.201 1.520) 3.993 13.544 ( 8.690 0.078 8.699) 12.296 14.166 ( -8.960 -13.658 -1.515) 16.405 14.881 ( 24.514 -7.898 4.866) 26.210 16.956 ( -7.968 -0.539 7.510) 10.963 17.744 ( -1.836 -0.426 4.625) 4.994 18.551 ( 1.348 16.942 -8.039) 18.801 19.654 ( -8.226 11.424 -9.048) 16.735 20.637 ( -1.996 6.033 6.180) 8.864 21.665 ( -3.798 -8.897 -9.664) 13.674 ======================= Grid point 397 (221/294) ======================= q-point: ( 0.42 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( -0.332 0.223 5.130) 5.145 3.380 ( 2.055 11.612 2.755) 12.110 3.728 ( 3.267 -1.296 4.200) 5.476 3.975 ( -7.042 9.379 3.487) 12.236 4.232 ( 2.918 -4.483 -6.098) 8.112 4.973 ( -0.238 -3.066 -0.458) 3.109 5.019 ( 5.706 -17.570 -6.120) 19.460 6.062 ( 1.811 -7.318 -2.460) 7.930 6.284 ( 3.360 -2.815 3.912) 5.875 7.711 ( 2.731 7.672 2.069) 8.402 7.841 ( -10.989 18.040 6.107) 21.988 8.882 ( -8.815 12.426 5.240) 16.111 9.118 ( -4.151 -1.072 -2.876) 5.163 9.312 ( 4.368 -4.245 -4.830) 7.774 9.519 ( 3.175 6.881 -4.204) 8.666 10.029 ( -11.843 -9.169 3.491) 15.379 10.324 ( 9.445 3.993 10.025) 14.340 10.632 ( 6.907 -7.497 -0.026) 10.194 11.490 ( 3.159 -3.614 -0.772) 4.862 12.319 ( -1.840 -8.064 -5.186) 9.763 13.201 ( 3.100 -1.278 -1.200) 3.562 13.662 ( -2.133 -2.876 8.386) 9.118 14.035 ( 6.758 -4.153 -0.612) 7.956 15.237 ( 25.285 -9.616 3.826) 27.321 16.774 ( -13.911 -2.843 -0.099) 14.199 17.601 ( -3.697 -5.738 -12.443) 14.193 18.818 ( 2.691 22.433 11.138) 25.191 19.554 ( -10.852 11.491 -10.362) 18.899 20.714 ( -2.237 8.942 5.193) 10.580 21.457 ( -1.798 -12.727 -6.502) 14.405 ======================= Grid point 398 (222/294) ======================= q-point: ( 0.50 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( -2.748 -2.030 5.635) 6.590 3.551 ( 1.124 12.547 -0.359) 12.602 3.771 ( 0.500 -1.928 2.437) 3.147 3.903 ( -6.437 -0.124 -3.416) 7.288 4.257 ( 3.711 2.655 -1.354) 4.759 4.761 ( -1.168 -9.560 -5.529) 11.105 5.080 ( 5.489 -8.167 1.857) 10.014 6.022 ( 2.302 -5.570 -0.821) 6.083 6.392 ( 9.250 -2.859 4.486) 10.670 7.742 ( -18.491 18.279 5.441) 26.564 7.951 ( 11.128 0.780 1.536) 11.260 8.722 ( -18.600 0.587 -5.124) 19.302 9.039 ( -6.421 4.678 8.413) 11.571 9.320 ( 0.966 2.948 -5.181) 6.039 9.626 ( 3.395 8.060 -4.357) 9.771 9.767 ( -5.497 -14.139 1.012) 15.204 10.630 ( 11.268 -0.505 7.936) 13.791 10.699 ( 8.569 -1.058 3.265) 9.231 11.530 ( 1.814 2.784 -2.334) 4.060 12.198 ( 1.326 -10.862 -0.921) 10.982 13.213 ( 2.515 -2.230 -3.549) 4.888 13.578 ( -7.486 -1.452 4.466) 8.838 14.208 ( 13.797 -1.646 -0.474) 13.903 15.518 ( 12.721 -10.830 6.068) 17.775 16.547 ( -0.267 -3.499 -9.996) 10.594 17.440 ( -2.256 -2.109 -11.876) 12.271 19.127 ( -2.250 20.577 18.935) 28.053 19.371 ( -14.163 9.766 -14.731) 22.648 20.772 ( -3.580 7.265 3.764) 8.931 21.327 ( 3.011 -11.021 -0.571) 11.439 ======================= Grid point 399 (223/294) ======================= q-point: (-0.42 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( -4.532 1.531 7.331) 8.753 3.601 ( -2.720 3.427 -9.774) 10.708 3.726 ( 0.095 -3.038 -1.474) 3.378 3.797 ( -1.471 -3.197 -2.719) 4.447 4.346 ( 3.038 2.348 3.356) 5.099 4.690 ( 2.022 -5.669 -5.239) 7.979 5.085 ( 0.961 -1.724 3.716) 4.208 6.017 ( 2.749 -4.694 -0.112) 5.441 6.558 ( 8.948 -2.031 4.267) 10.119 7.581 ( -16.005 4.769 4.644) 17.334 8.152 ( 11.381 -0.325 -1.109) 11.439 8.360 ( -17.631 -1.827 -5.035) 18.427 9.024 ( -8.393 3.150 9.486) 13.052 9.365 ( 3.518 5.210 -1.413) 6.444 9.595 ( -2.180 -7.421 -2.169) 8.033 9.724 ( 3.452 5.742 -5.628) 8.750 10.677 ( 0.878 -3.234 -1.758) 3.784 10.967 ( 10.579 -0.285 13.350) 17.036 11.534 ( -4.368 8.288 -6.805) 11.579 12.171 ( 5.353 -8.464 4.241) 10.876 13.210 ( 1.934 -1.733 -3.639) 4.470 13.474 ( -4.754 -1.418 0.185) 4.964 14.386 ( 11.795 -3.671 -4.132) 13.025 15.398 ( -16.512 -8.397 1.793) 18.611 16.739 ( 32.445 -4.153 -8.777) 33.867 17.340 ( -1.256 0.053 -8.366) 8.460 19.025 ( -27.936 8.258 1.428) 29.166 19.432 ( 4.646 17.400 2.387) 18.167 20.789 ( -2.682 3.833 2.480) 5.295 21.336 ( 4.820 -5.699 6.306) 9.772 ======================= Grid point 400 (224/294) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( -3.831 1.364 7.345) 8.396 3.468 ( -3.316 -0.603 -11.742) 12.216 3.692 ( -0.815 -5.240 -2.810) 6.002 3.765 ( 5.155 -5.927 -3.978) 8.805 4.429 ( -1.878 4.851 3.957) 6.536 4.618 ( 2.963 -3.760 -6.427) 8.014 5.152 ( 0.996 4.453 5.683) 7.288 6.002 ( 1.039 -4.899 -1.356) 5.188 6.621 ( -5.063 0.807 3.929) 6.459 7.455 ( 1.731 -8.897 3.451) 9.698 8.031 ( -13.735 -1.243 -4.685) 14.565 8.357 ( 13.743 -2.697 -0.955) 14.038 8.943 ( -4.101 -6.451 6.442) 9.996 9.475 ( -0.541 2.411 -1.128) 2.716 9.552 ( 2.598 9.497 -1.428) 9.949 9.776 ( 0.855 3.711 -5.011) 6.294 10.605 ( -4.022 -3.855 -1.490) 5.767 11.132 ( 1.324 -3.755 13.388) 13.968 11.491 ( -5.701 11.238 -8.925) 15.441 12.252 ( 5.523 -0.899 7.462) 9.327 13.185 ( -2.109 -0.699 -1.938) 2.948 13.416 ( 1.583 -2.469 -3.507) 4.572 14.461 ( 7.794 -7.792 -7.781) 13.491 14.987 ( -23.352 -2.981 -2.887) 23.718 17.174 ( 24.413 -12.389 -22.909) 35.698 17.399 ( 16.851 7.527 11.417) 21.702 18.614 ( -29.991 5.394 1.770) 30.524 19.678 ( 4.312 15.095 2.511) 15.898 20.796 ( -0.936 2.382 0.298) 2.576 21.427 ( 3.042 -1.336 11.964) 12.417 ======================= Grid point 401 (225/294) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( -3.087 -11.329 -3.670) 12.303 3.426 ( -1.418 9.461 -1.261) 9.650 3.605 ( -1.429 -4.628 -2.086) 5.274 3.720 ( 6.320 -17.331 -5.846) 19.352 4.419 ( -3.740 6.553 -0.392) 7.555 4.732 ( 8.045 9.482 -2.205) 12.629 5.228 ( -1.818 4.015 5.987) 7.435 5.938 ( -0.947 -4.827 -3.511) 6.044 6.507 ( -11.324 3.651 4.351) 12.669 7.447 ( 9.773 -20.282 -0.311) 22.516 7.827 ( -3.739 -5.941 -1.597) 7.199 8.568 ( 12.730 -4.375 1.917) 13.597 8.896 ( 4.566 -4.065 2.255) 6.516 9.459 ( -2.288 7.157 -4.118) 8.569 9.700 ( 1.475 2.492 0.406) 2.924 9.772 ( -1.393 8.237 -4.351) 9.420 10.476 ( -6.057 -4.344 2.092) 7.741 11.119 ( -7.644 -1.179 11.005) 13.451 11.452 ( -4.894 8.800 -7.279) 12.425 12.417 ( 3.963 6.747 9.530) 12.331 13.111 ( -3.506 -0.742 -2.311) 4.264 13.421 ( 2.938 -1.894 -3.635) 5.043 14.370 ( -3.411 -11.543 -5.762) 13.345 14.628 ( -13.550 3.040 -9.308) 16.718 17.145 ( 6.754 -10.177 -17.774) 21.566 17.985 ( 32.084 4.435 5.387) 32.834 18.196 ( -27.441 2.346 8.319) 28.770 19.873 ( 2.513 10.801 1.148) 11.149 20.814 ( 2.074 1.652 -2.709) 3.790 21.536 ( -0.762 2.848 14.396) 14.695 ======================= Grid point 402 (226/294) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( -1.208 -18.392 -11.728) 21.847 3.461 ( -3.477 -4.501 7.350) 9.294 3.550 ( -1.007 -0.906 -2.165) 2.554 3.700 ( 13.182 -6.111 -3.867) 15.036 4.421 ( -4.720 6.540 -1.270) 8.165 4.969 ( 6.461 16.065 -5.011) 18.026 5.218 ( -7.534 1.791 7.390) 10.704 5.865 ( 0.642 -2.978 -4.946) 5.809 6.440 ( -4.945 6.883 3.911) 9.334 7.382 ( 8.638 -19.662 -2.641) 21.637 7.764 ( 8.467 -18.115 2.496) 20.151 8.588 ( 2.143 -16.104 3.014) 16.523 9.126 ( 11.637 13.333 -0.280) 17.700 9.508 ( 4.480 5.137 -5.000) 8.453 9.609 ( -5.925 -3.706 -3.017) 7.612 9.830 ( -3.897 7.537 -0.493) 8.499 10.407 ( -1.209 0.159 7.737) 7.833 11.021 ( -11.083 1.170 8.716) 14.149 11.422 ( -4.011 8.779 -4.029) 10.459 12.572 ( -2.657 9.104 8.258) 12.575 13.059 ( -0.188 0.385 -2.545) 2.580 13.392 ( -1.615 -3.444 -3.341) 5.063 14.177 ( -5.217 -1.137 -1.535) 5.556 14.442 ( -4.541 -0.730 -13.037) 13.825 17.015 ( 2.793 -12.447 -16.386) 20.766 17.832 ( -22.463 1.869 6.833) 23.554 18.567 ( 26.791 1.952 8.120) 28.063 19.967 ( -1.656 6.056 1.710) 6.507 20.868 ( 5.954 -0.153 -4.314) 7.354 21.621 ( -4.638 7.772 11.555) 14.678 ======================= Grid point 407 (227/294) ======================= q-point: ( 0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 14.483 -13.094 8.290) 21.212 3.444 ( -7.879 8.480 -0.444) 11.584 3.574 ( 1.683 -2.581 1.141) 3.285 3.663 ( 14.499 -4.062 -0.345) 15.062 4.378 ( -7.331 1.873 4.002) 8.560 4.681 ( -6.974 9.421 3.261) 12.167 5.347 ( -1.203 0.440 -6.808) 6.927 5.887 ( 6.756 -5.234 1.681) 8.710 6.577 ( -9.844 -7.454 -3.008) 12.709 7.447 ( 15.745 -5.222 -0.823) 16.608 7.844 ( 9.917 -3.422 -3.147) 10.953 8.608 ( 11.029 13.090 -1.662) 17.197 8.930 ( 7.751 -3.864 -1.702) 8.827 9.340 ( -9.781 4.203 8.074) 13.361 9.633 ( -5.734 -1.065 7.558) 9.546 9.747 ( -5.153 6.547 -1.406) 8.449 10.516 ( -2.121 -2.993 -1.709) 4.047 11.299 ( -18.648 -4.837 -3.025) 19.501 11.401 ( 5.413 -4.771 -7.346) 10.297 12.578 ( -4.770 7.881 -8.044) 12.230 13.078 ( -1.304 -3.786 1.412) 4.246 13.337 ( 2.120 2.381 5.374) 6.248 14.225 ( 14.521 -1.433 9.985) 17.681 14.537 ( -11.725 -19.303 0.734) 22.597 16.838 ( 15.006 2.764 14.836) 21.282 17.856 ( -3.636 14.722 14.907) 21.265 18.507 ( -0.940 -3.681 -20.857) 21.200 19.928 ( -8.837 6.264 -4.351) 11.673 20.715 ( -1.976 0.595 7.616) 7.891 21.796 ( -3.660 0.092 -13.362) 13.854 ======================= Grid point 408 (228/294) ======================= q-point: ( 0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 10.659 -9.584 7.032) 15.966 3.359 ( -6.381 10.171 -2.803) 12.330 3.600 ( 3.868 -3.256 2.315) 5.560 3.946 ( 14.566 1.452 2.434) 14.839 4.285 ( -6.932 0.701 1.595) 7.147 4.712 ( -1.806 5.648 5.537) 8.113 5.234 ( -5.292 -5.097 -9.622) 12.107 5.948 ( 5.334 -5.216 0.744) 7.497 6.353 ( -6.920 -4.463 -1.446) 8.360 7.545 ( 3.810 -3.282 3.059) 5.886 8.067 ( 9.890 13.692 -4.231) 17.412 8.854 ( 7.161 10.470 -3.627) 13.193 8.995 ( 7.680 -9.179 0.629) 11.985 9.325 ( -4.962 9.225 3.959) 11.198 9.570 ( -8.615 -0.102 6.520) 10.804 9.806 ( 9.765 3.425 0.970) 10.394 10.455 ( 0.203 -3.856 -1.276) 4.067 10.889 ( -21.989 -7.176 -2.075) 23.223 11.387 ( 2.963 -5.207 -2.452) 6.473 12.464 ( -7.087 0.472 -7.909) 10.630 13.083 ( 3.232 -1.500 1.051) 3.715 13.457 ( 6.808 0.085 5.117) 8.517 14.188 ( -8.443 -14.158 2.232) 16.634 14.517 ( 14.874 -3.795 6.568) 16.697 17.069 ( 1.996 -1.878 14.115) 14.379 17.800 ( -9.987 -10.445 -1.484) 14.527 18.584 ( 9.659 21.473 -8.893) 25.169 19.833 ( -7.201 6.689 -3.503) 10.434 20.776 ( -1.185 7.531 7.784) 10.895 21.604 ( -6.273 -6.516 -12.487) 15.419 ======================= Grid point 409 (229/294) ======================= q-point: ( 0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( 3.515 -6.340 6.644) 9.833 3.420 ( 4.689 9.115 -4.282) 11.109 3.683 ( 5.007 -1.235 6.899) 8.614 4.133 ( 4.358 1.364 -2.263) 5.097 4.201 ( -6.760 5.953 1.864) 9.198 4.743 ( 2.391 -10.977 0.458) 11.243 5.004 ( -6.301 -2.447 -6.127) 9.123 5.966 ( 2.089 -3.574 -0.611) 4.185 6.265 ( -1.268 -1.116 1.132) 2.034 7.630 ( 6.722 0.450 2.867) 7.322 8.258 ( -6.750 20.761 -1.207) 21.864 9.008 ( 4.631 5.952 -1.645) 7.718 9.049 ( 10.932 -12.581 1.582) 16.742 9.294 ( -11.036 4.866 -1.079) 12.110 9.517 ( 0.781 3.930 0.982) 4.126 10.079 ( 10.725 6.348 4.351) 13.200 10.445 ( -15.924 -1.385 3.778) 16.425 10.456 ( 1.503 -10.104 -2.803) 10.593 11.393 ( 3.936 -3.692 1.197) 5.528 12.287 ( -6.482 -4.104 -6.256) 9.899 13.128 ( 3.070 -1.042 -1.690) 3.656 13.619 ( 9.451 -1.983 5.203) 10.970 13.992 ( -5.839 -5.065 2.906) 8.257 14.766 ( 19.924 -8.602 1.548) 21.756 17.014 ( -14.149 -5.470 9.005) 17.641 17.523 ( -3.313 -8.033 -11.928) 14.758 18.939 ( 9.621 19.971 0.482) 22.173 19.771 ( -7.254 6.575 0.345) 9.797 20.897 ( -1.863 12.806 6.563) 14.510 21.339 ( -5.675 -12.070 -10.320) 16.863 ======================= Grid point 410 (230/294) ======================= q-point: (-0.50 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.202 ( 1.572 -4.314 3.667) 5.876 3.564 ( 6.021 4.472 -4.068) 8.533 3.776 ( 0.207 -1.048 6.422) 6.510 4.064 ( -12.472 3.631 -4.093) 13.620 4.191 ( 2.930 -2.949 -0.675) 4.211 4.619 ( 3.702 -9.227 -4.683) 10.990 5.002 ( 1.746 2.922 3.033) 4.559 5.950 ( 0.352 -2.290 -1.447) 2.732 6.287 ( 4.293 -1.387 3.150) 5.503 7.788 ( 9.154 -0.203 0.932) 9.203 8.212 ( -17.469 13.416 1.362) 22.068 8.943 ( -12.014 -7.469 -4.464) 14.833 9.135 ( 3.790 3.461 1.763) 5.427 9.259 ( 5.254 2.204 2.911) 6.398 9.596 ( 2.917 -0.486 -1.075) 3.147 9.934 ( -20.352 1.472 -3.771) 20.751 10.469 ( 12.374 -1.762 4.632) 13.330 10.577 ( 9.255 4.324 5.114) 11.424 11.474 ( 7.113 -0.466 2.017) 7.409 12.118 ( -4.656 -5.049 -2.865) 7.442 13.139 ( 1.870 -0.891 -4.446) 4.905 13.704 ( -3.064 -2.471 5.627) 6.867 13.981 ( 8.395 -1.049 -1.899) 8.671 15.040 ( 25.417 -12.023 -1.985) 28.187 16.676 ( -18.707 -6.414 -1.508) 19.833 17.405 ( -1.217 -1.551 -5.449) 5.795 19.233 ( 6.582 15.109 -6.112) 17.577 19.715 ( -11.022 6.728 10.259) 16.492 20.972 ( -9.066 7.668 4.087) 12.557 21.151 ( 4.927 -7.737 -4.115) 10.054 ======================= Grid point 411 (231/294) ======================= q-point: (-0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( 2.556 -4.439 1.669) 5.387 3.623 ( -0.552 1.895 -3.338) 3.878 3.708 ( -4.623 -4.649 -4.119) 7.743 3.808 ( -8.908 -5.900 -4.437) 11.570 4.296 ( 7.263 1.183 5.310) 9.075 4.623 ( 1.077 0.887 -3.936) 4.176 5.088 ( 2.259 4.357 3.711) 6.153 5.924 ( 1.693 -4.252 -1.807) 4.921 6.432 ( 9.424 2.266 5.146) 10.974 7.810 ( -6.195 -13.332 1.664) 14.795 8.071 ( -5.825 8.911 -0.964) 10.689 8.585 ( -17.170 -7.861 -4.821) 19.490 9.262 ( -6.789 3.928 9.508) 12.326 9.304 ( 2.818 -2.892 -1.206) 4.214 9.519 ( 2.327 -6.479 -0.466) 6.900 9.807 ( -4.417 17.250 -8.922) 19.917 10.608 ( 4.654 -1.007 1.194) 4.909 10.852 ( 11.767 2.764 9.136) 15.151 11.618 ( 4.311 6.733 0.038) 7.995 12.035 ( 1.456 -4.178 2.092) 4.895 13.133 ( 2.181 -0.071 -5.514) 5.930 13.599 ( -8.727 -0.833 2.097) 9.014 14.118 ( 11.677 -3.437 -7.030) 14.057 15.297 ( 18.533 -13.291 -3.428) 23.063 16.383 ( -4.409 -4.068 -5.010) 7.816 17.359 ( -1.913 1.831 -1.016) 2.836 19.294 ( -5.470 7.204 -17.020) 19.274 19.709 ( -8.914 10.923 19.409) 23.989 20.872 ( -3.356 -4.969 3.691) 7.041 21.253 ( 5.201 4.939 3.644) 8.045 ======================= Grid point 412 (232/294) ======================= q-point: (-0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( 0.995 -11.480 -5.359) 12.708 3.528 ( -6.787 -0.055 -1.554) 6.963 3.592 ( -0.374 -5.196 -3.794) 6.444 3.669 ( -1.143 -3.181 -2.950) 4.486 4.478 ( 6.904 6.005 4.323) 10.120 4.580 ( -4.289 2.121 -3.577) 5.974 5.204 ( 2.263 6.383 3.936) 7.833 5.904 ( 2.784 -5.405 -2.670) 6.640 6.658 ( 7.143 6.053 5.406) 10.812 7.440 ( -13.915 -23.163 2.744) 27.161 8.138 ( 6.972 -0.367 -2.556) 7.435 8.207 ( -14.671 -8.122 -4.215) 17.291 9.018 ( -10.283 -10.249 3.844) 15.018 9.496 ( 4.833 8.261 2.452) 9.880 9.566 ( 3.774 5.513 -1.479) 6.843 9.851 ( -3.829 14.253 -7.601) 16.601 10.622 ( -1.661 -1.546 0.295) 2.288 11.079 ( 8.071 -2.685 9.834) 13.002 11.689 ( -6.172 13.537 -3.279) 15.235 12.144 ( 10.479 -0.606 7.025) 12.630 13.156 ( 3.140 1.355 -3.889) 5.179 13.456 ( -7.967 0.227 -1.096) 8.046 14.190 ( 9.484 -5.712 -12.406) 16.628 15.244 ( -9.960 -7.646 -1.327) 12.626 16.460 ( 24.283 -9.443 -12.616) 28.948 17.399 ( 2.655 5.685 5.194) 8.146 19.039 ( -18.998 2.269 -8.662) 21.003 19.832 ( -2.041 12.723 10.070) 16.354 20.823 ( -0.718 -4.408 3.644) 5.764 21.428 ( 5.242 5.199 9.619) 12.126 ======================= Grid point 413 (233/294) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( -2.884 -17.359 -11.482) 21.011 3.367 ( 3.705 -20.142 -8.561) 22.197 3.594 ( -1.600 2.582 2.214) 3.758 3.637 ( -4.175 8.426 3.539) 10.047 4.527 ( -2.943 5.748 -3.150) 7.185 4.696 ( 7.567 10.571 2.429) 13.225 5.308 ( 0.271 5.515 3.471) 6.522 5.868 ( 0.977 -4.560 -4.379) 6.397 6.748 ( -8.667 4.724 3.458) 10.459 7.079 ( 3.171 -31.907 3.874) 32.297 7.876 ( -10.871 -8.237 -3.864) 14.176 8.299 ( 14.454 -4.807 -0.901) 15.258 8.842 ( -2.828 -6.486 2.864) 7.633 9.550 ( -2.955 7.047 -2.018) 7.903 9.762 ( 5.114 10.420 1.163) 11.666 9.843 ( -5.098 9.973 -6.804) 13.106 10.553 ( -4.774 -1.768 2.277) 5.577 11.177 ( 2.017 -6.112 9.624) 11.578 11.664 ( -9.732 14.866 -4.016) 18.217 12.404 ( 11.272 5.419 9.210) 15.532 13.172 ( -2.872 1.452 -1.185) 3.430 13.374 ( -0.677 2.936 -3.572) 4.673 14.181 ( 6.088 -5.644 -14.154) 16.409 14.917 ( -20.484 -2.271 -1.501) 20.664 16.659 ( 21.862 -14.666 -18.545) 32.202 17.673 ( 17.814 8.116 8.242) 21.240 18.663 ( -23.821 0.031 0.017) 23.821 19.978 ( -0.048 11.181 5.019) 12.256 20.788 ( -0.360 -3.156 -0.518) 3.218 21.628 ( 3.905 5.092 14.118) 15.507 ======================= Grid point 414 (234/294) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -4.986 -22.202 -14.131) 26.785 3.194 ( 8.846 -27.731 -6.645) 29.856 3.587 ( -2.106 2.963 0.455) 3.664 3.739 ( -2.484 15.596 7.513) 17.489 4.539 ( -2.531 6.480 -1.586) 7.135 4.961 ( 9.345 14.719 -1.398) 17.491 5.342 ( -3.001 1.747 2.156) 4.087 5.801 ( -0.531 -2.893 -5.812) 6.514 6.599 ( -3.927 -8.049 3.473) 9.605 6.936 ( 5.655 -24.809 2.927) 25.613 7.662 ( -4.148 -7.671 -0.426) 8.731 8.407 ( 5.946 -13.449 1.739) 14.807 8.917 ( 15.126 2.071 -2.960) 15.552 9.541 ( -4.136 6.018 -2.125) 7.606 9.760 ( -8.175 8.473 -2.623) 12.062 9.936 ( 1.213 9.027 -0.227) 9.111 10.498 ( -3.439 0.717 6.974) 7.809 11.157 ( -3.321 -6.649 8.318) 11.154 11.625 ( -8.981 14.550 -2.584) 17.293 12.686 ( 6.759 7.828 9.889) 14.309 13.102 ( -5.000 2.899 -1.245) 5.912 13.389 ( -1.175 2.862 -4.718) 5.642 14.143 ( 3.596 -1.205 -8.815) 9.597 14.566 ( -17.198 0.391 -6.240) 18.299 16.670 ( 10.818 -15.837 -16.282) 25.159 18.107 ( 9.676 8.297 -8.986) 15.596 18.344 ( -6.457 -3.037 19.604) 20.862 20.086 ( -1.907 8.169 4.356) 9.452 20.754 ( 2.375 -2.716 -5.689) 6.736 21.803 ( -0.031 6.306 13.899) 15.263 ======================= Grid point 480 (235/294) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.000 0.000 27.945) 27.945 1.525 ( 0.000 0.000 27.945) 27.945 3.607 ( 0.000 0.000 53.463) 53.463 4.062 ( 0.000 0.000 3.515) 3.515 4.539 ( -0.000 -0.000 -19.254) 19.254 4.539 ( 0.000 -0.000 -19.254) 19.254 6.121 ( 0.000 0.000 5.567) 5.567 6.121 ( 0.000 0.000 5.567) 5.567 6.335 ( -0.000 -0.000 -11.321) 11.321 7.636 ( -0.000 0.000 4.422) 4.422 7.636 ( 0.000 0.000 4.422) 4.422 8.071 ( -0.000 -0.000 -14.992) 14.992 8.848 ( -0.000 0.000 10.217) 10.217 8.848 ( 0.000 0.000 10.217) 10.217 10.024 ( -0.000 0.000 6.506) 6.506 10.024 ( 0.000 0.000 6.506) 6.506 11.104 ( -0.000 -0.000 -6.417) 6.417 11.430 ( -0.000 -0.000 -4.001) 4.001 11.611 ( -0.000 -0.000 -17.908) 17.908 11.611 ( 0.000 -0.000 -17.908) 17.908 13.862 ( 0.000 0.000 3.891) 3.891 13.862 ( 0.000 0.000 3.891) 3.891 14.264 ( 0.000 0.000 7.116) 7.116 15.836 ( -0.000 0.000 18.127) 18.127 15.836 ( 0.000 0.000 18.127) 18.127 17.751 ( 0.000 0.000 1.354) 1.354 18.023 ( 0.000 -0.000 -13.873) 13.873 18.023 ( 0.000 -0.000 -13.873) 13.873 20.390 ( -0.000 -0.000 -6.831) 6.831 22.041 ( 0.000 0.000 4.846) 4.846 ======================= Grid point 481 (236/294) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -0.921 11.738 25.483) 28.071 2.198 ( 33.111 11.897 23.382) 42.245 3.860 ( -1.180 -1.022 8.631) 8.771 4.088 ( -3.275 3.031 24.460) 24.864 4.300 ( 1.539 -6.563 -1.911) 7.006 4.605 ( 6.861 2.543 -18.447) 19.845 5.942 ( -13.362 -2.156 3.193) 13.906 6.156 ( 3.802 -8.705 1.230) 9.579 6.473 ( 7.592 12.280 -4.828) 15.223 7.290 ( -25.673 -23.600 5.053) 35.236 7.686 ( -7.831 12.302 4.795) 15.351 7.825 ( 0.482 -0.502 3.138) 3.214 8.847 ( 9.081 -22.274 7.203) 25.109 9.303 ( 12.365 25.096 -5.727) 28.557 9.960 ( -3.220 -1.992 5.832) 6.953 10.158 ( -0.841 4.819 5.289) 7.204 10.989 ( -5.018 -5.579 -6.031) 9.627 11.218 ( -15.970 13.237 -8.225) 22.314 11.426 ( 8.381 -12.204 -10.341) 18.059 12.082 ( 27.883 18.423 -20.845) 39.388 13.711 ( -8.480 -9.874 4.765) 13.860 13.934 ( -3.807 4.236 3.345) 6.605 14.295 ( 0.741 -1.118 5.709) 5.864 15.822 ( -7.424 4.937 17.193) 19.367 16.056 ( 8.978 -11.455 22.102) 26.464 17.587 ( -13.321 -3.442 -13.187) 19.057 18.101 ( 12.553 12.506 -10.688) 20.694 18.201 ( 21.818 4.529 -12.742) 25.669 20.366 ( 0.988 1.141 -6.058) 6.243 22.058 ( -0.634 -0.613 3.101) 3.224 ======================= Grid point 482 (237/294) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 6.339 16.354 19.588) 26.293 2.891 ( 19.121 8.375 23.164) 31.182 3.731 ( -6.840 -1.577 -6.116) 9.310 4.035 ( -2.274 -3.592 -11.624) 12.377 4.595 ( 6.228 -3.686 -16.902) 18.387 4.698 ( 21.832 8.152 34.997) 42.046 5.712 ( -15.011 -3.444 5.228) 16.264 6.104 ( 0.092 -9.492 -2.988) 9.952 6.656 ( 2.383 10.425 -3.144) 11.147 6.816 ( -13.864 -8.313 10.201) 19.115 7.740 ( -3.272 10.972 6.661) 13.246 7.896 ( 2.889 1.152 4.030) 5.091 8.801 ( 5.715 -19.344 5.105) 20.807 9.542 ( 5.471 7.999 -10.054) 13.964 9.914 ( -2.843 -4.684 1.610) 5.711 10.129 ( -10.885 4.603 1.718) 11.942 10.820 ( -7.555 5.278 -7.178) 11.682 11.099 ( -8.615 8.574 -4.828) 13.078 11.488 ( 12.000 -4.133 -2.771) 12.991 12.470 ( 13.966 14.168 -17.507) 26.501 13.486 ( -9.970 -10.698 5.722) 15.703 13.858 ( -9.751 0.364 4.427) 10.715 14.360 ( 3.492 1.757 2.794) 4.805 15.872 ( -9.842 8.923 17.233) 21.759 16.186 ( 12.764 -23.374 21.315) 34.111 17.263 ( -9.227 -5.053 -14.239) 17.703 18.316 ( 7.737 15.762 -12.526) 21.568 18.609 ( 27.309 5.701 -16.380) 32.351 20.372 ( 1.446 2.406 -4.019) 4.902 22.041 ( -1.233 -1.691 -0.460) 2.142 ======================= Grid point 483 (238/294) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 9.147 15.309 13.682) 22.477 3.267 ( 5.808 2.952 21.618) 22.578 3.614 ( -1.933 1.301 -6.375) 6.787 3.886 ( -5.684 -3.043 -5.307) 8.350 4.552 ( 5.830 -6.558 -13.880) 16.421 5.271 ( 12.474 -1.423 8.016) 14.896 5.456 ( -14.735 0.653 9.410) 17.495 6.005 ( 6.186 -6.723 -0.713) 9.163 6.651 ( -1.992 -1.068 4.221) 4.788 6.858 ( 1.205 13.102 5.969) 14.448 7.843 ( -2.989 11.346 5.609) 13.005 7.999 ( 6.716 1.419 4.234) 8.065 8.753 ( 4.407 -12.189 2.559) 13.211 9.585 ( 3.812 -0.633 -10.339) 11.038 9.787 ( -4.604 -10.498 2.884) 11.821 9.954 ( -12.956 3.593 -1.126) 13.492 10.776 ( -6.138 16.359 -6.642) 18.693 10.979 ( -8.681 -1.049 -0.696) 8.771 11.648 ( 10.142 -0.044 -4.027) 10.912 12.619 ( 2.505 6.789 -8.947) 11.507 13.271 ( -9.168 -7.340 5.530) 12.981 13.712 ( -9.580 -2.769 5.304) 11.294 14.456 ( 2.671 4.150 1.057) 5.047 15.754 ( -20.346 -2.542 14.001) 24.828 16.389 ( 19.954 -11.968 15.583) 28.004 17.055 ( -1.342 -8.955 -4.055) 9.922 18.499 ( 5.915 14.814 -13.910) 21.164 18.966 ( 21.478 6.169 -16.115) 27.551 20.416 ( 2.434 3.764 -1.052) 4.604 21.979 ( -1.804 -2.940 -4.270) 5.489 ======================= Grid point 484 (239/294) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 9.770 13.589 9.233) 19.114 3.467 ( 5.036 -0.049 14.849) 15.679 3.591 ( -1.278 2.496 -6.407) 6.994 3.742 ( -6.065 -1.605 1.636) 6.484 4.496 ( 2.390 -4.870 -8.708) 10.259 5.033 ( -17.580 -13.789 6.122) 23.166 5.389 ( -4.284 -1.257 -5.719) 7.255 6.200 ( 9.441 1.945 -2.473) 9.951 6.626 ( -2.622 -3.218 8.137) 9.135 7.132 ( 11.787 15.025 4.099) 19.532 7.903 ( -6.122 12.748 2.771) 14.411 8.209 ( 13.140 0.481 3.696) 13.658 8.771 ( 6.006 -3.632 2.464) 7.439 9.523 ( -1.556 -4.217 -8.040) 9.211 9.657 ( -0.265 -12.156 7.293) 14.179 9.786 ( -12.081 4.710 -2.779) 13.261 10.744 ( -10.138 3.299 -2.902) 11.049 10.902 ( -0.502 10.950 1.519) 11.066 11.718 ( 4.121 -1.906 -10.571) 11.505 12.587 ( -3.997 -1.459 -4.318) 6.062 13.140 ( -4.178 -3.814 5.908) 8.179 13.563 ( -8.685 -3.214 4.590) 10.336 14.517 ( 0.167 0.519 2.011) 2.083 15.402 ( -24.817 -0.695 5.934) 25.526 16.768 ( 22.306 -2.372 13.400) 26.129 16.968 ( 2.995 -16.969 8.285) 19.119 18.608 ( 1.889 12.715 -14.675) 19.509 19.257 ( 16.865 7.754 -12.562) 22.413 20.510 ( 3.400 5.133 1.836) 6.425 21.880 ( -1.578 -3.847 -7.754) 8.798 ======================= Grid point 485 (240/294) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 9.452 12.239 6.093) 16.621 3.457 ( -9.696 -1.915 -3.695) 10.551 3.624 ( 5.851 -3.012 8.333) 10.618 3.717 ( -0.965 1.031 2.899) 3.225 4.449 ( -0.620 0.685 -3.381) 3.505 4.666 ( -14.375 -12.068 6.912) 20.002 5.292 ( 0.274 -1.675 -8.119) 8.294 6.170 ( -6.380 -3.525 -4.547) 8.592 6.638 ( -0.377 1.284 4.773) 4.957 7.472 ( 10.632 8.784 -1.672) 13.892 7.945 ( -4.847 13.549 1.405) 14.459 8.383 ( 8.207 -8.391 0.187) 11.739 8.931 ( 9.709 4.346 4.742) 11.646 9.429 ( -3.135 -2.663 1.994) 4.572 9.568 ( -11.434 -1.044 -5.161) 12.588 9.627 ( 1.961 -6.238 5.817) 8.752 10.617 ( -5.307 0.749 1.562) 5.583 11.092 ( 4.562 16.355 2.801) 17.209 11.621 ( -1.978 -5.223 -15.171) 16.166 12.457 ( -2.834 -5.127 -4.896) 7.634 13.114 ( -0.311 -2.543 5.583) 6.143 13.430 ( -7.023 -1.808 3.308) 7.971 14.466 ( -3.910 -10.914 6.206) 13.149 15.086 ( -21.875 13.784 1.175) 25.882 16.900 ( 1.778 -20.261 14.215) 24.814 17.189 ( 22.320 -4.346 10.497) 25.045 18.640 ( -2.661 13.283 -11.866) 18.009 19.523 ( 14.020 8.376 -8.977) 18.636 20.639 ( 3.346 6.179 3.715) 7.948 21.768 ( -0.179 -4.442 -11.000) 11.864 ======================= Grid point 486 (241/294) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( -12.382 -5.314 9.120) 16.271 3.340 ( 7.795 11.646 -4.935) 14.857 3.646 ( -3.525 -0.536 2.386) 4.290 3.687 ( -3.886 -9.568 4.306) 11.189 4.436 ( -3.407 4.050 5.252) 7.456 4.542 ( 6.050 -2.053 0.038) 6.389 5.267 ( 3.243 -0.454 -7.053) 7.777 5.985 ( -7.484 -4.943 0.206) 8.971 6.678 ( 0.431 5.949 -1.988) 6.287 7.520 ( -8.044 -3.485 -3.746) 9.533 7.979 ( -7.973 9.100 0.976) 12.138 8.349 ( 4.904 -14.304 -0.025) 15.121 9.035 ( -8.177 -0.964 -3.494) 8.944 9.362 ( 1.652 5.936 8.964) 10.877 9.572 ( 10.399 0.011 -1.320) 10.483 9.679 ( 3.256 1.485 5.447) 6.517 10.584 ( -2.888 2.502 1.040) 3.960 11.364 ( 7.106 12.270 4.648) 14.922 11.401 ( -5.602 -3.369 -15.794) 17.093 12.382 ( 4.713 -5.706 -6.927) 10.137 13.135 ( 0.721 -0.018 3.679) 3.749 13.353 ( -3.344 0.331 3.042) 4.532 14.292 ( -6.539 -14.324 10.874) 19.136 14.958 ( -15.487 20.240 0.248) 25.487 16.802 ( 0.439 -24.586 17.564) 30.219 17.508 ( 18.653 -7.996 1.362) 20.340 18.650 ( -7.212 17.454 -5.345) 19.627 19.767 ( 12.071 7.314 -6.050) 15.356 20.762 ( 1.335 5.195 3.758) 6.549 21.668 ( 2.565 -4.216 -13.834) 14.687 ======================= Grid point 493 (242/294) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 18.889 18.154 22.893) 34.791 2.208 ( -15.198 24.565 23.490) 37.232 3.882 ( 1.110 -4.283 0.779) 4.492 4.078 ( 0.254 -11.339 -15.442) 19.160 4.412 ( -4.244 6.039 34.085) 34.875 4.538 ( -0.374 8.342 -9.245) 12.458 5.970 ( 6.099 -10.369 -0.119) 12.031 6.141 ( -10.406 -4.307 4.006) 11.953 6.466 ( 6.367 14.714 -3.705) 16.455 7.315 ( -6.684 -30.990 1.477) 31.737 7.714 ( 12.856 -0.016 3.589) 13.347 7.859 ( -0.653 4.103 1.989) 4.606 8.809 ( -18.826 -8.893 6.290) 21.750 9.279 ( 11.770 15.921 -1.509) 19.857 9.974 ( -0.900 -5.976 5.261) 8.013 10.262 ( 4.302 8.410 7.741) 12.213 10.952 ( -4.080 -5.799 -5.551) 9.005 11.068 ( 11.590 -11.683 -8.870) 18.695 11.610 ( -8.384 12.153 -18.496) 23.666 11.825 ( 4.827 27.925 -12.902) 31.138 13.774 ( -6.435 -8.663 3.907) 11.476 13.935 ( 7.788 -0.958 2.454) 8.222 14.318 ( -1.276 -2.128 5.296) 5.849 15.842 ( 3.445 -13.960 18.471) 23.408 16.282 ( -9.608 12.883 22.779) 27.878 17.652 ( 1.767 -8.932 -16.883) 19.182 17.820 ( 2.952 8.843 -8.894) 12.885 18.194 ( -3.071 21.535 -11.410) 24.564 20.337 ( 0.435 2.613 -5.651) 6.242 22.061 ( -0.252 -3.975 3.369) 5.217 ======================= Grid point 494 (243/294) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -8.893 26.473 18.272) 33.373 2.740 ( 27.530 16.290 19.903) 37.675 3.787 ( -7.586 -3.670 -9.046) 12.363 3.890 ( 3.117 -8.421 -7.758) 11.866 4.457 ( -1.178 2.976 -16.817) 17.119 4.757 ( 6.529 5.670 37.141) 38.134 5.917 ( -6.085 -4.443 -0.103) 7.535 5.982 ( -2.510 -9.649 5.088) 11.193 6.672 ( 3.810 8.428 -5.733) 10.882 6.942 ( -7.756 -13.427 6.428) 16.785 7.862 ( 2.426 2.576 1.119) 3.711 7.938 ( 0.561 8.618 4.077) 9.550 8.605 ( 0.188 -14.808 9.161) 17.413 9.464 ( 3.947 2.798 -6.004) 7.711 9.917 ( -2.640 -4.540 -0.125) 5.253 10.368 ( -8.435 6.743 3.989) 11.512 10.840 ( 0.860 -1.049 -2.744) 3.061 11.162 ( 15.841 -8.273 -6.884) 19.151 11.400 ( -14.861 14.754 -13.402) 24.863 12.259 ( 18.367 22.419 -14.362) 32.345 13.568 ( -8.493 -11.112 5.150) 14.904 14.015 ( -2.540 2.511 0.402) 3.594 14.310 ( 2.095 -3.434 4.641) 6.142 15.893 ( 8.376 -19.206 18.918) 28.230 16.313 ( -15.441 9.523 23.464) 29.660 17.307 ( -12.157 -5.103 -18.300) 22.554 18.166 ( 22.507 9.896 -10.820) 26.862 18.334 ( 4.489 20.231 -11.697) 23.796 20.356 ( 1.377 4.428 -4.425) 6.410 22.017 ( -0.745 -6.664 1.436) 6.857 ======================= Grid point 495 (244/294) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -2.054 21.795 13.313) 25.622 3.323 ( 11.505 8.461 21.065) 25.449 3.599 ( -2.149 -0.628 -12.349) 12.550 3.849 ( 1.782 -4.481 -2.124) 5.269 4.339 ( 0.333 -3.945 -13.805) 14.362 5.152 ( 10.802 2.803 16.010) 19.515 5.731 ( -12.319 -4.038 4.519) 13.729 5.885 ( -0.107 -6.663 3.512) 7.533 6.634 ( 0.918 -5.887 -0.553) 5.983 6.986 ( 1.482 10.424 4.742) 11.547 7.924 ( 2.462 2.505 1.523) 3.829 8.053 ( -0.068 10.359 3.921) 11.076 8.600 ( 5.207 -8.114 7.011) 11.921 9.453 ( 1.909 -4.101 -7.597) 8.842 9.791 ( -5.070 -7.496 -0.153) 9.051 10.208 ( -14.196 4.808 -1.762) 15.091 10.899 ( 1.800 5.729 0.587) 6.034 11.165 ( -10.859 2.670 -6.295) 12.832 11.374 ( 13.405 -2.156 -9.523) 16.584 12.563 ( 7.210 10.657 -9.493) 15.990 13.373 ( -7.691 -8.790 6.106) 13.179 13.913 ( -11.511 4.169 -0.757) 12.266 14.391 ( 6.912 -2.772 2.662) 7.908 15.953 ( 7.407 -26.014 20.037) 33.662 16.275 ( -12.444 11.675 15.730) 23.208 17.020 ( -6.160 -3.139 -10.417) 12.503 18.455 ( 8.639 10.862 -8.988) 16.535 18.639 ( 18.350 18.009 -14.542) 29.539 20.413 ( 2.320 5.699 -2.224) 6.543 21.928 ( -1.259 -8.393 -1.582) 8.633 ======================= Grid point 496 (245/294) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 2.773 18.642 9.620) 21.160 3.462 ( -0.678 -1.495 2.036) 2.615 3.642 ( 1.319 5.452 6.049) 8.250 3.817 ( -2.774 -0.947 1.214) 3.173 4.279 ( 7.885 -5.426 -11.326) 14.829 5.142 ( -9.286 -13.125 2.691) 16.301 5.492 ( -11.313 -5.511 -1.590) 12.684 6.050 ( 11.086 6.006 5.194) 13.636 6.609 ( 1.501 -8.682 3.406) 9.446 7.168 ( 5.480 13.247 3.354) 14.723 8.026 ( 5.832 1.061 1.130) 6.035 8.187 ( -1.466 16.082 2.782) 16.386 8.681 ( 5.027 0.944 4.330) 6.702 9.391 ( 3.075 -6.418 -7.937) 10.661 9.639 ( -4.178 -9.726 4.941) 11.682 10.028 ( -12.960 6.607 -3.248) 14.905 10.930 ( -12.274 -3.271 -1.170) 12.757 11.004 ( 1.482 9.655 0.444) 9.778 11.475 ( 10.274 -6.218 -12.548) 17.368 12.595 ( -1.925 -2.769 -4.092) 5.303 13.222 ( -6.505 -5.463 5.703) 10.232 13.748 ( -12.113 4.299 -1.524) 12.943 14.463 ( 4.326 -5.974 1.280) 7.486 15.801 ( -14.982 -8.337 12.755) 21.369 16.409 ( 12.571 -6.072 10.956) 17.746 16.932 ( -0.218 0.239 2.972) 2.990 18.615 ( 4.590 10.581 -6.261) 13.123 19.017 ( 16.753 17.927 -14.282) 28.391 20.515 ( 3.645 6.702 0.218) 7.632 21.800 ( -1.553 -9.429 -4.783) 10.686 ======================= Grid point 497 (246/294) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 4.030 17.586 6.359) 19.130 3.448 ( 1.630 -4.362 -2.742) 5.404 3.673 ( -5.312 1.312 7.635) 9.393 3.784 ( -2.229 1.933 2.322) 3.754 4.341 ( 8.595 -1.961 -5.495) 10.388 4.821 ( -13.514 -13.336 3.784) 19.360 5.276 ( -6.258 -4.111 -4.523) 8.747 6.171 ( -0.912 -1.629 -4.776) 5.128 6.587 ( 4.239 -9.597 6.156) 12.164 7.454 ( 8.340 17.650 -0.730) 19.535 8.098 ( 2.230 -2.221 2.336) 3.920 8.315 ( -3.528 15.457 -1.507) 15.926 8.869 ( 8.925 8.615 5.309) 13.493 9.351 ( 3.844 -4.681 -5.856) 8.425 9.558 ( 0.502 -7.959 7.437) 10.904 9.821 ( -16.258 2.591 -3.029) 16.740 10.725 ( -7.508 -2.454 0.935) 7.954 11.157 ( 5.829 6.460 1.865) 8.899 11.441 ( 3.236 -5.339 -14.089) 15.410 12.439 ( -5.585 -9.811 -2.904) 11.657 13.136 ( -2.627 -4.144 5.808) 7.603 13.590 ( -10.285 4.270 -1.828) 11.285 14.420 ( -0.246 -12.109 2.757) 12.421 15.557 ( -18.578 5.173 6.739) 20.428 16.559 ( 13.376 -23.465 9.232) 28.543 17.061 ( 6.384 7.302 7.814) 12.455 18.749 ( 1.607 11.937 -0.109) 12.046 19.349 ( 13.269 17.325 -13.263) 25.536 20.658 ( 4.432 7.627 1.643) 8.973 21.645 ( -1.080 -10.272 -7.877) 12.989 ======================= Grid point 498 (247/294) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( 0.436 4.832 -8.415) 9.713 3.395 ( -3.098 3.904 12.186) 13.166 3.658 ( -1.165 -1.813 4.667) 5.140 3.761 ( -5.028 -0.015 2.356) 5.553 4.418 ( 5.322 -1.061 -3.954) 6.715 4.581 ( -6.887 -4.138 6.582) 10.387 5.172 ( 1.231 -2.163 -5.827) 6.336 6.032 ( -5.487 -6.348 -1.881) 8.599 6.610 ( 5.410 -6.034 -1.235) 8.198 7.660 ( -4.531 14.632 -3.927) 15.813 8.112 ( 4.120 -7.473 3.035) 9.057 8.314 ( -10.747 10.946 0.127) 15.340 9.120 ( 2.326 10.714 0.146) 10.965 9.381 ( 7.597 -2.598 -2.763) 8.491 9.514 ( -9.187 -0.497 4.011) 10.037 9.644 ( 3.394 -0.831 4.471) 5.674 10.648 ( -2.257 -0.366 1.432) 2.698 11.213 ( 4.491 -12.017 -12.104) 17.637 11.453 ( 3.268 12.367 0.714) 12.812 12.247 ( -1.867 -10.629 -4.282) 11.610 13.120 ( 0.800 -3.570 5.666) 6.744 13.485 ( -7.146 5.813 -0.887) 9.254 14.288 ( -2.779 -14.309 6.940) 16.144 15.380 ( -15.193 8.696 3.605) 17.873 16.545 ( 7.869 -26.956 10.994) 30.157 17.277 ( 7.880 4.060 1.330) 8.963 18.902 ( -1.690 15.376 7.072) 17.008 19.620 ( 10.867 13.886 -11.692) 21.157 20.804 ( 2.569 7.225 0.852) 7.715 21.488 ( 1.316 -10.032 -10.394) 14.505 ======================= Grid point 505 (248/294) ======================= q-point: ( 0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 5.075 16.160 20.929) 26.924 2.876 ( -18.384 18.479 19.733) 32.694 3.726 ( 5.861 -5.734 -7.448) 11.077 3.960 ( -1.859 -5.880 -8.243) 10.295 4.539 ( -2.968 9.246 -19.099) 21.426 4.826 ( -8.469 9.570 35.092) 37.347 5.768 ( 7.167 -10.810 2.040) 13.130 6.217 ( 0.100 -2.041 2.055) 2.898 6.514 ( -1.810 7.057 -0.964) 7.349 6.973 ( 11.759 -21.377 2.320) 24.508 7.649 ( -0.071 -1.271 9.040) 9.129 7.931 ( -0.539 5.587 3.141) 6.432 9.097 ( -15.942 -6.016 -4.234) 17.557 9.221 ( 5.088 9.444 -1.732) 10.866 9.963 ( -1.095 -7.996 6.815) 10.563 10.228 ( 12.362 5.174 7.179) 15.203 10.712 ( 8.703 -12.533 -11.267) 18.967 10.980 ( -4.907 -1.667 -1.866) 5.509 11.572 ( 3.615 10.825 -10.021) 15.188 12.155 ( -15.936 15.087 -13.240) 25.629 13.718 ( 14.257 -3.965 3.738) 15.263 13.816 ( -4.106 -9.406 3.575) 10.868 14.341 ( -0.261 -1.246 2.709) 2.993 15.817 ( -2.203 -12.304 17.398) 21.422 16.670 ( 2.007 19.693 22.331) 29.842 17.326 ( 11.950 -1.523 -12.623) 17.449 17.930 ( -14.810 -0.433 -16.069) 21.857 18.477 ( -12.138 23.533 -14.810) 30.339 20.335 ( -0.549 3.163 -3.931) 5.075 22.032 ( 0.109 -5.551 1.456) 5.740 ======================= Grid point 506 (249/294) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 21.408 21.830 15.928) 34.476 2.878 ( -14.582 18.255 13.621) 27.045 3.697 ( 1.996 -5.979 -9.577) 11.465 3.831 ( -2.538 -3.137 -0.871) 4.128 4.436 ( -3.891 3.920 -17.658) 18.502 4.991 ( -3.219 5.235 28.081) 28.746 5.775 ( 4.965 -10.499 -0.248) 11.617 6.131 ( -8.266 -2.685 9.541) 12.906 6.618 ( 2.907 -0.176 -5.023) 5.807 6.897 ( 3.885 -8.341 3.113) 9.713 7.797 ( 7.809 2.973 5.365) 9.930 8.020 ( 0.954 8.041 2.809) 8.571 8.667 ( -15.598 -10.763 3.357) 19.246 9.399 ( 3.746 2.726 -4.017) 6.132 9.910 ( -1.375 -5.355 1.535) 5.738 10.527 ( 5.159 8.095 9.743) 13.678 10.735 ( 15.237 -10.575 -11.667) 21.912 10.843 ( -5.213 -1.801 -1.119) 5.628 11.577 ( -4.916 6.997 -18.178) 20.089 12.202 ( 6.373 21.214 -5.036) 22.716 13.620 ( -7.885 -11.834 3.392) 14.619 13.915 ( 11.908 -3.961 1.688) 12.663 14.344 ( -2.304 1.284 2.238) 3.459 15.761 ( -0.453 -16.896 17.115) 24.054 16.864 ( -15.832 17.783 24.151) 33.914 17.290 ( -4.531 -6.548 -16.517) 18.336 17.862 ( 15.156 9.714 -14.287) 22.982 18.473 ( -4.416 22.125 -12.816) 25.947 20.359 ( 0.900 5.465 -3.548) 6.578 21.964 ( -0.877 -9.275 2.014) 9.532 ======================= Grid point 507 (250/294) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( -7.531 14.441 5.986) 17.352 3.226 ( 21.732 14.424 6.900) 26.981 3.599 ( -4.391 0.340 -0.505) 4.433 3.805 ( 0.073 -1.681 2.084) 2.679 4.280 ( -4.381 -1.876 -13.596) 14.407 5.154 ( 2.856 -0.112 15.192) 15.458 5.704 ( -0.380 -10.948 -3.929) 11.638 6.054 ( -9.056 2.414 15.112) 17.783 6.523 ( 1.046 -9.341 -3.866) 10.164 7.043 ( 5.753 7.995 2.582) 10.183 7.927 ( 0.629 3.444 -0.706) 3.572 8.120 ( 2.903 6.400 1.865) 7.271 8.533 ( 2.639 -3.568 11.061) 11.918 9.376 ( -1.494 -2.453 -6.203) 6.835 9.805 ( -4.781 -6.254 -0.804) 7.913 10.485 ( -14.322 4.751 -0.758) 15.109 10.811 ( 12.251 -7.206 -9.352) 17.014 10.976 ( 12.662 -0.384 6.828) 14.391 11.394 ( -9.586 4.065 -16.038) 19.121 12.489 ( 8.300 10.731 -4.940) 14.438 13.426 ( -5.563 -9.460 4.542) 11.878 14.035 ( 4.414 -1.004 -1.804) 4.873 14.315 ( -3.181 2.286 0.450) 3.943 15.698 ( 4.257 -23.473 16.952) 29.266 16.831 ( -22.705 15.742 19.528) 33.833 17.046 ( -6.559 -1.112 -10.610) 12.523 18.208 ( 21.426 8.958 -13.220) 26.722 18.608 ( 4.078 22.232 -10.244) 24.816 20.421 ( 1.958 6.625 -2.569) 7.370 21.856 ( -1.633 -11.198 1.355) 11.398 ======================= Grid point 508 (251/294) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( 2.048 11.941 2.443) 12.359 3.471 ( -0.509 3.211 -9.412) 9.957 3.718 ( 5.123 7.738 17.949) 20.206 3.816 ( 2.117 0.268 1.165) 2.431 4.113 ( -2.678 -3.983 -10.101) 11.183 5.165 ( -4.618 -10.729 5.174) 12.775 5.527 ( -4.549 -10.844 -4.291) 12.518 6.095 ( -2.253 8.273 10.783) 13.776 6.474 ( 4.077 -9.750 -1.127) 10.628 7.210 ( 4.732 9.053 2.025) 10.414 7.946 ( 3.254 1.211 -3.357) 4.829 8.316 ( 6.505 13.350 3.254) 15.203 8.691 ( 4.279 5.677 10.270) 12.490 9.267 ( -1.450 -4.705 -7.153) 8.684 9.651 ( -5.140 -8.093 1.803) 9.756 10.295 ( -13.664 7.264 -3.506) 15.867 10.881 ( 12.430 -9.092 -9.640) 18.169 11.057 ( -7.828 -7.102 1.304) 10.650 11.275 ( 3.570 6.090 -5.850) 9.168 12.555 ( -0.335 -3.909 -3.421) 5.205 13.299 ( -5.159 -5.948 4.435) 9.036 13.986 ( -9.742 6.607 -6.754) 13.571 14.309 ( 3.847 -6.485 -0.359) 7.549 15.676 ( 9.345 -26.586 16.235) 32.523 16.669 ( -22.009 15.756 4.339) 27.413 16.989 ( -1.391 3.751 7.221) 8.255 18.512 ( 14.478 5.726 -6.582) 16.904 18.904 ( 11.665 24.822 -11.737) 29.832 20.519 ( 3.434 7.136 -1.152) 8.002 21.715 ( -2.654 -11.911 -0.009) 12.203 ======================= Grid point 509 (252/294) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( 8.381 12.033 3.614) 15.103 3.402 ( -3.741 1.251 -6.219) 7.365 3.808 ( -1.332 1.556 3.984) 4.479 3.880 ( -7.262 2.435 6.410) 9.987 4.108 ( 12.303 -0.523 -5.178) 13.358 4.923 ( -11.794 -11.412 2.615) 16.619 5.309 ( -6.647 -10.364 -2.180) 12.504 6.156 ( -1.935 0.258 -2.070) 2.845 6.441 ( 4.334 -10.922 3.770) 12.340 7.459 ( 10.304 15.478 0.782) 18.611 7.997 ( 4.396 -1.632 -4.058) 6.201 8.566 ( 0.085 19.622 1.942) 19.718 8.884 ( 4.368 11.471 7.803) 14.545 9.199 ( 3.845 -5.058 -4.573) 7.828 9.528 ( -1.925 -8.288 4.546) 9.647 10.103 ( -15.686 5.784 -4.812) 17.397 10.817 ( -8.965 -7.545 -0.682) 11.737 10.918 ( 12.106 -12.801 -11.806) 21.208 11.385 ( 2.498 6.767 0.533) 7.233 12.410 ( -5.238 -11.695 -1.107) 12.862 13.192 ( -4.711 -4.174 4.179) 7.556 13.813 ( -12.580 7.484 -7.382) 16.394 14.278 ( 3.401 -12.492 -0.511) 12.956 15.645 ( 5.041 -25.526 12.570) 28.896 16.514 ( -14.291 12.049 1.182) 18.730 17.115 ( 2.497 6.759 10.806) 12.988 18.751 ( 10.584 5.462 3.117) 12.312 19.265 ( 11.527 24.959 -14.335) 31.005 20.656 ( 5.102 7.646 -0.261) 9.196 21.543 ( -3.727 -12.351 -1.674) 13.009 ======================= Grid point 510 (253/294) ======================= q-point: (-0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( -2.899 -1.456 -5.782) 6.630 3.485 ( 6.983 8.301 4.958) 11.927 3.781 ( -8.838 2.281 7.313) 11.695 3.834 ( -1.169 3.101 -1.103) 3.493 4.272 ( 8.485 -1.528 -2.715) 9.039 4.672 ( -8.385 -6.698 4.299) 11.561 5.124 ( -2.774 -6.677 -3.044) 7.845 6.037 ( -4.462 -6.103 -2.534) 7.974 6.442 ( 4.451 -8.328 -0.695) 9.468 7.800 ( 9.132 18.752 -0.342) 20.860 7.981 ( 0.116 -6.302 -2.326) 6.718 8.656 ( -11.032 17.345 1.586) 20.617 9.152 ( 7.624 11.688 -0.220) 13.957 9.233 ( 6.008 -1.862 1.223) 6.408 9.526 ( 5.783 -2.667 5.777) 8.598 9.813 ( -19.320 0.830 -3.102) 19.585 10.660 ( -2.250 -5.705 -0.092) 6.133 10.890 ( 9.556 -14.120 -12.655) 21.233 11.497 ( 3.169 6.177 1.006) 7.015 12.192 ( -6.058 -11.288 -0.278) 12.814 13.130 ( -1.776 -3.213 5.051) 6.244 13.665 ( -8.908 7.305 -4.998) 12.557 14.190 ( 1.461 -14.040 1.846) 14.236 15.506 ( -0.786 -22.791 7.687) 24.065 16.434 ( -7.729 5.611 2.652) 9.912 17.275 ( 2.389 5.544 6.347) 8.760 19.018 ( 8.930 6.815 12.440) 16.761 19.552 ( 7.379 21.501 -16.622) 28.161 20.819 ( 4.911 8.759 -1.173) 10.110 21.346 ( -3.239 -12.640 -3.121) 13.417 ======================= Grid point 517 (254/294) ======================= q-point: ( 0.33 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -4.795 13.940 16.140) 21.860 3.319 ( -8.673 4.554 17.877) 20.385 3.573 ( 2.598 -1.139 -6.652) 7.232 3.875 ( 1.560 -4.920 -3.811) 6.416 4.543 ( -1.375 6.425 -16.947) 18.176 5.267 ( -11.500 8.079 13.938) 19.793 5.542 ( 9.721 -10.691 3.066) 14.771 6.166 ( 6.640 6.648 0.137) 9.397 6.650 ( -8.212 1.023 7.152) 10.937 6.698 ( 3.199 -13.070 4.228) 14.104 7.721 ( -3.344 -3.228 7.538) 8.855 8.035 ( -2.566 8.451 4.066) 9.723 9.049 ( 12.638 9.095 -1.485) 15.641 9.352 ( -14.853 -4.521 -11.137) 19.107 9.897 ( 2.829 -11.042 2.246) 11.617 10.099 ( 14.783 6.847 9.708) 18.964 10.474 ( -2.704 -13.013 -6.880) 14.966 10.992 ( 1.511 -2.868 0.242) 3.251 11.611 ( -3.371 5.548 -6.678) 9.313 12.415 ( -11.609 5.089 -6.814) 14.390 13.449 ( 13.207 -6.275 3.222) 14.973 13.801 ( 1.917 -5.030 6.125) 8.154 14.341 ( -2.571 -4.255 -0.362) 4.985 15.830 ( 2.618 -11.824 15.619) 19.764 16.709 ( 13.066 9.282 0.395) 16.032 17.282 ( 3.022 16.536 10.754) 19.955 18.085 ( -18.143 -3.158 -17.866) 25.658 18.800 ( -13.071 19.868 -17.078) 29.279 20.373 ( -2.116 3.582 -1.173) 4.323 21.966 ( 1.119 -6.005 -1.930) 6.406 ======================= Grid point 518 (255/294) ======================= q-point: ( 0.42 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 10.145 21.538 13.377) 27.308 3.252 ( -10.783 1.494 4.283) 11.698 3.612 ( 2.318 2.920 2.070) 4.265 3.826 ( -0.697 -2.825 0.023) 2.910 4.426 ( -4.293 1.766 -17.799) 18.395 5.233 ( -6.096 -1.869 12.476) 14.011 5.595 ( 5.792 -6.706 -0.013) 8.861 6.272 ( -1.491 2.797 3.832) 4.973 6.593 ( -5.922 -4.600 7.721) 10.763 6.724 ( 10.924 -2.663 2.582) 11.537 7.779 ( 3.831 3.817 7.444) 9.201 8.117 ( -1.090 9.905 3.169) 10.456 8.878 ( -20.190 -7.444 -5.867) 22.304 9.324 ( 7.117 3.290 -3.168) 8.456 9.862 ( 1.918 -7.675 3.139) 8.511 10.352 ( 7.814 -10.309 -10.417) 16.609 10.491 ( 14.270 6.916 13.070) 20.550 10.944 ( -5.355 -1.876 -0.020) 5.674 11.564 ( -1.363 3.799 -13.747) 14.327 12.326 ( -3.621 10.006 -0.377) 10.648 13.582 ( 5.938 -10.099 -0.105) 11.716 13.727 ( -0.045 -7.397 4.549) 8.684 14.360 ( 3.967 1.171 2.058) 4.620 15.787 ( -5.954 -11.685 15.549) 20.341 16.983 ( 16.034 -0.114 -10.504) 19.169 17.519 ( -10.159 21.866 20.153) 31.424 17.722 ( -6.184 0.696 -18.287) 19.317 18.702 ( -8.987 20.132 -16.695) 27.655 20.394 ( -0.399 6.182 -1.455) 6.364 21.890 ( -0.174 -10.103 0.484) 10.116 ======================= Grid point 519 (256/294) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 2.074 7.824 -6.890) 10.630 3.126 ( 4.995 10.355 7.833) 13.912 3.708 ( -0.669 5.530 9.991) 11.439 3.813 ( -0.092 -0.083 2.338) 2.341 4.251 ( -4.153 -1.214 -15.032) 15.642 5.187 ( -1.041 -8.620 9.567) 12.920 5.584 ( 1.101 -8.321 -2.153) 8.665 6.267 ( -1.265 1.645 -0.918) 2.270 6.490 ( -9.216 -1.514 12.507) 15.609 6.956 ( 12.562 2.918 1.900) 13.035 7.957 ( 3.997 7.884 3.666) 9.569 8.164 ( -3.783 4.633 -2.545) 6.500 8.580 ( -4.948 -1.679 6.974) 8.715 9.359 ( -0.676 -0.425 -4.258) 4.332 9.811 ( -2.761 -5.725 0.191) 6.359 10.367 ( 14.648 -12.710 -11.597) 22.596 10.741 ( -8.586 3.707 1.879) 9.539 10.903 ( 8.827 3.298 11.191) 14.630 11.434 ( -5.733 1.106 -17.526) 18.474 12.447 ( 4.865 5.352 2.149) 7.545 13.439 ( -4.808 -9.411 1.368) 10.657 13.817 ( 11.591 -7.807 0.999) 14.011 14.439 ( -1.233 6.719 -0.073) 6.832 15.612 ( -7.415 -17.944 12.627) 23.160 17.026 ( 0.322 0.707 -12.178) 12.203 17.534 ( -23.273 18.059 23.231) 37.516 17.824 ( 20.346 6.780 -17.392) 27.611 18.721 ( -0.492 20.273 -11.947) 23.536 20.451 ( 0.654 7.250 -1.721) 7.480 21.784 ( -1.102 -11.718 2.625) 12.059 ======================= Grid point 520 (257/294) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( 1.248 3.133 -6.946) 7.721 3.434 ( 6.673 9.591 -2.666) 11.984 3.785 ( 1.241 1.362 3.030) 3.546 3.845 ( -0.924 1.478 7.185) 7.394 4.127 ( -3.714 2.076 -3.721) 5.653 5.146 ( -0.308 -10.384 7.463) 12.792 5.438 ( -2.767 -13.146 -4.435) 14.148 6.264 ( 1.519 -0.455 -5.557) 5.779 6.412 ( -10.175 1.497 13.192) 16.727 7.181 ( 9.419 5.656 1.512) 11.090 7.931 ( -4.729 0.547 -5.259) 7.093 8.305 ( 10.188 11.955 1.927) 15.825 8.714 ( 6.843 5.510 11.095) 14.153 9.278 ( -5.118 -0.072 -3.890) 6.429 9.676 ( -5.680 -6.613 -0.002) 8.717 10.408 ( 11.991 -13.747 -10.176) 20.888 10.593 ( -8.754 5.264 -5.182) 11.454 11.108 ( -2.773 -5.586 7.659) 9.877 11.266 ( 1.215 5.731 -8.815) 10.584 12.503 ( 0.106 -5.267 0.577) 5.299 13.323 ( -2.457 -5.881 1.678) 6.591 13.912 ( 9.275 -8.699 -1.838) 12.848 14.405 ( -10.663 8.987 -5.719) 15.072 15.418 ( 1.046 -24.060 11.535) 26.703 16.994 ( -2.314 10.171 -8.198) 13.267 17.394 ( -26.583 13.395 21.585) 36.769 18.166 ( 24.776 3.811 -14.242) 28.831 18.929 ( 7.091 22.237 -6.578) 24.249 20.531 ( 2.072 7.288 -1.743) 7.775 21.664 ( -2.739 -11.409 4.163) 12.450 ======================= Grid point 521 (258/294) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 10.483 5.120 -3.853) 12.286 3.473 ( -4.056 2.660 -5.513) 7.343 3.822 ( 0.890 0.965 -1.288) 1.839 3.917 ( 7.651 1.082 -3.350) 8.422 4.097 ( -7.103 4.111 9.951) 12.898 5.027 ( -8.365 -7.265 5.294) 12.279 5.242 ( -1.780 -15.445 -2.797) 15.796 6.197 ( -3.580 -5.001 -3.530) 7.092 6.349 ( -2.780 -2.916 5.852) 7.105 7.440 ( 9.817 14.453 1.445) 17.532 7.881 ( 3.267 -1.534 -7.027) 7.900 8.635 ( 11.344 15.904 1.066) 19.564 8.959 ( 8.222 5.310 9.498) 13.639 9.176 ( -6.714 3.837 -0.922) 7.788 9.522 ( -4.566 -7.786 1.117) 9.095 10.333 ( -5.034 -2.363 -7.240) 9.129 10.531 ( 5.531 -5.165 -10.305) 12.785 10.874 ( -9.760 -9.580 -3.372) 14.086 11.404 ( 3.831 4.512 3.751) 7.007 12.390 ( -4.557 -9.809 1.828) 10.969 13.237 ( -3.205 -4.707 1.516) 5.893 13.920 ( 2.648 -6.353 -5.652) 8.906 14.215 ( -12.003 2.227 -6.385) 13.777 15.325 ( 7.409 -26.244 9.097) 28.747 16.967 ( -14.767 18.885 -8.470) 25.425 17.286 ( -10.189 5.649 21.447) 24.407 18.519 ( 21.856 2.450 -5.081) 22.572 19.255 ( 9.931 23.107 -7.069) 26.126 20.639 ( 4.253 7.052 -1.837) 8.438 21.523 ( -5.435 -10.301 4.984) 12.669 ======================= Grid point 522 (259/294) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( 1.427 -0.136 -3.199) 3.505 3.409 ( 6.299 1.323 -2.254) 6.819 3.825 ( 0.994 0.011 -5.785) 5.869 3.999 ( -3.751 8.357 1.947) 9.365 4.129 ( 5.065 -0.391 4.112) 6.535 4.834 ( -13.439 -4.295 7.509) 15.983 5.054 ( -0.946 -11.977 -3.189) 12.431 6.047 ( -5.062 -5.771 -1.136) 7.760 6.325 ( 1.282 -4.724 -0.153) 4.898 7.727 ( 8.399 4.484 0.407) 9.530 7.946 ( 7.528 10.231 -5.421) 13.811 8.928 ( 3.403 15.219 -0.774) 15.614 9.107 ( -0.643 0.802 -0.926) 1.384 9.193 ( 3.308 3.753 7.675) 9.162 9.447 ( 3.686 -2.601 3.741) 5.860 10.128 ( -15.838 4.467 -6.219) 17.591 10.509 ( 8.463 -10.849 -10.223) 17.141 10.646 ( -4.099 -9.765 -1.378) 10.679 11.481 ( 1.790 -0.294 -0.074) 1.816 12.230 ( -6.753 -6.477 4.509) 10.387 13.161 ( -2.328 -3.461 2.830) 5.040 13.815 ( -5.338 0.385 -8.144) 9.745 14.047 ( -1.984 -7.495 -1.892) 7.981 15.223 ( 5.498 -27.755 5.014) 28.735 16.811 ( -18.630 16.824 -2.035) 25.185 17.360 ( -1.447 3.544 11.910) 12.510 18.878 ( 19.251 2.808 3.962) 19.854 19.558 ( 6.940 19.950 -9.840) 23.302 20.789 ( 6.957 8.339 -2.799) 11.215 21.345 ( -8.549 -9.393 5.259) 13.746 ======================= Grid point 530 (260/294) ======================= q-point: ( 0.33 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -8.047 11.667 11.270) 18.107 3.481 ( -3.648 -4.951 3.348) 7.002 3.579 ( -1.022 7.051 5.774) 9.171 3.781 ( 3.484 -3.510 1.357) 5.128 4.495 ( 0.796 1.187 -12.591) 12.671 5.262 ( 11.210 -13.227 5.670) 18.242 5.387 ( 5.114 -0.158 -5.095) 7.220 6.193 ( 0.089 7.032 -2.434) 7.442 6.609 ( -2.810 -12.374 3.611) 13.192 6.957 ( -14.927 11.163 11.197) 21.744 7.751 ( -1.606 -6.010 4.342) 7.586 8.252 ( -6.765 14.493 5.037) 16.769 8.935 ( 9.011 8.508 -0.601) 12.408 9.439 ( -7.932 -2.033 -11.976) 14.508 9.721 ( 5.375 -9.965 -0.929) 11.360 9.982 ( 14.852 6.675 10.394) 19.318 10.473 ( -12.523 -11.578 -0.544) 17.063 10.887 ( 5.689 -5.871 2.729) 8.619 11.651 ( -2.735 0.642 -9.277) 9.693 12.533 ( -3.312 -1.695 -2.781) 4.645 13.250 ( 7.323 -3.386 4.371) 9.176 13.723 ( 8.619 -1.731 7.424) 11.507 14.358 ( -8.176 -8.839 -1.794) 12.173 15.577 ( 20.904 -12.864 6.101) 25.292 16.734 ( -8.013 5.333 1.866) 9.805 17.475 ( 8.545 21.854 19.253) 30.353 18.227 ( -15.080 -2.530 -19.057) 24.433 19.083 ( -12.649 15.960 -14.218) 24.837 20.458 ( -3.716 3.725 1.739) 5.542 21.861 ( 1.862 -5.746 -5.810) 8.381 ======================= Grid point 531 (261/294) ======================= q-point: ( 0.42 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 2.418 19.229 10.495) 22.040 3.360 ( -6.441 -4.832 -0.581) 8.073 3.685 ( 0.510 6.600 8.828) 11.034 3.805 ( 1.200 -1.841 2.322) 3.197 4.386 ( -2.931 -1.864 -15.870) 16.246 5.222 ( 0.909 -14.185 2.744) 14.476 5.472 ( 6.121 -3.173 -1.906) 7.153 6.261 ( 1.828 -0.493 -3.851) 4.291 6.514 ( 6.791 -6.898 2.445) 9.984 6.923 ( -14.255 12.669 16.264) 25.064 7.788 ( 3.981 2.486 5.035) 6.883 8.312 ( -6.185 14.153 4.401) 16.060 9.089 ( -13.882 1.215 -11.480) 18.055 9.187 ( 6.536 -0.666 -2.522) 7.037 9.731 ( 5.977 -7.788 0.329) 9.823 10.200 ( -4.975 -10.204 -1.937) 11.517 10.391 ( 15.376 7.029 14.135) 22.036 10.929 ( 3.107 -5.610 1.813) 6.665 11.548 ( -2.735 0.243 -10.212) 10.575 12.455 ( -3.738 0.439 1.145) 3.934 13.361 ( 8.518 -5.274 1.131) 10.082 13.752 ( -5.554 -7.868 5.343) 11.014 14.268 ( 6.702 -2.579 1.068) 7.260 15.802 ( 8.736 -8.550 11.115) 16.521 16.691 ( 4.091 -0.061 -8.573) 9.499 17.646 ( -5.424 -2.125 -12.672) 13.946 18.083 ( -7.498 24.218 13.912) 28.918 18.946 ( -12.013 16.675 -16.069) 26.088 20.473 ( -1.921 6.604 1.144) 6.972 21.780 ( 1.121 -10.153 -2.692) 10.564 ======================= Grid point 532 (262/294) ======================= q-point: ( 0.50 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( 2.991 16.500 -1.003) 16.799 3.198 ( -4.026 -1.528 3.411) 5.494 3.805 ( -0.683 -0.105 6.602) 6.638 3.834 ( 2.178 4.321 5.663) 7.449 4.213 ( -3.208 -0.482 -14.932) 15.280 5.113 ( 0.989 -14.700 4.034) 15.276 5.473 ( 1.974 -9.250 -1.733) 9.616 6.203 ( 0.423 -4.004 -4.981) 6.405 6.695 ( 12.028 -1.328 2.827) 12.427 6.923 ( -11.917 13.767 15.567) 23.956 7.964 ( 7.427 8.199 3.785) 11.692 8.322 ( -9.987 7.582 -2.197) 12.730 8.748 ( -13.159 0.369 0.253) 13.167 9.299 ( 4.928 -0.216 -3.834) 6.248 9.767 ( 3.999 -5.245 1.383) 6.739 10.043 ( 1.601 -10.134 -7.566) 12.748 10.795 ( 13.316 5.211 15.588) 21.153 10.883 ( -1.908 -5.087 0.451) 5.451 11.432 ( -4.672 1.418 -13.486) 14.342 12.450 ( 0.812 -1.361 4.755) 5.012 13.393 ( 1.695 -7.582 -2.589) 8.189 13.628 ( 0.895 -7.427 3.806) 8.393 14.426 ( 8.435 1.873 2.321) 8.947 15.735 ( -13.273 -11.196 10.717) 20.405 16.818 ( 17.531 -0.008 -11.215) 20.812 17.476 ( 4.340 -0.354 -20.781) 21.232 18.267 ( -18.585 23.997 24.064) 38.735 18.849 ( -4.152 16.676 -15.889) 23.405 20.521 ( -1.199 7.753 0.041) 7.845 21.689 ( 1.118 -11.459 1.566) 11.620 ======================= Grid point 533 (263/294) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( -5.130 2.629 -5.767) 8.154 3.413 ( 6.618 10.094 0.835) 12.099 3.789 ( -1.356 -2.245 0.187) 2.629 3.870 ( -1.137 -2.887 -1.965) 3.673 4.199 ( 1.096 8.086 2.113) 8.429 5.052 ( 3.984 -11.952 5.487) 13.741 5.330 ( -3.286 -14.610 -3.394) 15.355 6.169 ( 1.743 -2.680 -3.064) 4.428 6.739 ( -10.270 0.511 6.475) 12.151 7.073 ( 8.104 10.585 6.313) 14.750 8.065 ( -14.275 1.013 -5.672) 15.394 8.241 ( 10.987 9.487 0.434) 14.522 8.753 ( 1.392 7.607 7.128) 10.517 9.318 ( 0.031 0.329 -0.607) 0.691 9.712 ( -5.369 -5.322 0.517) 7.577 9.998 ( 11.403 -11.606 -10.099) 19.150 10.749 ( -6.533 -1.408 -2.306) 7.070 11.136 ( 6.818 -0.295 17.547) 18.828 11.254 ( -5.722 3.924 -15.843) 17.296 12.459 ( 0.376 -6.858 4.402) 8.158 13.303 ( -1.657 -5.192 -1.432) 5.635 13.659 ( 8.386 -8.490 -0.900) 11.967 14.553 ( 1.273 5.009 -1.264) 5.320 15.379 ( -15.563 -17.628 5.188) 24.081 17.028 ( 6.076 8.946 -3.017) 11.228 17.598 ( 26.002 -2.029 -19.725) 32.700 18.155 ( -29.391 16.063 14.754) 36.600 18.991 ( 5.730 19.822 -4.444) 21.106 20.577 ( -0.365 7.545 -1.239) 7.655 21.620 ( 0.008 -10.039 5.911) 11.650 ======================= Grid point 534 (264/294) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 3.765 5.917 -3.903) 8.026 3.498 ( -1.813 -0.597 -4.968) 5.322 3.795 ( 3.197 3.349 -2.629) 5.324 3.819 ( 2.340 -1.701 -3.093) 4.235 4.276 ( -3.879 3.233 6.867) 8.524 5.044 ( 3.823 -16.601 -1.315) 17.086 5.116 ( -4.747 -5.188 3.639) 7.918 6.144 ( -0.026 -4.695 -0.362) 4.709 6.534 ( -14.452 -2.905 3.762) 15.213 7.405 ( 13.339 15.260 2.865) 20.469 7.838 ( -7.249 -1.795 -7.091) 10.299 8.550 ( 13.720 9.695 0.034) 16.800 8.919 ( 5.613 5.334 5.373) 9.425 9.332 ( -2.402 5.843 3.988) 7.471 9.541 ( -6.676 -7.597 -1.658) 10.249 10.023 ( 11.507 -12.097 -9.130) 19.029 10.622 ( -6.552 1.279 -3.647) 7.607 10.971 ( -13.569 -0.644 -6.830) 15.205 11.389 ( 5.514 1.094 7.812) 9.625 12.390 ( -2.649 -7.531 4.600) 9.214 13.227 ( -1.421 -4.453 -1.146) 4.813 13.695 ( 7.885 -9.677 -4.056) 13.125 14.485 ( -14.724 7.089 -6.663) 17.648 15.063 ( -0.766 -23.188 4.188) 23.575 17.147 ( -0.355 12.133 -6.358) 13.702 17.818 ( -18.129 8.863 7.196) 21.424 18.050 ( 22.664 0.091 -3.308) 22.905 19.287 ( 7.939 19.813 -0.877) 21.362 20.641 ( 1.500 6.738 -2.592) 7.374 21.561 ( -3.166 -7.283 9.159) 12.122 ======================= Grid point 536 (265/294) ======================= q-point: (-0.25 -0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 10.666 6.180 -0.631) 12.343 3.363 ( -4.537 -5.629 -6.578) 9.775 3.753 ( 0.381 -4.118 -5.399) 6.801 3.988 ( 8.813 7.379 -1.634) 11.610 4.219 ( -6.902 -0.055 3.913) 7.934 4.889 ( 2.346 -14.143 -4.872) 15.142 5.072 ( -8.746 0.799 10.138) 13.413 6.064 ( -3.440 -5.883 0.715) 6.853 6.335 ( -6.908 -2.232 0.652) 7.289 7.684 ( -2.503 -1.437 -3.945) 4.888 7.833 ( 16.786 14.834 -0.855) 22.418 8.835 ( 12.462 3.125 -0.401) 12.855 9.098 ( 6.914 4.198 4.810) 9.411 9.312 ( -8.723 -3.471 -2.224) 9.648 9.429 ( 0.428 5.032 2.977) 5.862 10.035 ( 10.023 -11.398 -7.097) 16.755 10.512 ( -6.323 2.913 -4.284) 8.174 10.701 ( -14.928 0.035 -2.910) 15.209 11.453 ( 0.107 -3.457 2.582) 4.316 12.320 ( -4.112 -2.017 7.099) 8.448 13.161 ( -0.991 -4.014 -0.014) 4.135 13.680 ( 5.140 -9.837 -5.735) 12.493 14.203 ( -17.200 3.339 -5.899) 18.487 14.916 ( 4.875 -22.438 0.640) 22.970 17.147 ( -7.096 11.570 -12.394) 18.381 17.621 ( -17.050 4.341 15.975) 23.764 18.504 ( 28.390 1.062 -0.849) 28.422 19.581 ( 6.759 16.255 -1.651) 17.681 20.734 ( 5.086 6.613 -4.199) 9.340 21.476 ( -7.990 -4.285 10.687) 14.014 ======================= Grid point 543 (266/294) ======================= q-point: ( 0.33 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( -8.917 9.713 6.334) 14.628 3.448 ( 2.087 -6.941 0.693) 7.281 3.729 ( 1.924 -1.885 4.902) 5.593 3.735 ( -2.497 10.210 5.224) 11.737 4.401 ( 0.771 -4.609 -6.547) 8.043 4.944 ( 18.090 -8.389 6.634) 21.015 5.263 ( 1.382 -1.083 -9.300) 9.464 6.176 ( 2.373 -2.452 -3.839) 5.136 6.553 ( -3.174 -13.522 1.840) 14.011 7.399 ( -12.023 19.463 3.308) 23.115 7.741 ( -3.538 -8.086 3.502) 9.496 8.531 ( -3.171 16.703 2.417) 17.172 8.946 ( -0.692 8.437 1.637) 8.622 9.446 ( -2.150 0.561 -6.491) 6.861 9.528 ( 5.514 -11.774 -0.889) 13.032 9.866 ( 12.865 5.477 7.758) 15.990 10.572 ( -5.723 -6.511 1.350) 8.773 10.827 ( -7.410 -7.877 6.439) 12.586 11.589 ( 1.726 -2.101 -11.455) 11.773 12.473 ( 2.507 -3.858 -4.763) 6.622 13.180 ( 3.143 -1.422 3.999) 5.282 13.591 ( 10.995 0.211 7.047) 13.061 14.422 ( -11.367 -11.261 0.676) 16.015 15.091 ( 22.874 -13.395 1.516) 26.551 16.987 ( -10.500 2.744 8.884) 14.025 17.647 ( 8.354 21.184 18.193) 29.147 18.285 ( -9.037 -2.422 -19.917) 22.005 19.360 ( -12.327 13.656 -8.430) 20.236 20.580 ( -4.695 3.408 3.916) 7.000 21.735 ( 1.508 -4.783 -9.656) 10.881 ======================= Grid point 544 (267/294) ======================= q-point: ( 0.42 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( -0.600 16.277 7.219) 17.816 3.400 ( -2.487 -5.004 2.651) 6.185 3.773 ( 1.258 0.791 3.784) 4.065 3.822 ( -1.448 7.206 5.875) 9.409 4.298 ( -0.992 -5.762 -10.633) 12.135 5.085 ( 2.621 -9.181 0.466) 9.559 5.245 ( 10.361 -8.862 -4.525) 14.366 6.180 ( 3.098 -4.601 -1.701) 5.802 6.397 ( 0.202 -8.416 0.571) 8.438 7.399 ( -14.242 19.615 6.189) 25.017 7.759 ( 4.914 0.714 5.949) 7.749 8.617 ( -8.218 17.290 3.197) 19.409 9.062 ( 5.336 6.287 -2.089) 8.507 9.267 ( -11.506 -0.916 -10.241) 15.431 9.544 ( 7.059 -7.357 -1.183) 10.265 10.183 ( 7.845 -1.550 8.510) 11.677 10.361 ( -4.785 -2.527 8.133) 9.768 10.798 ( 5.195 -8.606 3.746) 10.728 11.521 ( -0.656 -1.275 -7.463) 7.599 12.431 ( 1.685 -6.279 -2.808) 7.082 13.239 ( 3.895 -2.703 1.388) 4.940 13.781 ( 2.923 -2.853 8.633) 9.550 14.160 ( -2.221 -8.930 0.319) 9.208 15.417 ( 26.751 -8.423 -0.316) 28.047 16.824 ( -16.427 -0.141 5.561) 17.343 17.637 ( -8.926 -7.437 -14.765) 18.788 18.403 ( 5.950 26.231 7.670) 27.970 19.243 ( -14.020 15.424 -7.022) 21.995 20.591 ( -2.937 6.784 3.323) 8.105 21.633 ( 1.449 -9.910 -6.704) 12.052 ======================= Grid point 545 (268/294) ======================= q-point: ( 0.50 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( 3.264 14.793 4.684) 15.857 3.299 ( -8.009 -0.546 1.739) 8.214 3.814 ( 0.877 -0.628 2.043) 2.310 3.895 ( -1.330 2.084 5.429) 5.965 4.170 ( -0.547 1.276 -10.754) 10.843 4.965 ( 0.317 -13.693 -1.899) 13.828 5.293 ( 6.837 -11.918 -0.447) 13.747 6.138 ( 0.600 -5.863 -0.660) 5.930 6.467 ( 11.196 -2.709 1.418) 11.606 7.397 ( -13.982 19.483 7.636) 25.167 7.920 ( 7.381 4.169 4.191) 9.456 8.598 ( -13.717 10.583 -0.846) 17.346 8.989 ( -13.677 2.717 -3.051) 14.274 9.189 ( 5.533 3.826 -4.384) 8.029 9.599 ( 7.942 -4.512 -2.764) 9.543 10.021 ( -9.280 -10.694 3.332) 14.546 10.673 ( 17.048 3.834 14.452) 22.676 10.804 ( 3.317 -8.626 0.592) 9.261 11.457 ( -3.180 2.407 -6.421) 7.559 12.393 ( 3.273 -8.645 0.879) 9.285 13.259 ( 3.407 -4.787 -2.834) 6.524 13.683 ( -9.109 -5.963 6.585) 12.724 14.254 ( 12.737 -2.035 1.883) 13.035 15.735 ( 15.764 -8.752 2.952) 18.271 16.564 ( -6.525 -3.637 -5.954) 9.553 17.377 ( -4.543 -0.945 -17.033) 17.654 18.781 ( 3.114 23.910 10.695) 26.378 19.081 ( -19.344 14.749 -4.610) 24.759 20.636 ( -2.683 8.239 1.904) 8.872 21.543 ( 3.582 -11.498 -1.341) 12.118 ======================= Grid point 546 (269/294) ======================= q-point: ( 0.58 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( -9.952 3.358 1.269) 10.579 3.420 ( 3.569 9.379 -1.266) 10.114 3.793 ( -3.175 -4.364 -1.146) 5.517 3.828 ( -0.652 -3.040 -4.810) 5.727 4.256 ( 3.749 8.986 2.722) 10.110 4.864 ( 4.577 -13.999 -0.821) 14.751 5.230 ( -0.240 -11.147 0.447) 11.158 6.114 ( 1.558 -3.767 1.247) 4.263 6.643 ( 11.550 -4.341 0.172) 12.340 7.380 ( -14.266 16.727 7.408) 23.199 8.125 ( 10.737 3.817 -0.008) 11.396 8.330 ( -19.373 1.677 -4.078) 19.869 8.911 ( -5.992 11.032 2.498) 12.800 9.280 ( 4.476 1.736 0.413) 4.818 9.678 ( 7.949 -2.695 -4.433) 9.493 9.788 ( -7.079 -11.594 -0.943) 13.617 10.749 ( -0.501 -6.125 -1.771) 6.396 11.056 ( 14.502 1.482 15.089) 20.980 11.360 ( -8.353 5.175 -7.290) 12.235 12.381 ( 3.745 -9.918 3.756) 11.247 13.237 ( 2.371 -4.167 -4.895) 6.852 13.548 ( -3.778 -5.376 2.627) 7.076 14.443 ( 11.107 -2.655 -0.052) 11.420 15.594 ( -19.362 -11.641 2.069) 22.686 16.729 ( 30.925 0.415 -8.090) 31.968 17.251 ( -0.638 1.862 -14.331) 14.466 18.824 ( -24.579 11.834 -1.956) 27.350 19.094 ( 2.118 21.386 9.017) 23.306 20.673 ( -2.818 7.827 0.052) 8.319 21.526 ( 4.793 -9.344 5.266) 11.748 ======================= Grid point 548 (270/294) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( -5.722 8.606 0.727) 10.360 3.468 ( -0.652 -3.432 -5.334) 6.376 3.735 ( 3.666 0.576 -4.112) 5.539 3.775 ( -0.738 -1.449 -3.068) 3.472 4.376 ( -0.500 3.716 4.459) 5.826 4.786 ( 4.025 -16.585 -5.813) 18.030 5.159 ( -0.636 -1.874 6.020) 6.336 6.108 ( 0.605 -4.836 2.163) 5.332 6.680 ( -3.616 -4.806 0.233) 6.019 7.418 ( 0.490 12.517 4.601) 13.345 7.997 ( -15.329 0.604 -4.649) 16.030 8.380 ( 13.280 2.376 0.121) 13.492 8.965 ( -0.768 7.903 2.396) 8.294 9.392 ( 3.635 5.005 4.028) 7.381 9.556 ( -6.490 -10.686 -3.447) 12.969 9.743 ( 6.962 -3.293 -6.337) 9.973 10.658 ( -3.136 -3.625 -2.816) 5.559 11.202 ( -12.954 8.280 -6.360) 16.638 11.333 ( 8.475 -2.177 13.297) 15.917 12.367 ( 1.597 -6.835 5.209) 8.741 13.199 ( -0.355 -2.562 -3.470) 4.327 13.487 ( 3.276 -6.819 -2.927) 8.111 14.552 ( 6.887 -3.632 -3.727) 8.632 15.105 ( -24.011 -12.120 -0.850) 26.910 17.198 ( 1.326 2.083 -12.771) 13.007 17.294 ( 38.010 2.329 -6.141) 38.573 18.498 ( -26.748 8.257 5.084) 28.452 19.377 ( 3.926 18.675 5.491) 19.858 20.694 ( -2.027 6.596 -2.126) 7.221 21.570 ( 2.619 -5.488 10.596) 12.217 ======================= Grid point 549 (271/294) ======================= q-point: (-0.25 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 1.706 9.831 3.100) 10.448 3.323 ( -3.419 -8.070 -8.357) 12.110 3.685 ( -0.995 -5.015 -3.874) 6.414 3.873 ( 8.812 1.024 -2.631) 9.253 4.343 ( -6.584 0.162 0.533) 6.608 4.680 ( 4.969 -8.586 -5.547) 11.366 5.216 ( -0.504 2.100 8.731) 8.994 6.052 ( -1.622 -7.122 0.924) 7.362 6.500 ( -12.356 -0.966 1.887) 12.536 7.616 ( 6.573 -0.937 -3.144) 7.346 7.821 ( -2.401 7.747 2.013) 8.357 8.618 ( 14.763 -1.298 0.501) 14.829 9.054 ( 3.546 -0.481 4.557) 5.795 9.337 ( -5.566 -4.636 -7.505) 10.430 9.529 ( 0.923 9.667 1.556) 9.835 9.767 ( 6.080 -5.783 -5.321) 9.936 10.550 ( -4.048 -3.293 -1.842) 5.534 11.033 ( -15.827 12.064 -2.425) 20.048 11.437 ( 0.984 -5.617 8.006) 9.829 12.392 ( 0.585 0.638 7.453) 7.504 13.137 ( -1.638 -2.863 -1.962) 3.838 13.474 ( 5.462 -6.579 -5.754) 10.307 14.517 ( -13.605 3.696 -5.414) 15.101 14.650 ( -4.239 -20.230 -2.716) 20.847 17.157 ( 2.076 -0.603 -14.195) 14.359 17.837 ( 20.913 6.734 -11.705) 24.894 18.250 ( -10.393 2.560 19.039) 21.842 19.637 ( 4.604 15.014 3.295) 16.046 20.715 ( 0.585 5.353 -4.689) 7.140 21.614 ( -2.438 -1.542 13.107) 13.421 ======================= Grid point 641 (272/294) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 0.000 0.000 26.212) 26.212 2.017 ( 0.000 0.000 26.212) 26.212 3.930 ( -0.000 -0.000 -0.685) 0.685 4.183 ( -0.000 -0.000 -19.913) 19.913 4.183 ( 0.000 -0.000 -19.913) 19.913 4.689 ( 0.000 0.000 47.907) 47.907 6.162 ( -0.000 -0.000 -6.352) 6.352 6.208 ( -0.000 0.000 4.102) 4.102 6.208 ( 0.000 0.000 4.102) 4.102 7.731 ( 0.000 0.000 5.710) 5.710 7.731 ( 0.000 0.000 5.710) 5.710 7.742 ( -0.000 -0.000 -21.623) 21.623 9.002 ( -0.000 0.000 6.685) 6.685 9.002 ( 0.000 0.000 6.685) 6.685 10.164 ( -0.000 0.000 8.938) 8.938 10.164 ( 0.000 0.000 8.938) 8.938 10.991 ( -0.000 -0.000 -5.779) 5.779 11.281 ( -0.000 -0.000 -18.255) 18.255 11.281 ( 0.000 -0.000 -18.255) 18.255 11.369 ( -0.000 -0.000 -2.822) 2.822 13.919 ( -0.000 0.000 2.403) 2.403 13.919 ( 0.000 0.000 2.403) 2.403 14.380 ( 0.000 0.000 5.462) 5.462 16.196 ( 0.000 0.000 21.373) 21.373 16.196 ( 0.000 0.000 21.373) 21.373 17.738 ( -0.000 -0.000 -17.500) 17.500 17.738 ( -0.000 -0.000 -17.500) 17.500 17.775 ( 0.000 0.000 1.193) 1.193 20.278 ( -0.000 -0.000 -5.424) 5.424 22.120 ( 0.000 0.000 3.714) 3.714 ======================= Grid point 642 (273/294) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -3.091 8.123 24.454) 25.952 2.606 ( 29.860 10.521 21.035) 38.011 3.797 ( -9.896 -3.576 -10.182) 14.642 3.969 ( -0.206 -2.947 -8.028) 8.554 4.253 ( 7.953 3.777 -19.871) 21.734 4.960 ( 1.342 -0.538 38.030) 38.057 5.981 ( -10.427 -1.170 3.463) 11.049 6.188 ( 0.808 -9.180 2.475) 9.542 6.428 ( 7.728 10.987 -0.472) 13.441 7.271 ( -19.174 -14.825 -8.218) 25.592 7.773 ( -2.461 7.918 5.009) 9.687 7.863 ( 4.503 0.580 1.808) 4.887 8.962 ( 4.355 -16.656 5.479) 18.067 9.223 ( 4.041 17.191 -3.522) 18.008 10.102 ( -2.311 -8.655 9.751) 13.242 10.262 ( -5.440 5.136 5.957) 9.564 10.862 ( -8.357 -3.826 -8.285) 12.374 11.045 ( -7.970 12.309 -8.380) 16.890 11.262 ( 12.856 -8.265 -10.125) 18.334 11.769 ( 24.667 16.584 -12.844) 32.380 13.791 ( -7.056 -8.937 4.105) 12.104 13.972 ( -2.708 3.957 0.870) 4.874 14.384 ( -1.253 -1.242 4.023) 4.393 16.161 ( -8.897 3.321 20.032) 22.169 16.469 ( 9.022 -9.404 23.076) 26.502 17.322 ( -12.761 -8.592 -16.184) 22.329 17.883 ( 5.886 17.794 -15.810) 24.520 18.008 ( 21.272 1.655 -6.421) 22.281 20.271 ( 1.858 1.439 -4.293) 4.894 22.108 ( -2.516 -1.743 2.339) 3.852 ======================= Grid point 643 (274/294) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 2.465 11.852 19.746) 23.162 3.265 ( 20.850 9.515 16.209) 28.071 3.568 ( -5.575 -2.836 -8.934) 10.906 3.906 ( -1.230 -2.244 -3.218) 4.111 4.275 ( 7.168 -0.425 -18.482) 19.828 5.208 ( 7.698 1.552 18.450) 20.052 5.814 ( -13.879 -1.166 6.832) 15.513 6.084 ( -2.658 -10.652 1.996) 11.158 6.638 ( 6.899 6.543 1.470) 9.621 6.908 ( -9.523 -2.320 -0.682) 9.826 7.861 ( -0.671 8.035 6.721) 10.497 7.940 ( 3.338 1.052 0.829) 3.596 8.872 ( 1.396 -15.653 2.255) 15.876 9.361 ( 2.302 9.197 -8.557) 12.771 10.023 ( -1.150 -14.328 9.396) 17.173 10.139 ( -13.925 2.044 -1.085) 14.116 10.709 ( -8.784 12.064 -3.773) 15.393 11.040 ( -2.165 4.380 -1.776) 5.199 11.384 ( 13.721 -2.971 -9.385) 16.887 12.222 ( 18.586 15.182 -9.285) 25.732 13.583 ( -10.415 -9.128 4.832) 14.668 13.916 ( -6.231 -1.103 1.960) 6.624 14.396 ( 0.638 2.249 1.163) 2.611 16.185 ( -12.465 8.160 16.794) 22.450 16.511 ( 3.462 -22.237 10.610) 24.881 17.086 ( 2.967 -7.390 -1.504) 8.104 18.068 ( 5.286 20.596 -15.364) 26.233 18.358 ( 22.967 4.693 -10.821) 25.818 20.315 ( 3.356 2.907 -2.206) 4.957 22.034 ( -4.223 -3.346 -0.438) 5.405 ======================= Grid point 644 (275/294) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 5.358 11.573 14.630) 19.408 3.456 ( 1.636 -0.412 -9.251) 9.403 3.626 ( 2.568 4.069 17.387) 18.040 3.843 ( -3.124 -1.224 -0.441) 3.384 4.284 ( 9.286 -3.327 -15.588) 18.447 5.340 ( -1.442 -5.711 0.563) 5.917 5.567 ( -16.322 -2.429 2.048) 16.628 6.043 ( 5.930 -3.051 5.202) 8.458 6.754 ( 2.081 -2.685 6.098) 6.980 6.919 ( 2.959 12.537 0.213) 12.883 7.945 ( -5.416 10.727 5.227) 13.105 8.046 ( 9.872 -1.000 1.360) 10.015 8.778 ( 2.394 -9.346 -0.371) 9.654 9.395 ( 1.840 2.428 -8.543) 9.070 9.894 ( -6.474 -6.945 0.749) 9.524 9.940 ( -7.369 -6.069 6.406) 11.496 10.718 ( -6.766 16.456 -0.160) 17.794 10.999 ( -4.682 -0.588 3.427) 5.832 11.484 ( 9.126 -2.864 -13.448) 16.503 12.511 ( 6.843 7.193 -3.278) 10.456 13.367 ( -9.611 -5.792 4.805) 12.207 13.787 ( -6.511 -6.451 2.915) 9.618 14.459 ( 1.546 6.126 -0.514) 6.339 15.906 ( -25.336 -5.066 1.433) 25.878 16.607 ( 13.609 -1.002 9.824) 16.814 17.158 ( 11.680 -17.967 14.559) 25.907 18.243 ( 2.263 21.465 -14.526) 26.017 18.708 ( 21.360 6.503 -11.634) 25.177 20.410 ( 4.756 4.190 0.278) 6.344 21.905 ( -5.132 -4.442 -3.860) 7.809 ======================= Grid point 645 (276/294) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 5.694 10.985 9.026) 15.315 3.467 ( 4.485 -0.958 -5.053) 6.824 3.708 ( -3.635 0.958 9.953) 10.640 3.792 ( -2.338 -0.638 3.416) 4.189 4.328 ( 7.331 -1.138 -9.518) 12.068 5.106 ( -11.936 -13.911 0.833) 18.349 5.306 ( -11.728 -1.487 -2.027) 11.995 6.153 ( 2.938 0.200 -1.376) 3.251 6.759 ( -3.839 -0.599 4.265) 5.770 7.151 ( 12.066 9.625 -1.900) 15.551 7.970 ( -7.879 12.613 4.593) 15.565 8.242 ( 14.270 -3.366 0.441) 14.668 8.809 ( 7.156 -0.553 0.667) 7.208 9.379 ( 1.780 -1.081 -6.809) 7.120 9.737 ( -10.113 2.927 -2.158) 10.747 9.817 ( -2.800 -13.353 9.657) 16.716 10.722 ( -6.836 5.463 0.445) 8.762 11.011 ( -1.223 8.900 10.141) 13.548 11.459 ( 3.985 -5.245 -17.049) 18.277 12.525 ( -4.674 -1.789 -3.134) 5.905 13.243 ( -4.315 -2.942 4.997) 7.229 13.627 ( -6.176 -7.894 2.607) 10.356 14.537 ( 1.665 3.249 0.663) 3.711 15.443 ( -26.180 0.851 -1.219) 26.222 16.935 ( 15.061 5.140 7.290) 17.504 17.247 ( 13.061 -28.088 18.646) 36.155 18.376 ( -2.124 23.350 -11.148) 25.962 19.047 ( 19.728 7.087 -9.324) 22.943 20.547 ( 5.388 5.047 2.024) 7.655 21.742 ( -4.938 -4.920 -7.380) 10.151 ======================= Grid point 654 (277/294) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 15.119 12.379 22.005) 29.428 2.599 ( -13.003 19.013 18.229) 29.375 3.767 ( 2.180 -8.411 -13.597) 16.136 3.875 ( -2.751 -2.653 -2.577) 4.610 4.165 ( -0.404 10.894 -19.077) 21.972 5.159 ( -0.917 -2.918 29.827) 29.984 5.998 ( 3.073 -10.273 6.216) 12.394 6.227 ( -6.543 -1.959 5.766) 8.938 6.429 ( 4.541 12.078 -0.521) 12.913 7.204 ( -1.847 -19.917 -13.890) 24.353 7.786 ( 4.431 1.198 4.484) 6.417 7.900 ( -0.025 6.381 2.287) 6.778 8.914 ( -9.626 -10.867 5.334) 15.466 9.249 ( 6.736 10.392 -2.094) 12.560 10.095 ( -3.379 -10.993 7.961) 13.988 10.421 ( 3.376 8.532 9.543) 13.238 10.833 ( 2.429 -8.016 -9.324) 12.533 10.901 ( 6.553 -5.784 -7.074) 11.245 11.286 ( -7.573 12.438 -16.554) 22.048 11.663 ( 2.362 26.533 -5.537) 27.208 13.839 ( -6.054 -8.120 3.128) 10.600 13.960 ( 6.736 -0.758 0.378) 6.789 14.399 ( -0.557 -3.270 3.536) 4.848 16.194 ( 3.884 -16.144 20.330) 26.249 16.706 ( -9.164 14.263 23.546) 29.014 17.317 ( -4.709 -8.403 -19.582) 21.823 17.638 ( 10.636 5.312 -13.013) 17.627 18.018 ( -3.137 18.764 -7.062) 20.293 20.252 ( 0.246 3.193 -3.654) 4.859 22.113 ( -0.224 -4.834 2.261) 5.342 ======================= Grid point 655 (278/294) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -8.470 17.691 14.658) 24.486 3.023 ( 26.084 11.386 7.941) 29.548 3.603 ( -5.163 -1.611 -2.858) 6.117 3.855 ( 1.561 -2.842 -0.310) 3.257 4.142 ( 0.644 5.958 -17.635) 18.626 5.252 ( 0.396 -2.066 15.698) 15.838 5.931 ( -3.172 -12.332 2.841) 13.046 6.150 ( -7.827 -1.914 12.743) 15.077 6.583 ( 4.225 3.560 -3.344) 6.458 6.954 ( -1.887 -3.298 -5.404) 6.606 7.877 ( 2.401 1.920 0.920) 3.209 7.993 ( 1.395 7.506 1.575) 7.795 8.764 ( -0.952 -12.365 8.336) 14.943 9.346 ( 1.181 3.434 -6.587) 7.522 9.976 ( -2.974 -11.684 6.065) 13.496 10.398 ( -15.020 3.552 -1.011) 15.468 10.831 ( 3.686 2.322 1.362) 4.564 11.012 ( 16.757 -4.089 -10.080) 19.978 11.180 ( -7.640 10.047 -8.635) 15.293 12.065 ( 15.161 25.204 -7.290) 30.302 13.659 ( -6.801 -10.840 4.707) 13.635 14.000 ( -2.562 0.694 -1.972) 3.307 14.376 ( 1.098 -3.502 2.494) 4.437 16.235 ( 7.636 -20.218 18.350) 28.351 16.690 ( -20.696 7.317 12.262) 25.144 17.032 ( -4.985 -2.357 -6.147) 8.258 17.950 ( 22.181 11.338 -15.567) 29.375 18.159 ( 3.098 17.604 -5.216) 18.620 20.292 ( 2.164 4.921 -2.551) 5.951 22.041 ( -2.632 -7.229 1.149) 7.779 ======================= Grid point 656 (279/294) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( -0.230 13.275 9.543) 16.351 3.346 ( 5.456 2.457 -12.697) 14.036 3.697 ( 7.718 6.208 18.404) 20.900 3.845 ( -0.273 -2.016 1.376) 2.456 4.082 ( 0.485 0.328 -14.411) 14.423 5.327 ( 0.307 -2.403 4.477) 5.091 5.698 ( -8.321 -11.249 -3.945) 14.537 6.089 ( -6.028 -0.339 12.709) 14.070 6.636 ( 6.877 -6.580 1.899) 9.706 6.999 ( 1.700 11.592 -4.414) 12.520 7.924 ( 3.977 -0.447 -1.307) 4.210 8.116 ( 1.717 10.103 2.919) 10.655 8.719 ( -1.143 -3.529 5.665) 6.772 9.320 ( 1.214 -3.034 -5.671) 6.545 9.853 ( -2.432 -11.916 5.381) 13.299 10.160 ( -14.453 3.962 -2.534) 15.199 10.922 ( 2.413 4.166 0.781) 4.877 11.058 ( -3.837 2.445 -10.208) 11.176 11.208 ( 8.726 -1.613 -2.152) 9.131 12.428 ( 9.739 12.680 -5.596) 16.940 13.477 ( -7.381 -8.952 5.167) 12.701 13.877 ( -9.004 -0.424 -3.038) 9.513 14.414 ( 5.067 -2.384 0.018) 5.600 16.189 ( -5.783 -16.051 2.188) 17.201 16.497 ( -5.677 2.296 10.721) 12.346 17.027 ( 0.900 -2.336 12.589) 12.835 18.330 ( 14.399 23.444 -19.234) 33.569 18.375 ( 11.283 8.656 -0.107) 14.221 20.384 ( 4.000 5.977 -0.988) 7.260 21.908 ( -4.524 -8.398 -0.726) 9.566 ======================= Grid point 657 (280/294) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( 3.815 13.212 8.351) 16.089 3.339 ( 3.040 0.439 -9.357) 9.848 3.829 ( -1.021 -0.737 1.433) 1.908 3.882 ( -6.407 2.596 11.242) 13.197 4.081 ( 12.391 -0.644 -8.432) 15.002 5.159 ( -10.941 -11.581 -0.886) 15.957 5.464 ( -9.687 -6.811 -0.796) 11.868 6.125 ( 0.853 2.029 3.768) 4.364 6.686 ( 5.714 -11.062 3.481) 12.928 7.137 ( 4.738 15.827 -7.110) 17.986 8.016 ( 9.332 -1.882 -2.003) 9.728 8.251 ( -3.653 15.155 4.396) 16.197 8.746 ( 2.006 5.396 1.969) 6.084 9.284 ( 2.598 -5.299 -2.853) 6.555 9.742 ( -1.292 -10.853 4.845) 11.955 9.977 ( -12.128 3.929 -0.967) 12.785 10.888 ( -9.256 0.960 -1.666) 9.454 11.043 ( 9.585 -5.695 -4.682) 12.092 11.277 ( 1.291 3.267 -2.114) 4.100 12.527 ( -0.415 -1.755 -3.782) 4.190 13.322 ( -6.031 -5.853 5.051) 9.805 13.699 ( -8.798 -0.918 -3.644) 9.567 14.461 ( 4.936 -5.750 -1.306) 7.690 15.874 ( -20.336 3.565 -3.524) 20.945 16.616 ( 14.459 -15.770 11.494) 24.287 17.123 ( 1.948 -1.453 16.852) 17.026 18.584 ( 0.940 24.330 -1.755) 24.412 18.731 ( 21.174 10.534 -12.426) 26.715 20.520 ( 5.377 6.422 0.207) 8.378 21.730 ( -5.696 -8.744 -3.003) 10.859 ======================= Grid point 667 (281/294) ======================= q-point: ( 0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 5.081 10.136 20.163) 23.132 3.153 ( -18.574 12.835 6.904) 23.610 3.595 ( 4.307 -0.994 -1.649) 4.718 3.877 ( -1.587 -2.978 -2.004) 3.925 4.182 ( -3.182 10.183 -20.044) 22.706 5.287 ( -1.584 0.209 13.516) 13.611 5.854 ( 6.121 -14.573 7.943) 17.690 6.262 ( 5.094 1.614 3.273) 6.267 6.562 ( -6.466 7.954 6.442) 12.107 6.906 ( 6.221 -13.269 -9.397) 17.409 7.803 ( -0.736 -0.934 7.322) 7.417 7.970 ( -0.599 6.806 1.344) 6.963 9.006 ( -8.715 -8.504 -5.205) 13.243 9.212 ( 5.019 6.938 0.359) 8.571 10.074 ( 0.055 -11.796 4.920) 12.781 10.392 ( 12.936 6.251 7.432) 16.176 10.525 ( 6.014 -10.036 -4.927) 12.695 10.956 ( -6.693 0.225 -0.910) 6.758 11.361 ( -3.472 9.499 -12.827) 16.335 11.998 ( -13.602 20.642 -4.226) 25.079 13.758 ( 11.403 -7.473 0.295) 13.637 13.879 ( -3.730 -5.598 3.749) 7.701 14.383 ( 1.496 -2.195 1.756) 3.184 16.140 ( -1.055 -14.782 18.050) 23.354 16.909 ( 17.625 2.957 -5.435) 18.679 17.249 ( -4.835 16.820 13.234) 21.942 17.618 ( -13.272 -2.052 -18.625) 22.962 18.257 ( -9.803 18.015 -9.352) 22.541 20.282 ( -1.714 4.255 -1.965) 4.991 22.052 ( 2.172 -6.438 0.662) 6.827 ======================= Grid point 668 (282/294) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 14.588 12.154 4.698) 19.560 3.013 ( -11.284 10.108 4.623) 15.839 3.669 ( 0.215 4.104 8.869) 9.775 3.828 ( -0.491 -0.186 -0.432) 0.680 4.105 ( -1.770 6.024 -18.371) 19.415 5.315 ( -1.319 -1.720 8.128) 8.412 5.819 ( 2.197 -16.163 4.601) 16.948 6.299 ( -2.474 -2.447 4.370) 5.586 6.584 ( -4.618 1.126 4.804) 6.758 6.864 ( 6.680 1.448 -6.205) 9.232 7.879 ( 2.532 3.248 3.667) 5.514 8.039 ( -0.242 6.742 -1.225) 6.856 8.754 ( -5.274 -11.007 6.129) 13.658 9.321 ( 1.314 2.643 -4.249) 5.173 9.966 ( -3.766 -10.004 4.692) 11.673 10.499 ( 14.915 -8.685 -13.813) 22.106 10.686 ( -9.621 3.504 4.907) 11.354 10.872 ( 5.968 4.650 6.199) 9.781 11.289 ( -4.509 5.578 -12.535) 14.442 12.139 ( 3.210 25.356 -2.062) 25.642 13.664 ( -4.894 -12.462 1.103) 13.434 13.931 ( 7.953 -3.316 0.370) 8.625 14.382 ( -2.291 -0.522 1.794) 2.956 16.072 ( 0.201 -20.452 16.904) 26.534 16.936 ( -4.825 -1.730 -17.348) 18.090 17.338 ( -17.058 17.023 22.879) 33.229 17.591 ( 18.715 7.264 -16.298) 25.858 18.290 ( -1.140 18.875 -6.849) 20.112 20.309 ( 0.336 6.119 -1.864) 6.405 21.998 ( -0.441 -9.123 1.618) 9.276 ======================= Grid point 669 (283/294) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 0.134 5.193 -10.319) 11.552 3.250 ( 7.292 9.706 3.635) 12.673 3.762 ( -0.644 4.167 6.649) 7.873 3.868 ( 0.995 1.013 8.145) 8.268 4.036 ( 0.030 4.042 -10.693) 11.431 5.332 ( 0.277 -2.519 5.494) 6.051 5.656 ( -4.736 -14.676 -1.794) 15.525 6.240 ( -2.382 -1.644 1.557) 3.287 6.531 ( -2.768 -4.693 7.607) 9.357 7.014 ( 5.632 10.535 -6.207) 13.462 7.900 ( -2.840 0.372 -2.270) 3.655 8.126 ( 6.188 7.531 -1.000) 9.798 8.749 ( 3.509 -2.077 12.250) 12.911 9.273 ( -3.214 -1.558 -4.553) 5.787 9.831 ( -4.041 -9.425 3.269) 10.763 10.445 ( -16.550 5.056 -3.223) 17.603 10.595 ( 16.359 -11.657 -13.822) 24.384 11.109 ( 1.656 7.411 -2.844) 8.109 11.205 ( -0.320 0.264 5.631) 5.647 12.409 ( 5.006 14.971 -3.845) 16.247 13.489 ( -3.537 -10.890 2.074) 11.636 13.975 ( -0.463 -0.281 -4.135) 4.171 14.330 ( -2.153 -2.279 0.683) 3.209 15.971 ( 4.051 -25.366 12.008) 28.356 16.742 ( -9.108 7.127 -11.778) 16.507 17.309 ( -17.246 10.627 22.674) 30.406 17.961 ( 25.559 9.109 -15.608) 31.303 18.482 ( 3.907 20.980 -1.954) 21.430 20.383 ( 2.385 6.855 -1.586) 7.429 21.889 ( -3.096 -9.915 2.131) 10.603 ======================= Grid point 670 (284/294) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 10.801 6.562 -6.401) 14.166 3.352 ( -3.291 6.427 -2.205) 7.550 3.811 ( 2.905 -0.228 -2.363) 3.752 3.891 ( 2.585 -0.830 -6.985) 7.494 4.087 ( -3.412 5.107 15.410) 16.589 5.231 ( -9.527 -10.507 1.885) 14.307 5.467 ( -1.945 -9.131 -1.753) 9.499 6.209 ( -3.949 1.080 2.916) 5.026 6.503 ( 3.165 -9.206 2.888) 10.155 7.155 ( 4.734 13.903 -8.352) 16.896 7.873 ( 3.733 -1.355 -4.462) 5.973 8.349 ( 8.138 13.221 0.188) 15.526 8.887 ( -0.869 8.541 11.107) 14.038 9.179 ( -0.370 -5.021 -2.116) 5.461 9.701 ( -2.931 -9.714 3.017) 10.585 10.224 ( -13.979 5.598 -3.684) 15.503 10.658 ( 14.845 -12.057 -14.509) 24.005 10.990 ( -6.822 -4.171 -5.121) 9.496 11.352 ( 1.426 5.230 10.288) 11.629 12.496 ( -0.302 0.193 -2.985) 3.006 13.358 ( -3.334 -7.773 1.754) 8.638 13.858 ( -10.334 3.751 -6.683) 12.866 14.293 ( 3.512 -8.254 -1.415) 9.081 15.876 ( 5.488 -22.898 4.215) 23.920 16.624 ( -10.273 9.671 -2.010) 14.252 17.303 ( -8.444 5.806 21.268) 23.608 18.377 ( 24.586 9.021 -12.725) 29.116 18.768 ( 4.665 23.789 1.162) 24.270 20.496 ( 4.471 6.752 -1.342) 8.209 21.735 ( -5.834 -9.503 2.010) 11.331 ======================= Grid point 680 (285/294) ======================= q-point: ( 0.42 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -2.530 8.636 16.614) 18.895 3.374 ( -5.320 1.217 -8.072) 9.744 3.670 ( -2.846 2.552 13.841) 14.359 3.853 ( 0.902 -2.017 1.040) 2.442 4.216 ( -4.271 8.486 -18.644) 20.925 5.382 ( -1.370 1.502 0.179) 2.041 5.611 ( 9.222 -15.138 3.745) 18.118 6.196 ( 6.630 4.126 3.183) 8.432 6.684 ( 0.192 -9.997 -5.707) 11.513 6.839 ( -8.655 7.947 11.829) 16.673 7.837 ( -1.307 -4.247 5.026) 6.708 8.093 ( -3.315 10.611 2.456) 11.385 8.952 ( 5.213 4.463 -9.293) 11.552 9.237 ( -5.038 -3.565 -1.357) 6.319 9.894 ( 7.078 -9.905 -2.549) 12.438 10.324 ( 14.840 8.718 14.058) 22.223 10.411 ( -8.026 -13.013 0.524) 15.298 11.017 ( -0.403 -1.874 3.086) 3.633 11.426 ( -3.772 5.784 -12.965) 14.689 12.363 ( -12.245 9.730 0.601) 15.652 13.495 ( 10.799 -7.656 1.399) 13.311 13.897 ( 0.189 -3.289 4.580) 5.642 14.336 ( 0.050 -4.283 -0.196) 4.288 16.045 ( 12.862 -12.360 5.609) 18.699 16.641 ( 2.538 1.594 -2.136) 3.681 17.571 ( -0.598 14.845 11.776) 18.958 17.762 ( -14.903 4.207 -12.423) 19.853 18.555 ( -13.739 16.010 -9.465) 23.124 20.366 ( -3.725 4.968 0.319) 6.217 21.929 ( 4.344 -7.079 -2.203) 8.592 ======================= Grid point 681 (286/294) ======================= q-point: ( 0.50 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 4.198 12.693 6.209) 14.741 3.222 ( -8.027 1.237 -1.104) 8.196 3.770 ( 1.978 6.363 9.266) 11.413 3.853 ( -1.187 -0.789 4.843) 5.049 4.088 ( -4.186 3.939 -18.951) 19.803 5.352 ( -1.157 -3.712 1.619) 4.212 5.628 ( 5.905 -12.611 3.488) 14.355 6.251 ( 0.185 -4.921 -5.125) 7.108 6.694 ( 9.337 0.162 -2.729) 9.729 6.831 ( -9.218 7.601 12.613) 17.373 7.880 ( 3.534 2.701 3.800) 5.850 8.147 ( -4.168 9.323 -0.128) 10.213 8.798 ( -9.132 -6.111 -3.546) 11.546 9.278 ( 5.152 1.189 -0.942) 5.370 9.908 ( 5.010 -8.911 0.720) 10.248 10.183 ( -0.815 -9.791 -6.448) 11.752 10.765 ( 14.248 7.889 16.186) 22.962 10.948 ( -8.010 -1.263 0.505) 8.125 11.324 ( -4.298 2.745 -11.631) 12.700 12.352 ( -4.067 14.476 2.962) 15.325 13.553 ( 4.819 -10.501 -3.034) 11.946 13.809 ( -1.167 -8.083 4.372) 9.264 14.397 ( 4.156 1.864 1.740) 4.876 16.052 ( -4.916 -14.486 13.176) 20.189 16.740 ( 13.291 -0.628 -14.665) 19.802 17.353 ( -0.720 -0.391 -20.391) 20.407 17.942 ( -12.241 24.985 23.064) 36.140 18.463 ( -6.483 15.736 -9.394) 19.439 20.378 ( -1.944 6.928 -0.281) 7.201 21.898 ( 2.545 -9.684 0.444) 10.023 ======================= Grid point 682 (287/294) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( -4.508 6.319 -13.721) 15.765 3.284 ( 4.395 6.680 9.269) 12.242 3.826 ( -2.216 -0.988 0.227) 2.437 3.904 ( -2.366 -1.512 -3.611) 4.574 4.034 ( 5.162 10.545 3.558) 12.268 5.308 ( 1.170 -8.354 4.054) 9.359 5.569 ( -1.467 -12.797 0.361) 12.886 6.165 ( 1.691 -2.425 -7.334) 7.908 6.736 ( -10.106 2.619 10.193) 14.590 6.940 ( 8.430 7.882 -3.152) 11.964 7.993 ( -4.446 4.499 0.341) 6.334 8.093 ( 0.726 4.621 -4.394) 6.418 8.717 ( 3.411 -0.956 6.482) 7.386 9.314 ( -1.387 0.699 0.270) 1.577 9.841 ( -4.474 -7.857 3.024) 9.534 10.144 ( 13.331 -10.619 -12.601) 21.195 10.735 ( -14.902 1.631 -1.207) 15.039 11.099 ( 4.427 4.809 -1.692) 6.752 11.236 ( 1.016 0.275 6.585) 6.669 12.476 ( 0.824 9.123 1.302) 9.252 13.433 ( -1.958 -10.198 -2.186) 10.612 13.819 ( 7.588 -8.117 -0.722) 11.135 14.446 ( -4.233 4.954 0.738) 6.558 15.818 ( -7.001 -23.066 9.477) 25.901 16.806 ( 1.166 8.244 -12.122) 14.706 17.475 ( 24.530 2.828 -18.471) 30.837 17.945 ( -23.905 16.754 19.094) 34.881 18.599 ( 4.532 19.706 -0.595) 20.229 20.424 ( -0.283 7.451 -1.201) 7.552 21.839 ( 0.127 -9.762 3.416) 10.343 ======================= Grid point 684 (288/294) ======================= q-point: (-0.33 -0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 4.075 7.622 -11.474) 14.365 3.437 ( 0.700 5.219 2.554) 5.852 3.749 ( -0.280 -1.044 -6.711) 6.798 3.835 ( 0.051 -1.899 -4.671) 5.042 4.252 ( 0.875 5.892 13.440) 14.701 5.272 ( -2.349 -9.015 6.323) 11.260 5.359 ( -2.036 -14.923 -4.254) 15.650 6.187 ( 3.838 -0.484 -2.146) 4.424 6.592 ( -13.384 -1.078 5.798) 14.626 7.132 ( 7.851 12.516 -6.935) 16.321 7.836 ( -5.521 -1.800 -5.053) 7.698 8.309 ( 10.589 12.923 -1.377) 16.764 8.882 ( 9.349 1.077 6.210) 11.276 9.277 ( -6.433 3.679 4.727) 8.790 9.693 ( -5.113 -8.540 1.673) 10.093 10.195 ( 13.968 -12.354 -12.531) 22.467 10.512 ( -14.052 6.192 -3.906) 15.844 10.987 ( -4.801 -5.268 -8.719) 11.262 11.427 ( 3.364 2.936 14.265) 14.948 12.509 ( -2.019 -0.824 0.399) 2.217 13.316 ( -0.896 -6.790 -2.394) 7.255 13.840 ( 5.710 -7.656 -5.554) 11.049 14.347 ( -12.293 3.967 -0.945) 12.951 15.579 ( 2.099 -26.864 5.375) 27.477 16.831 ( -3.833 14.115 -8.485) 16.909 17.711 ( -8.180 6.811 4.644) 11.614 17.965 ( 17.173 7.923 -0.567) 18.920 18.904 ( 6.372 21.177 4.618) 22.592 20.495 ( 1.903 6.868 -2.157) 7.446 21.756 ( -3.461 -8.196 5.696) 10.564 ======================= Grid point 805 (289/294) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -0.000 0.000 20.160) 20.160 2.447 ( 0.000 0.000 20.160) 20.160 3.841 ( -0.000 -0.000 -16.809) 16.809 3.841 ( 0.000 -0.000 -16.809) 16.809 3.909 ( -0.000 -0.000 -1.012) 1.012 5.369 ( 0.000 0.000 22.641) 22.641 6.210 ( 0.000 0.000 15.757) 15.757 6.266 ( -0.000 0.000 2.255) 2.255 6.266 ( 0.000 0.000 2.255) 2.255 7.290 ( -0.000 -0.000 -28.176) 28.176 7.824 ( -0.000 0.000 4.082) 4.082 7.824 ( 0.000 0.000 4.082) 4.082 9.089 ( -0.000 0.000 3.023) 3.023 9.089 ( 0.000 0.000 3.023) 3.023 10.342 ( 0.000 0.000 10.341) 10.341 10.342 ( 0.000 0.000 10.341) 10.341 10.907 ( -0.000 -0.000 -3.284) 3.284 10.969 ( -0.000 -0.000 -15.635) 15.635 10.969 ( 0.000 -0.000 -15.635) 15.635 11.329 ( -0.000 -0.000 -1.542) 1.542 13.950 ( -0.000 0.000 1.105) 1.105 13.950 ( 0.000 0.000 1.105) 1.105 14.456 ( 0.000 0.000 2.904) 2.904 16.595 ( 0.000 0.000 22.507) 22.507 16.595 ( 0.000 0.000 22.507) 22.507 17.396 ( -0.000 -0.000 -20.224) 20.224 17.396 ( -0.000 -0.000 -20.224) 20.224 17.792 ( 0.000 0.000 0.699) 0.699 20.201 ( -0.000 -0.000 -2.971) 2.971 22.172 ( 0.000 0.000 1.987) 1.987 ======================= Grid point 806 (290/294) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -2.924 5.273 19.619) 20.525 2.885 ( 24.109 7.963 6.076) 26.107 3.622 ( -4.887 -2.332 -3.081) 6.230 3.895 ( 7.870 -0.957 -14.085) 16.163 3.911 ( -0.511 4.381 -5.312) 6.904 5.397 ( -4.662 -3.148 9.913) 11.398 6.145 ( -10.369 -4.141 9.085) 14.395 6.256 ( -1.778 -2.831 7.710) 8.403 6.466 ( 8.808 5.097 6.977) 12.338 6.997 ( -8.346 -4.897 -20.543) 22.708 7.863 ( 2.250 2.217 4.420) 5.432 7.888 ( 1.782 2.056 0.387) 2.748 9.032 ( -1.698 -10.820 1.348) 11.035 9.177 ( 1.624 9.394 -0.875) 9.573 10.303 ( 0.005 -13.574 11.610) 17.862 10.338 ( -12.399 2.071 1.038) 12.614 10.731 ( -10.150 6.653 -3.824) 12.725 10.937 ( 2.976 5.041 -5.780) 8.227 11.056 ( 13.711 -2.733 -9.380) 16.836 11.627 ( 22.088 13.908 -3.667) 26.358 13.855 ( -6.406 -6.949 2.720) 9.834 13.971 ( -1.614 2.437 -0.723) 3.011 14.436 ( -2.466 -1.443 1.621) 3.285 16.535 ( -11.011 2.761 21.013) 23.883 16.813 ( -3.315 -14.448 5.503) 15.812 17.072 ( 2.535 -4.564 -1.971) 5.581 17.548 ( 9.100 16.150 -20.546) 27.672 17.944 ( 13.139 4.713 -1.482) 14.037 20.216 ( 2.564 1.621 -1.773) 3.513 22.138 ( -3.715 -2.291 0.915) 4.460 ======================= Grid point 807 (291/294) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 1.873 6.545 16.728) 18.060 3.220 ( 10.341 2.984 -13.790) 17.493 3.703 ( 7.388 4.210 16.195) 18.292 3.889 ( -1.087 -1.050 1.875) 2.408 3.939 ( 7.167 2.646 -18.145) 19.688 5.363 ( -0.329 -0.760 1.608) 1.809 5.883 ( -15.718 -8.052 -0.912) 17.684 6.215 ( -5.553 -4.338 10.127) 12.337 6.715 ( 11.631 3.055 5.903) 13.396 6.791 ( -4.147 2.279 -10.315) 11.349 7.930 ( 2.945 0.890 -1.857) 3.594 7.975 ( 2.552 5.034 5.454) 7.848 8.858 ( -5.185 -8.710 -4.127) 10.944 9.275 ( 1.941 4.403 -0.441) 4.832 10.064 ( -12.809 -3.465 -5.257) 14.273 10.247 ( -1.241 -14.935 13.388) 20.096 10.696 ( -8.346 16.141 1.321) 18.219 11.014 ( 6.144 0.118 -3.816) 7.234 11.201 ( 8.864 -0.230 -5.974) 10.692 12.131 ( 22.049 13.495 -1.583) 25.900 13.652 ( -11.565 -6.213 2.427) 13.351 13.933 ( -2.273 -3.914 0.170) 4.530 14.403 ( -1.231 1.865 -0.415) 2.272 16.328 ( -22.517 -7.667 -7.737) 25.014 16.630 ( 1.248 -1.409 13.365) 13.497 17.272 ( 15.231 -12.595 17.489) 26.391 17.743 ( 6.280 23.591 -20.632) 31.964 18.242 ( 17.456 5.972 -1.835) 18.540 20.293 ( 4.816 3.062 -0.139) 5.709 22.021 ( -6.609 -4.094 -0.985) 7.837 ======================= Grid point 819 (292/294) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 10.507 5.884 6.374) 13.625 2.799 ( -10.158 14.495 7.084) 19.065 3.659 ( 0.626 1.463 4.776) 5.034 3.759 ( -0.767 3.943 -13.090) 13.692 3.921 ( 0.086 2.441 -4.085) 4.759 5.436 ( -0.179 -6.489 4.104) 7.680 6.154 ( 0.219 -12.886 5.332) 13.947 6.341 ( 0.672 2.238 1.708) 2.894 6.521 ( -1.377 4.745 14.769) 15.573 6.866 ( 0.513 -6.019 -19.364) 20.284 7.861 ( 0.342 1.070 3.128) 3.324 7.917 ( 0.386 4.925 -0.891) 5.019 8.999 ( -2.777 -9.877 3.965) 11.000 9.203 ( 2.189 6.476 -2.773) 7.377 10.248 ( -2.820 -14.280 8.216) 16.715 10.509 ( 2.858 0.339 -6.359) 6.979 10.709 ( 2.733 -4.015 1.270) 5.020 10.826 ( 0.558 1.830 -0.358) 1.947 11.055 ( -2.990 11.892 -7.669) 14.463 11.607 ( 0.566 25.437 -0.991) 25.462 13.877 ( -2.746 -8.314 0.635) 8.779 13.960 ( 2.986 -0.253 0.121) 2.999 14.441 ( -0.206 -3.391 1.048) 3.555 16.562 ( 3.732 -18.800 19.772) 27.537 16.913 ( -6.076 -7.006 -17.568) 19.866 17.164 ( -8.196 14.601 19.664) 25.827 17.340 ( 10.745 8.459 -19.002) 23.411 17.945 ( -0.814 13.774 -1.646) 13.896 20.209 ( 0.057 3.346 -1.027) 3.500 22.140 ( -0.065 -4.950 0.717) 5.002 ======================= Grid point 820 (293/294) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 2.934 3.019 -9.739) 10.610 3.086 ( 6.362 12.853 7.109) 16.007 3.712 ( 1.243 3.161 -0.305) 3.411 3.837 ( 5.489 9.213 1.364) 10.811 3.909 ( 0.062 -0.237 0.595) 0.644 5.376 ( -1.452 -2.610 0.827) 3.099 5.958 ( -9.393 -15.622 -1.559) 18.295 6.314 ( -1.780 -3.707 0.500) 4.143 6.636 ( 2.494 1.251 8.858) 9.287 6.786 ( 0.670 4.314 -8.812) 9.834 7.884 ( -0.393 0.441 -1.250) 1.383 7.992 ( 4.566 5.702 -1.218) 7.406 8.901 ( -4.807 -6.258 6.682) 10.340 9.247 ( 2.145 1.867 -3.849) 4.786 10.091 ( -4.122 -14.234 4.408) 15.460 10.367 ( -13.820 0.563 0.064) 13.832 10.704 ( 13.724 -8.486 -14.847) 21.927 10.939 ( -3.055 10.126 1.421) 10.672 11.163 ( 4.640 7.263 6.805) 10.981 11.983 ( 13.328 23.940 -2.025) 27.474 13.731 ( -4.720 -11.291 3.040) 12.610 13.948 ( -3.492 -0.160 -3.559) 4.988 14.399 ( -0.225 -3.241 0.088) 3.250 16.421 ( -9.066 -15.688 -7.616) 19.655 16.695 ( -0.195 -7.139 8.293) 10.944 17.258 ( -7.047 7.593 20.410) 22.889 17.608 ( 18.177 15.923 -21.098) 32.079 18.145 ( 7.050 14.774 2.973) 16.637 20.266 ( 2.706 4.634 -0.281) 5.374 22.055 ( -3.830 -6.626 0.332) 7.661 ======================= Grid point 976 (294/294) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 5.98e-04 5.98e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 0.000 0.000 0.000) 0.000 2.657 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 5.531 ( 0.000 0.000 0.000) 0.000 6.287 ( -0.000 0.000 0.000) 0.000 6.287 ( 0.000 0.000 0.000) 0.000 6.605 ( 0.000 0.000 0.000) 0.000 6.825 ( -0.000 -0.000 -0.000) 0.000 7.863 ( 0.000 0.000 0.000) 0.000 7.863 ( 0.000 0.000 0.000) 0.000 9.116 ( 0.000 0.000 0.000) 0.000 9.116 ( 0.000 0.000 0.000) 0.000 10.475 ( -0.000 0.000 0.000) 0.000 10.475 ( 0.000 0.000 0.000) 0.000 10.786 ( 0.000 0.000 0.000) 0.000 10.786 ( 0.000 0.000 0.000) 0.000 10.877 ( 0.000 0.000 0.000) 0.000 11.315 ( 0.000 0.000 0.000) 0.000 13.960 ( 0.000 0.000 0.000) 0.000 13.960 ( 0.000 0.000 0.000) 0.000 14.482 ( 0.000 0.000 0.000) 0.000 16.955 ( 0.000 0.000 0.000) 0.000 16.955 ( 0.000 0.000 0.000) 0.000 17.057 ( -0.000 -0.000 -0.000) 0.000 17.057 ( 0.000 -0.000 -0.000) 0.000 17.799 ( 0.000 0.000 0.000) 0.000 20.174 ( 0.000 0.000 0.000) 0.000 22.190 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/51840 10.0 1086.113 1086.113 1713.770 0.000 -0.000 0.000 3/51840 20.0 562.500 562.500 611.183 0.000 -0.000 0.000 3/51840 30.0 233.122 233.122 241.611 0.000 -0.000 0.000 3/51840 40.0 124.236 124.236 122.448 0.000 -0.000 0.000 3/51840 50.0 78.035 78.035 75.020 0.000 -0.000 0.000 3/51840 60.0 54.485 54.485 51.708 0.000 -0.000 0.000 3/51840 70.0 40.852 40.852 38.447 0.000 -0.000 0.000 3/51840 80.0 32.217 32.217 30.119 0.000 -0.000 0.000 3/51840 90.0 26.374 26.374 24.512 0.000 -0.000 0.000 3/51840 100.0 22.215 22.215 20.538 0.000 -0.000 0.000 3/51840 110.0 19.135 19.135 17.606 0.000 -0.000 0.000 3/51840 120.0 16.778 16.778 15.373 0.000 -0.000 0.000 3/51840 130.0 14.926 14.926 13.626 0.000 -0.000 0.000 3/51840 140.0 13.437 13.437 12.230 0.000 -0.000 0.000 3/51840 150.0 12.218 12.218 11.091 0.000 -0.000 0.000 3/51840 160.0 11.203 11.203 10.148 0.000 -0.000 0.000 3/51840 170.0 10.347 10.347 9.355 0.000 -0.000 0.000 3/51840 180.0 9.614 9.614 8.679 0.000 -0.000 0.000 3/51840 190.0 8.981 8.981 8.098 0.000 -0.000 0.000 3/51840 200.0 8.429 8.429 7.593 0.000 -0.000 0.000 3/51840 210.0 7.943 7.943 7.150 0.000 -0.000 0.000 3/51840 220.0 7.512 7.512 6.758 0.000 -0.000 0.000 3/51840 230.0 7.127 7.127 6.409 0.000 -0.000 0.000 3/51840 240.0 6.781 6.781 6.096 0.000 -0.000 0.000 3/51840 250.0 6.469 6.469 5.814 0.000 -0.000 0.000 3/51840 260.0 6.186 6.186 5.558 0.000 -0.000 0.000 3/51840 270.0 5.927 5.927 5.325 0.000 -0.000 0.000 3/51840 280.0 5.690 5.690 5.111 0.000 -0.000 0.000 3/51840 290.0 5.472 5.472 4.915 0.000 -0.000 0.000 3/51840 300.0 5.270 5.270 4.735 0.000 -0.000 0.000 3/51840 310.0 5.084 5.084 4.567 0.000 -0.000 0.000 3/51840 320.0 4.910 4.910 4.412 0.000 -0.000 0.000 3/51840 330.0 4.749 4.749 4.267 0.000 -0.000 0.000 3/51840 340.0 4.598 4.598 4.132 0.000 -0.000 0.000 3/51840 350.0 4.457 4.457 4.006 0.000 -0.000 0.000 3/51840 360.0 4.325 4.325 3.887 0.000 -0.000 0.000 3/51840 370.0 4.200 4.200 3.776 0.000 -0.000 0.000 3/51840 380.0 4.083 4.083 3.671 0.000 -0.000 0.000 3/51840 390.0 3.972 3.972 3.571 0.000 -0.000 0.000 3/51840 400.0 3.867 3.867 3.478 0.000 -0.000 0.000 3/51840 410.0 3.768 3.768 3.389 0.000 -0.000 0.000 3/51840 420.0 3.674 3.674 3.305 0.000 -0.000 0.000 3/51840 430.0 3.585 3.585 3.224 0.000 -0.000 0.000 3/51840 440.0 3.500 3.500 3.148 0.000 -0.000 0.000 3/51840 450.0 3.419 3.419 3.076 0.000 -0.000 0.000 3/51840 460.0 3.341 3.341 3.007 0.000 -0.000 0.000 3/51840 470.0 3.268 3.268 2.941 0.000 -0.000 0.000 3/51840 480.0 3.197 3.197 2.877 0.000 -0.000 0.000 3/51840 490.0 3.130 3.130 2.817 0.000 -0.000 0.000 3/51840 500.0 3.065 3.065 2.759 0.000 -0.000 0.000 3/51840 510.0 3.003 3.003 2.703 0.000 -0.000 0.000 3/51840 520.0 2.944 2.944 2.650 0.000 -0.000 0.000 3/51840 530.0 2.886 2.886 2.599 0.000 -0.000 0.000 3/51840 540.0 2.831 2.831 2.550 0.000 -0.000 0.000 3/51840 550.0 2.779 2.779 2.502 0.000 -0.000 0.000 3/51840 560.0 2.728 2.728 2.457 0.000 -0.000 0.000 3/51840 570.0 2.679 2.679 2.413 0.000 -0.000 0.000 3/51840 580.0 2.632 2.632 2.370 0.000 -0.000 0.000 3/51840 590.0 2.586 2.586 2.330 0.000 -0.000 0.000 3/51840 600.0 2.542 2.542 2.290 0.000 -0.000 0.000 3/51840 610.0 2.499 2.499 2.252 0.000 -0.000 0.000 3/51840 620.0 2.458 2.458 2.215 0.000 -0.000 0.000 3/51840 630.0 2.419 2.419 2.179 0.000 -0.000 0.000 3/51840 640.0 2.380 2.380 2.145 0.000 -0.000 0.000 3/51840 650.0 2.343 2.343 2.111 0.000 -0.000 0.000 3/51840 660.0 2.307 2.307 2.079 0.000 -0.000 0.000 3/51840 670.0 2.272 2.272 2.048 0.000 -0.000 0.000 3/51840 680.0 2.238 2.238 2.017 0.000 -0.000 0.000 3/51840 690.0 2.205 2.205 1.987 0.000 -0.000 0.000 3/51840 700.0 2.173 2.173 1.959 0.000 -0.000 0.000 3/51840 710.0 2.142 2.142 1.931 0.000 -0.000 0.000 3/51840 720.0 2.112 2.112 1.904 0.000 -0.000 0.000 3/51840 730.0 2.082 2.082 1.877 0.000 -0.000 0.000 3/51840 740.0 2.054 2.054 1.852 0.000 -0.000 0.000 3/51840 750.0 2.026 2.026 1.827 0.000 -0.000 0.000 3/51840 760.0 1.999 1.999 1.803 0.000 -0.000 0.000 3/51840 770.0 1.973 1.973 1.779 0.000 -0.000 0.000 3/51840 780.0 1.947 1.947 1.756 0.000 -0.000 0.000 3/51840 790.0 1.922 1.922 1.734 0.000 -0.000 0.000 3/51840 800.0 1.898 1.898 1.712 0.000 -0.000 0.000 3/51840 810.0 1.875 1.875 1.691 0.000 -0.000 0.000 3/51840 820.0 1.851 1.851 1.670 0.000 -0.000 0.000 3/51840 830.0 1.829 1.829 1.650 0.000 -0.000 0.000 3/51840 840.0 1.807 1.807 1.630 0.000 -0.000 0.000 3/51840 850.0 1.785 1.785 1.610 0.000 -0.000 0.000 3/51840 860.0 1.765 1.765 1.592 0.000 -0.000 0.000 3/51840 870.0 1.744 1.744 1.573 0.000 -0.000 0.000 3/51840 880.0 1.724 1.724 1.555 0.000 -0.000 0.000 3/51840 890.0 1.705 1.705 1.538 0.000 -0.000 0.000 3/51840 900.0 1.685 1.685 1.520 0.000 -0.000 0.000 3/51840 910.0 1.667 1.667 1.504 0.000 -0.000 0.000 3/51840 920.0 1.649 1.649 1.487 0.000 -0.000 0.000 3/51840 930.0 1.631 1.631 1.471 0.000 -0.000 0.000 3/51840 940.0 1.613 1.613 1.455 0.000 -0.000 0.000 3/51840 950.0 1.596 1.596 1.440 0.000 -0.000 0.000 3/51840 960.0 1.579 1.579 1.425 0.000 -0.000 0.000 3/51840 970.0 1.563 1.563 1.410 0.000 -0.000 0.000 3/51840 980.0 1.547 1.547 1.396 0.000 -0.000 0.000 3/51840 990.0 1.531 1.531 1.382 0.000 -0.000 0.000 3/51840 1000.0 1.516 1.516 1.368 0.000 -0.000 0.000 3/51840 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:29:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|