----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:08:48]------------------------- 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: [1 4 3] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.035274682280342 -2.241214700000000 0.000000000000000 b 8.035274682280342 2.241214700000000 0.000000000000000 c -3.788542557507070 0.000000000000000 6.838042255932490 Atomic positions (fractional): *1 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 *2 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 *3 I 0.36996369494035 0.36996369494035 0.69267810342773 126.904 *4 I 0.87393983263334 0.87393983263334 0.21567650378741 126.904 5 I 0.63003630505965 0.63003630505965 0.30732189657227 126.904 6 I 0.12606016736666 0.12606016736666 0.78432349621259 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 16.070549364560684 0.000000000000000 0.000000000000000 b 0.000000000000000 4.482429399999999 0.000000000000000 c -3.788542557507070 0.000000000000000 6.838042255932490 Atomic positions (fractional): *1 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 1 2 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 1 *3 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 2 4 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 2 *5 I 0.86996369494035 0.50000000000000 0.69267810342773 126.904 > 3 *6 I 0.87393983263334 0.00000000000000 0.21567650378741 126.904 > 4 7 I 0.63003630505965 0.00000000000000 0.30732189657227 126.904 > 5 8 I 0.62606016736666 0.50000000000000 0.78432349621259 126.904 > 6 9 I 0.36996369494036 0.00000000000000 0.69267810342773 126.904 > 3 10 I 0.37393983263334 0.50000000000000 0.21567650378741 126.904 > 4 11 I 0.13003630505965 0.50000000000000 0.30732189657227 126.904 > 5 12 I 0.12606016736666 0.00000000000000 0.78432349621259 126.904 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.070549364560684 0.000000000000000 0.000000000000000 b 0.000000000000000 17.929717599999996 0.000000000000000 c -11.365627672521210 0.000000000000000 20.514126767797471 Atomic positions (fractional): *1 Ca 0.00000000000000 0.12500000000000 0.16666666666667 40.078 > 1 2 Ca 0.00000000000000 0.37500000000000 0.16666666666667 40.078 > 1 3 Ca 0.00000000000000 0.62500000000000 0.16666666666667 40.078 > 1 4 Ca 0.00000000000000 0.87500000000000 0.16666666666667 40.078 > 1 5 Ca 0.00000000000000 0.12500000000000 0.50000000000000 40.078 > 1 6 Ca 0.00000000000000 0.37500000000000 0.50000000000000 40.078 > 1 7 Ca 0.00000000000000 0.62500000000000 0.50000000000000 40.078 > 1 8 Ca 0.00000000000000 0.87500000000000 0.50000000000000 40.078 > 1 9 Ca 0.00000000000000 0.12500000000000 0.83333333333333 40.078 > 1 10 Ca 0.00000000000000 0.37500000000000 0.83333333333333 40.078 > 1 11 Ca 0.00000000000000 0.62500000000000 0.83333333333333 40.078 > 1 12 Ca 0.00000000000000 0.87500000000000 0.83333333333333 40.078 > 1 13 Ca 0.50000000000000 0.00000000000000 0.16666666666667 40.078 > 1 14 Ca 0.50000000000000 0.25000000000000 0.16666666666667 40.078 > 1 15 Ca 0.50000000000000 0.50000000000000 0.16666666666667 40.078 > 1 16 Ca 0.50000000000000 0.75000000000000 0.16666666666667 40.078 > 1 17 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 1 18 Ca 0.50000000000000 0.25000000000000 0.50000000000000 40.078 > 1 19 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 1 20 Ca 0.50000000000000 0.75000000000000 0.50000000000000 40.078 > 1 21 Ca 0.50000000000000 0.00000000000000 0.83333333333333 40.078 > 1 22 Ca 0.50000000000000 0.25000000000000 0.83333333333333 40.078 > 1 23 Ca 0.50000000000000 0.50000000000000 0.83333333333333 40.078 > 1 24 Ca 0.50000000000000 0.75000000000000 0.83333333333333 40.078 > 1 *25 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 2 26 Pb 0.00000000000000 0.25000000000000 0.00000000000000 207.200 > 2 27 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 2 28 Pb 0.00000000000000 0.75000000000000 0.00000000000000 207.200 > 2 29 Pb 0.00000000000000 0.00000000000000 0.33333333333333 207.200 > 2 30 Pb 0.00000000000000 0.25000000000000 0.33333333333333 207.200 > 2 31 Pb 0.00000000000000 0.50000000000000 0.33333333333333 207.200 > 2 32 Pb 0.00000000000000 0.75000000000000 0.33333333333333 207.200 > 2 33 Pb 0.00000000000000 0.00000000000000 0.66666666666667 207.200 > 2 34 Pb 0.00000000000000 0.25000000000000 0.66666666666667 207.200 > 2 35 Pb 0.00000000000000 0.50000000000000 0.66666666666667 207.200 > 2 36 Pb 0.00000000000000 0.75000000000000 0.66666666666667 207.200 > 2 37 Pb 0.50000000000000 0.12500000000000 0.00000000000000 207.200 > 2 38 Pb 0.50000000000000 0.37500000000000 0.00000000000000 207.200 > 2 39 Pb 0.50000000000000 0.62500000000000 0.00000000000000 207.200 > 2 40 Pb 0.50000000000000 0.87500000000000 0.00000000000000 207.200 > 2 41 Pb 0.50000000000000 0.12500000000000 0.33333333333333 207.200 > 2 42 Pb 0.50000000000000 0.37500000000000 0.33333333333333 207.200 > 2 43 Pb 0.50000000000000 0.62500000000000 0.33333333333333 207.200 > 2 44 Pb 0.50000000000000 0.87500000000000 0.33333333333333 207.200 > 2 45 Pb 0.50000000000000 0.12500000000000 0.66666666666667 207.200 > 2 46 Pb 0.50000000000000 0.37500000000000 0.66666666666667 207.200 > 2 47 Pb 0.50000000000000 0.62500000000000 0.66666666666667 207.200 > 2 48 Pb 0.50000000000000 0.87500000000000 0.66666666666667 207.200 > 2 *49 I 0.86996369494035 0.12500000000000 0.23089270114258 126.904 > 3 50 I 0.86996369494035 0.37500000000000 0.23089270114258 126.904 > 3 51 I 0.86996369494035 0.62500000000000 0.23089270114258 126.904 > 3 52 I 0.86996369494035 0.87500000000000 0.23089270114258 126.904 > 3 53 I 0.86996369494035 0.12500000000000 0.56422603447591 126.904 > 3 54 I 0.86996369494035 0.37500000000000 0.56422603447591 126.904 > 3 55 I 0.86996369494035 0.62500000000000 0.56422603447591 126.904 > 3 56 I 0.86996369494035 0.87500000000000 0.56422603447591 126.904 > 3 57 I 0.86996369494035 0.12500000000000 0.89755936780924 126.904 > 3 58 I 0.86996369494035 0.37500000000000 0.89755936780924 126.904 > 3 59 I 0.86996369494035 0.62500000000000 0.89755936780924 126.904 > 3 60 I 0.86996369494035 0.87500000000000 0.89755936780924 126.904 > 3 *61 I 0.87393983263334 0.00000000000000 0.07189216792914 126.904 > 4 62 I 0.87393983263334 0.25000000000000 0.07189216792914 126.904 > 4 63 I 0.87393983263334 0.50000000000000 0.07189216792914 126.904 > 4 64 I 0.87393983263334 0.75000000000000 0.07189216792914 126.904 > 4 65 I 0.87393983263334 0.00000000000000 0.40522550126247 126.904 > 4 66 I 0.87393983263334 0.25000000000000 0.40522550126247 126.904 > 4 67 I 0.87393983263334 0.50000000000000 0.40522550126247 126.904 > 4 68 I 0.87393983263334 0.75000000000000 0.40522550126247 126.904 > 4 69 I 0.87393983263334 0.00000000000000 0.73855883459580 126.904 > 4 70 I 0.87393983263334 0.25000000000000 0.73855883459580 126.904 > 4 71 I 0.87393983263334 0.50000000000000 0.73855883459580 126.904 > 4 72 I 0.87393983263334 0.75000000000000 0.73855883459580 126.904 > 4 73 I 0.63003630505965 0.00000000000000 0.10244063219076 126.904 > 5 74 I 0.63003630505965 0.25000000000000 0.10244063219076 126.904 > 5 75 I 0.63003630505965 0.50000000000000 0.10244063219076 126.904 > 5 76 I 0.63003630505965 0.75000000000000 0.10244063219076 126.904 > 5 77 I 0.63003630505965 0.00000000000000 0.43577396552409 126.904 > 5 78 I 0.63003630505965 0.25000000000000 0.43577396552409 126.904 > 5 79 I 0.63003630505965 0.50000000000000 0.43577396552409 126.904 > 5 80 I 0.63003630505965 0.75000000000000 0.43577396552409 126.904 > 5 81 I 0.63003630505965 0.00000000000000 0.76910729885742 126.904 > 5 82 I 0.63003630505965 0.25000000000000 0.76910729885742 126.904 > 5 83 I 0.63003630505965 0.50000000000000 0.76910729885742 126.904 > 5 84 I 0.63003630505965 0.75000000000000 0.76910729885742 126.904 > 5 85 I 0.62606016736666 0.12500000000000 0.26144116540420 126.904 > 6 86 I 0.62606016736666 0.37500000000000 0.26144116540420 126.904 > 6 87 I 0.62606016736666 0.62500000000000 0.26144116540420 126.904 > 6 88 I 0.62606016736666 0.87500000000000 0.26144116540420 126.904 > 6 89 I 0.62606016736666 0.12500000000000 0.59477449873753 126.904 > 6 90 I 0.62606016736666 0.37500000000000 0.59477449873753 126.904 > 6 91 I 0.62606016736666 0.62500000000000 0.59477449873753 126.904 > 6 92 I 0.62606016736666 0.87500000000000 0.59477449873753 126.904 > 6 93 I 0.62606016736666 0.12500000000000 0.92810783207086 126.904 > 6 94 I 0.62606016736666 0.37500000000000 0.92810783207086 126.904 > 6 95 I 0.62606016736666 0.62500000000000 0.92810783207086 126.904 > 6 96 I 0.62606016736666 0.87500000000000 0.92810783207086 126.904 > 6 97 I 0.36996369494036 0.00000000000000 0.23089270114258 126.904 > 3 98 I 0.36996369494036 0.25000000000000 0.23089270114258 126.904 > 3 99 I 0.36996369494036 0.50000000000000 0.23089270114258 126.904 > 3 100 I 0.36996369494036 0.75000000000000 0.23089270114258 126.904 > 3 101 I 0.36996369494036 0.00000000000000 0.56422603447591 126.904 > 3 102 I 0.36996369494036 0.25000000000000 0.56422603447591 126.904 > 3 103 I 0.36996369494036 0.50000000000000 0.56422603447591 126.904 > 3 104 I 0.36996369494036 0.75000000000000 0.56422603447591 126.904 > 3 105 I 0.36996369494036 0.00000000000000 0.89755936780924 126.904 > 3 106 I 0.36996369494036 0.25000000000000 0.89755936780924 126.904 > 3 107 I 0.36996369494036 0.50000000000000 0.89755936780924 126.904 > 3 108 I 0.36996369494036 0.75000000000000 0.89755936780924 126.904 > 3 109 I 0.37393983263334 0.12500000000000 0.07189216792914 126.904 > 4 110 I 0.37393983263334 0.37500000000000 0.07189216792914 126.904 > 4 111 I 0.37393983263334 0.62500000000000 0.07189216792914 126.904 > 4 112 I 0.37393983263334 0.87500000000000 0.07189216792914 126.904 > 4 113 I 0.37393983263334 0.12500000000000 0.40522550126247 126.904 > 4 114 I 0.37393983263334 0.37500000000000 0.40522550126247 126.904 > 4 115 I 0.37393983263334 0.62500000000000 0.40522550126247 126.904 > 4 116 I 0.37393983263334 0.87500000000000 0.40522550126247 126.904 > 4 117 I 0.37393983263334 0.12500000000000 0.73855883459580 126.904 > 4 118 I 0.37393983263334 0.37500000000000 0.73855883459580 126.904 > 4 119 I 0.37393983263334 0.62500000000000 0.73855883459580 126.904 > 4 120 I 0.37393983263334 0.87500000000000 0.73855883459580 126.904 > 4 121 I 0.13003630505965 0.12500000000000 0.10244063219076 126.904 > 5 122 I 0.13003630505965 0.37500000000000 0.10244063219076 126.904 > 5 123 I 0.13003630505965 0.62500000000000 0.10244063219076 126.904 > 5 124 I 0.13003630505965 0.87500000000000 0.10244063219076 126.904 > 5 125 I 0.13003630505965 0.12500000000000 0.43577396552409 126.904 > 5 126 I 0.13003630505965 0.37500000000000 0.43577396552409 126.904 > 5 127 I 0.13003630505965 0.62500000000000 0.43577396552409 126.904 > 5 128 I 0.13003630505965 0.87500000000000 0.43577396552409 126.904 > 5 129 I 0.13003630505965 0.12500000000000 0.76910729885742 126.904 > 5 130 I 0.13003630505965 0.37500000000000 0.76910729885742 126.904 > 5 131 I 0.13003630505965 0.62500000000000 0.76910729885742 126.904 > 5 132 I 0.13003630505965 0.87500000000000 0.76910729885742 126.904 > 5 133 I 0.12606016736666 0.00000000000000 0.26144116540420 126.904 > 6 134 I 0.12606016736666 0.25000000000000 0.26144116540420 126.904 > 6 135 I 0.12606016736666 0.50000000000000 0.26144116540420 126.904 > 6 136 I 0.12606016736666 0.75000000000000 0.26144116540420 126.904 > 6 137 I 0.12606016736666 0.00000000000000 0.59477449873753 126.904 > 6 138 I 0.12606016736666 0.25000000000000 0.59477449873753 126.904 > 6 139 I 0.12606016736666 0.50000000000000 0.59477449873753 126.904 > 6 140 I 0.12606016736666 0.75000000000000 0.59477449873753 126.904 > 6 141 I 0.12606016736666 0.00000000000000 0.92810783207086 126.904 > 6 142 I 0.12606016736666 0.25000000000000 0.92810783207086 126.904 > 6 143 I 0.12606016736666 0.50000000000000 0.92810783207086 126.904 > 6 144 I 0.12606016736666 0.75000000000000 0.92810783207086 126.904 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4321023 0.0000000 -0.3698366 0.0000000 5.3716462 0.0000000 -0.3698365 0.0000000 5.0092710 -------------------------- Born effective charges -------------------------- 1 Ca 1.4609269 0.0000000 -0.6643095 0.0000000 2.4213065 0.0000000 -0.5544263 0.0000000 2.4398581 2 Pb 2.3780176 0.0000000 -0.6226000 0.0000000 3.9726779 0.0000000 -0.7327684 0.0000000 3.1668517 3 I -0.7804173 0.0000000 0.0639176 0.0000000 -2.0144481 0.0000000 0.1415963 0.0000000 -1.4744841 4 I -1.1390549 0.0000000 0.5795371 0.0000000 -1.1825441 0.0000000 0.5020010 0.0000000 -1.3288707 5 I -0.7804173 0.0000000 0.0639176 0.0000000 -2.0144481 0.0000000 0.1415963 0.0000000 -1.4744841 6 I -1.1390549 0.0000000 0.5795371 0.0000000 -1.1825441 0.0000000 0.5020010 0.0000000 -1.3288707 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 5148/5148 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1102 Number of blocks in projector: 1102 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (1102, 1083), data: False |-- (156, 156), data: True |-- (156, 156), data: True |-- (170, 166), data: True |-- (170, 166), data: True |-- (170, 166), data: True |-- (280, 273), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 240 - Time: 1.567 Solver_block: 200 / 240 - Time: 1.540 Solver_block: 240 / 240 - Time: 0.683 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.817 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 5148/5148 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1102 Number of blocks in projector: 1102 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 170 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (1102, 1083), data: False |-- (156, 156), data: True |-- (156, 156), data: True |-- (170, 166), data: True |-- (170, 166), data: True |-- (170, 166), data: True |-- (280, 273), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zx) -0.00000000 (zx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:09:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:09:06]------------------------- 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): [1 4 3] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.035274682280342 -2.241214700000000 0.000000000000000 b 8.035274682280342 2.241214700000000 0.000000000000000 c -3.788542557507070 0.000000000000000 6.838042255932490 Atomic positions (fractional): 1 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 2 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 3 I 0.36996369494035 0.36996369494035 0.69267810342773 126.904 4 I 0.87393983263334 0.87393983263334 0.21567650378741 126.904 5 I 0.63003630505965 0.63003630505965 0.30732189657227 126.904 6 I 0.12606016736666 0.12606016736666 0.78432349621259 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.070549364560684 0.000000000000000 0.000000000000000 b 0.000000000000000 17.929717599999996 0.000000000000000 c -11.365627672521210 0.000000000000000 20.514126767797471 Atomic positions (fractional): 1 Ca 0.00000000000000 0.12500000000000 0.16666666666667 40.078 > 1 2 Ca 0.00000000000000 0.37500000000000 0.16666666666667 40.078 > 1 3 Ca 0.00000000000000 0.62500000000000 0.16666666666667 40.078 > 1 4 Ca 0.00000000000000 0.87500000000000 0.16666666666667 40.078 > 1 5 Ca 0.00000000000000 0.12500000000000 0.50000000000000 40.078 > 1 6 Ca 0.00000000000000 0.37500000000000 0.50000000000000 40.078 > 1 7 Ca 0.00000000000000 0.62500000000000 0.50000000000000 40.078 > 1 8 Ca 0.00000000000000 0.87500000000000 0.50000000000000 40.078 > 1 9 Ca 0.00000000000000 0.12500000000000 0.83333333333333 40.078 > 1 10 Ca 0.00000000000000 0.37500000000000 0.83333333333333 40.078 > 1 11 Ca 0.00000000000000 0.62500000000000 0.83333333333333 40.078 > 1 12 Ca 0.00000000000000 0.87500000000000 0.83333333333333 40.078 > 1 13 Ca 0.50000000000000 0.00000000000000 0.16666666666667 40.078 > 1 14 Ca 0.50000000000000 0.25000000000000 0.16666666666667 40.078 > 1 15 Ca 0.50000000000000 0.50000000000000 0.16666666666667 40.078 > 1 16 Ca 0.50000000000000 0.75000000000000 0.16666666666667 40.078 > 1 17 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 1 18 Ca 0.50000000000000 0.25000000000000 0.50000000000000 40.078 > 1 19 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 1 20 Ca 0.50000000000000 0.75000000000000 0.50000000000000 40.078 > 1 21 Ca 0.50000000000000 0.00000000000000 0.83333333333333 40.078 > 1 22 Ca 0.50000000000000 0.25000000000000 0.83333333333333 40.078 > 1 23 Ca 0.50000000000000 0.50000000000000 0.83333333333333 40.078 > 1 24 Ca 0.50000000000000 0.75000000000000 0.83333333333333 40.078 > 1 25 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 25 26 Pb 0.00000000000000 0.25000000000000 0.00000000000000 207.200 > 25 27 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 25 28 Pb 0.00000000000000 0.75000000000000 0.00000000000000 207.200 > 25 29 Pb 0.00000000000000 0.00000000000000 0.33333333333333 207.200 > 25 30 Pb 0.00000000000000 0.25000000000000 0.33333333333333 207.200 > 25 31 Pb 0.00000000000000 0.50000000000000 0.33333333333333 207.200 > 25 32 Pb 0.00000000000000 0.75000000000000 0.33333333333333 207.200 > 25 33 Pb 0.00000000000000 0.00000000000000 0.66666666666667 207.200 > 25 34 Pb 0.00000000000000 0.25000000000000 0.66666666666667 207.200 > 25 35 Pb 0.00000000000000 0.50000000000000 0.66666666666667 207.200 > 25 36 Pb 0.00000000000000 0.75000000000000 0.66666666666667 207.200 > 25 37 Pb 0.50000000000000 0.12500000000000 0.00000000000000 207.200 > 25 38 Pb 0.50000000000000 0.37500000000000 0.00000000000000 207.200 > 25 39 Pb 0.50000000000000 0.62500000000000 0.00000000000000 207.200 > 25 40 Pb 0.50000000000000 0.87500000000000 0.00000000000000 207.200 > 25 41 Pb 0.50000000000000 0.12500000000000 0.33333333333333 207.200 > 25 42 Pb 0.50000000000000 0.37500000000000 0.33333333333333 207.200 > 25 43 Pb 0.50000000000000 0.62500000000000 0.33333333333333 207.200 > 25 44 Pb 0.50000000000000 0.87500000000000 0.33333333333333 207.200 > 25 45 Pb 0.50000000000000 0.12500000000000 0.66666666666667 207.200 > 25 46 Pb 0.50000000000000 0.37500000000000 0.66666666666667 207.200 > 25 47 Pb 0.50000000000000 0.62500000000000 0.66666666666667 207.200 > 25 48 Pb 0.50000000000000 0.87500000000000 0.66666666666667 207.200 > 25 49 I 0.86996369494035 0.12500000000000 0.23089270114258 126.904 > 49 50 I 0.86996369494035 0.37500000000000 0.23089270114258 126.904 > 49 51 I 0.86996369494035 0.62500000000000 0.23089270114258 126.904 > 49 52 I 0.86996369494035 0.87500000000000 0.23089270114258 126.904 > 49 53 I 0.86996369494035 0.12500000000000 0.56422603447591 126.904 > 49 54 I 0.86996369494035 0.37500000000000 0.56422603447591 126.904 > 49 55 I 0.86996369494035 0.62500000000000 0.56422603447591 126.904 > 49 56 I 0.86996369494035 0.87500000000000 0.56422603447591 126.904 > 49 57 I 0.86996369494035 0.12500000000000 0.89755936780924 126.904 > 49 58 I 0.86996369494035 0.37500000000000 0.89755936780924 126.904 > 49 59 I 0.86996369494035 0.62500000000000 0.89755936780924 126.904 > 49 60 I 0.86996369494035 0.87500000000000 0.89755936780924 126.904 > 49 61 I 0.87393983263334 0.00000000000000 0.07189216792914 126.904 > 61 62 I 0.87393983263334 0.25000000000000 0.07189216792914 126.904 > 61 63 I 0.87393983263334 0.50000000000000 0.07189216792914 126.904 > 61 64 I 0.87393983263334 0.75000000000000 0.07189216792914 126.904 > 61 65 I 0.87393983263334 0.00000000000000 0.40522550126247 126.904 > 61 66 I 0.87393983263334 0.25000000000000 0.40522550126247 126.904 > 61 67 I 0.87393983263334 0.50000000000000 0.40522550126247 126.904 > 61 68 I 0.87393983263334 0.75000000000000 0.40522550126247 126.904 > 61 69 I 0.87393983263334 0.00000000000000 0.73855883459580 126.904 > 61 70 I 0.87393983263334 0.25000000000000 0.73855883459580 126.904 > 61 71 I 0.87393983263334 0.50000000000000 0.73855883459580 126.904 > 61 72 I 0.87393983263334 0.75000000000000 0.73855883459580 126.904 > 61 73 I 0.63003630505965 0.00000000000000 0.10244063219076 126.904 > 73 74 I 0.63003630505965 0.25000000000000 0.10244063219076 126.904 > 73 75 I 0.63003630505965 0.50000000000000 0.10244063219076 126.904 > 73 76 I 0.63003630505965 0.75000000000000 0.10244063219076 126.904 > 73 77 I 0.63003630505965 0.00000000000000 0.43577396552409 126.904 > 73 78 I 0.63003630505965 0.25000000000000 0.43577396552409 126.904 > 73 79 I 0.63003630505965 0.50000000000000 0.43577396552409 126.904 > 73 80 I 0.63003630505965 0.75000000000000 0.43577396552409 126.904 > 73 81 I 0.63003630505965 0.00000000000000 0.76910729885742 126.904 > 73 82 I 0.63003630505965 0.25000000000000 0.76910729885742 126.904 > 73 83 I 0.63003630505965 0.50000000000000 0.76910729885742 126.904 > 73 84 I 0.63003630505965 0.75000000000000 0.76910729885742 126.904 > 73 85 I 0.62606016736666 0.12500000000000 0.26144116540420 126.904 > 85 86 I 0.62606016736666 0.37500000000000 0.26144116540420 126.904 > 85 87 I 0.62606016736666 0.62500000000000 0.26144116540420 126.904 > 85 88 I 0.62606016736666 0.87500000000000 0.26144116540420 126.904 > 85 89 I 0.62606016736666 0.12500000000000 0.59477449873753 126.904 > 85 90 I 0.62606016736666 0.37500000000000 0.59477449873753 126.904 > 85 91 I 0.62606016736666 0.62500000000000 0.59477449873753 126.904 > 85 92 I 0.62606016736666 0.87500000000000 0.59477449873753 126.904 > 85 93 I 0.62606016736666 0.12500000000000 0.92810783207086 126.904 > 85 94 I 0.62606016736666 0.37500000000000 0.92810783207086 126.904 > 85 95 I 0.62606016736666 0.62500000000000 0.92810783207086 126.904 > 85 96 I 0.62606016736666 0.87500000000000 0.92810783207086 126.904 > 85 97 I 0.36996369494036 0.00000000000000 0.23089270114258 126.904 > 49 98 I 0.36996369494036 0.25000000000000 0.23089270114258 126.904 > 49 99 I 0.36996369494036 0.50000000000000 0.23089270114258 126.904 > 49 100 I 0.36996369494036 0.75000000000000 0.23089270114258 126.904 > 49 101 I 0.36996369494036 0.00000000000000 0.56422603447591 126.904 > 49 102 I 0.36996369494036 0.25000000000000 0.56422603447591 126.904 > 49 103 I 0.36996369494036 0.50000000000000 0.56422603447591 126.904 > 49 104 I 0.36996369494036 0.75000000000000 0.56422603447591 126.904 > 49 105 I 0.36996369494036 0.00000000000000 0.89755936780924 126.904 > 49 106 I 0.36996369494036 0.25000000000000 0.89755936780924 126.904 > 49 107 I 0.36996369494036 0.50000000000000 0.89755936780924 126.904 > 49 108 I 0.36996369494036 0.75000000000000 0.89755936780924 126.904 > 49 109 I 0.37393983263334 0.12500000000000 0.07189216792914 126.904 > 61 110 I 0.37393983263334 0.37500000000000 0.07189216792914 126.904 > 61 111 I 0.37393983263334 0.62500000000000 0.07189216792914 126.904 > 61 112 I 0.37393983263334 0.87500000000000 0.07189216792914 126.904 > 61 113 I 0.37393983263334 0.12500000000000 0.40522550126247 126.904 > 61 114 I 0.37393983263334 0.37500000000000 0.40522550126247 126.904 > 61 115 I 0.37393983263334 0.62500000000000 0.40522550126247 126.904 > 61 116 I 0.37393983263334 0.87500000000000 0.40522550126247 126.904 > 61 117 I 0.37393983263334 0.12500000000000 0.73855883459580 126.904 > 61 118 I 0.37393983263334 0.37500000000000 0.73855883459580 126.904 > 61 119 I 0.37393983263334 0.62500000000000 0.73855883459580 126.904 > 61 120 I 0.37393983263334 0.87500000000000 0.73855883459580 126.904 > 61 121 I 0.13003630505965 0.12500000000000 0.10244063219076 126.904 > 73 122 I 0.13003630505965 0.37500000000000 0.10244063219076 126.904 > 73 123 I 0.13003630505965 0.62500000000000 0.10244063219076 126.904 > 73 124 I 0.13003630505965 0.87500000000000 0.10244063219076 126.904 > 73 125 I 0.13003630505965 0.12500000000000 0.43577396552409 126.904 > 73 126 I 0.13003630505965 0.37500000000000 0.43577396552409 126.904 > 73 127 I 0.13003630505965 0.62500000000000 0.43577396552409 126.904 > 73 128 I 0.13003630505965 0.87500000000000 0.43577396552409 126.904 > 73 129 I 0.13003630505965 0.12500000000000 0.76910729885742 126.904 > 73 130 I 0.13003630505965 0.37500000000000 0.76910729885742 126.904 > 73 131 I 0.13003630505965 0.62500000000000 0.76910729885742 126.904 > 73 132 I 0.13003630505965 0.87500000000000 0.76910729885742 126.904 > 73 133 I 0.12606016736666 0.00000000000000 0.26144116540420 126.904 > 85 134 I 0.12606016736666 0.25000000000000 0.26144116540420 126.904 > 85 135 I 0.12606016736666 0.50000000000000 0.26144116540420 126.904 > 85 136 I 0.12606016736666 0.75000000000000 0.26144116540420 126.904 > 85 137 I 0.12606016736666 0.00000000000000 0.59477449873753 126.904 > 85 138 I 0.12606016736666 0.25000000000000 0.59477449873753 126.904 > 85 139 I 0.12606016736666 0.50000000000000 0.59477449873753 126.904 > 85 140 I 0.12606016736666 0.75000000000000 0.59477449873753 126.904 > 85 141 I 0.12606016736666 0.00000000000000 0.92810783207086 126.904 > 85 142 I 0.12606016736666 0.25000000000000 0.92810783207086 126.904 > 85 143 I 0.12606016736666 0.50000000000000 0.92810783207086 126.904 > 85 144 I 0.12606016736666 0.75000000000000 0.92810783207086 126.904 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4321023 0.0000000 -0.3698366 0.0000000 5.3716462 0.0000000 -0.3698365 0.0000000 5.0092710 -------------------------- Born effective charges -------------------------- 1 Ca 1.4609269 0.0000000 -0.6643095 0.0000000 2.4213065 0.0000000 -0.5544263 0.0000000 2.4398581 2 Pb 2.3780176 0.0000000 -0.6226000 0.0000000 3.9726779 0.0000000 -0.7327684 0.0000000 3.1668517 3 I -0.7804173 0.0000000 0.0639176 0.0000000 -2.0144481 0.0000000 0.1415963 0.0000000 -1.4744841 4 I -1.1390549 0.0000000 0.5795371 0.0000000 -1.1825441 0.0000000 0.5020010 0.0000000 -1.3288707 5 I -0.7804173 0.0000000 0.0639176 0.0000000 -2.0144481 0.0000000 0.1415963 0.0000000 -1.4744841 6 I -1.1390549 0.0000000 0.5795371 0.0000000 -1.1825441 0.0000000 0.5020010 0.0000000 -1.3288707 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0087] [ 0.0048 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxy) 0.00000000 (xxy) 0.00000000 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:09:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:09:22]------------------------- 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): [1 4 3] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.035274682280342 -2.241214700000000 0.000000000000000 b 8.035274682280342 2.241214700000000 0.000000000000000 c -3.788542557507070 0.000000000000000 6.838042255932490 Atomic positions (fractional): 1 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 2 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 3 I 0.36996369494035 0.36996369494035 0.69267810342773 126.904 4 I 0.87393983263334 0.87393983263334 0.21567650378741 126.904 5 I 0.63003630505965 0.63003630505965 0.30732189657227 126.904 6 I 0.12606016736666 0.12606016736666 0.78432349621259 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.070549364560684 0.000000000000000 0.000000000000000 b 0.000000000000000 17.929717599999996 0.000000000000000 c -11.365627672521210 0.000000000000000 20.514126767797471 Atomic positions (fractional): 1 Ca 0.00000000000000 0.12500000000000 0.16666666666667 40.078 > 1 2 Ca 0.00000000000000 0.37500000000000 0.16666666666667 40.078 > 1 3 Ca 0.00000000000000 0.62500000000000 0.16666666666667 40.078 > 1 4 Ca 0.00000000000000 0.87500000000000 0.16666666666667 40.078 > 1 5 Ca 0.00000000000000 0.12500000000000 0.50000000000000 40.078 > 1 6 Ca 0.00000000000000 0.37500000000000 0.50000000000000 40.078 > 1 7 Ca 0.00000000000000 0.62500000000000 0.50000000000000 40.078 > 1 8 Ca 0.00000000000000 0.87500000000000 0.50000000000000 40.078 > 1 9 Ca 0.00000000000000 0.12500000000000 0.83333333333333 40.078 > 1 10 Ca 0.00000000000000 0.37500000000000 0.83333333333333 40.078 > 1 11 Ca 0.00000000000000 0.62500000000000 0.83333333333333 40.078 > 1 12 Ca 0.00000000000000 0.87500000000000 0.83333333333333 40.078 > 1 13 Ca 0.50000000000000 0.00000000000000 0.16666666666667 40.078 > 1 14 Ca 0.50000000000000 0.25000000000000 0.16666666666667 40.078 > 1 15 Ca 0.50000000000000 0.50000000000000 0.16666666666667 40.078 > 1 16 Ca 0.50000000000000 0.75000000000000 0.16666666666667 40.078 > 1 17 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 1 18 Ca 0.50000000000000 0.25000000000000 0.50000000000000 40.078 > 1 19 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 1 20 Ca 0.50000000000000 0.75000000000000 0.50000000000000 40.078 > 1 21 Ca 0.50000000000000 0.00000000000000 0.83333333333333 40.078 > 1 22 Ca 0.50000000000000 0.25000000000000 0.83333333333333 40.078 > 1 23 Ca 0.50000000000000 0.50000000000000 0.83333333333333 40.078 > 1 24 Ca 0.50000000000000 0.75000000000000 0.83333333333333 40.078 > 1 25 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 25 26 Pb 0.00000000000000 0.25000000000000 0.00000000000000 207.200 > 25 27 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 25 28 Pb 0.00000000000000 0.75000000000000 0.00000000000000 207.200 > 25 29 Pb 0.00000000000000 0.00000000000000 0.33333333333333 207.200 > 25 30 Pb 0.00000000000000 0.25000000000000 0.33333333333333 207.200 > 25 31 Pb 0.00000000000000 0.50000000000000 0.33333333333333 207.200 > 25 32 Pb 0.00000000000000 0.75000000000000 0.33333333333333 207.200 > 25 33 Pb 0.00000000000000 0.00000000000000 0.66666666666667 207.200 > 25 34 Pb 0.00000000000000 0.25000000000000 0.66666666666667 207.200 > 25 35 Pb 0.00000000000000 0.50000000000000 0.66666666666667 207.200 > 25 36 Pb 0.00000000000000 0.75000000000000 0.66666666666667 207.200 > 25 37 Pb 0.50000000000000 0.12500000000000 0.00000000000000 207.200 > 25 38 Pb 0.50000000000000 0.37500000000000 0.00000000000000 207.200 > 25 39 Pb 0.50000000000000 0.62500000000000 0.00000000000000 207.200 > 25 40 Pb 0.50000000000000 0.87500000000000 0.00000000000000 207.200 > 25 41 Pb 0.50000000000000 0.12500000000000 0.33333333333333 207.200 > 25 42 Pb 0.50000000000000 0.37500000000000 0.33333333333333 207.200 > 25 43 Pb 0.50000000000000 0.62500000000000 0.33333333333333 207.200 > 25 44 Pb 0.50000000000000 0.87500000000000 0.33333333333333 207.200 > 25 45 Pb 0.50000000000000 0.12500000000000 0.66666666666667 207.200 > 25 46 Pb 0.50000000000000 0.37500000000000 0.66666666666667 207.200 > 25 47 Pb 0.50000000000000 0.62500000000000 0.66666666666667 207.200 > 25 48 Pb 0.50000000000000 0.87500000000000 0.66666666666667 207.200 > 25 49 I 0.86996369494035 0.12500000000000 0.23089270114258 126.904 > 49 50 I 0.86996369494035 0.37500000000000 0.23089270114258 126.904 > 49 51 I 0.86996369494035 0.62500000000000 0.23089270114258 126.904 > 49 52 I 0.86996369494035 0.87500000000000 0.23089270114258 126.904 > 49 53 I 0.86996369494035 0.12500000000000 0.56422603447591 126.904 > 49 54 I 0.86996369494035 0.37500000000000 0.56422603447591 126.904 > 49 55 I 0.86996369494035 0.62500000000000 0.56422603447591 126.904 > 49 56 I 0.86996369494035 0.87500000000000 0.56422603447591 126.904 > 49 57 I 0.86996369494035 0.12500000000000 0.89755936780924 126.904 > 49 58 I 0.86996369494035 0.37500000000000 0.89755936780924 126.904 > 49 59 I 0.86996369494035 0.62500000000000 0.89755936780924 126.904 > 49 60 I 0.86996369494035 0.87500000000000 0.89755936780924 126.904 > 49 61 I 0.87393983263334 0.00000000000000 0.07189216792914 126.904 > 61 62 I 0.87393983263334 0.25000000000000 0.07189216792914 126.904 > 61 63 I 0.87393983263334 0.50000000000000 0.07189216792914 126.904 > 61 64 I 0.87393983263334 0.75000000000000 0.07189216792914 126.904 > 61 65 I 0.87393983263334 0.00000000000000 0.40522550126247 126.904 > 61 66 I 0.87393983263334 0.25000000000000 0.40522550126247 126.904 > 61 67 I 0.87393983263334 0.50000000000000 0.40522550126247 126.904 > 61 68 I 0.87393983263334 0.75000000000000 0.40522550126247 126.904 > 61 69 I 0.87393983263334 0.00000000000000 0.73855883459580 126.904 > 61 70 I 0.87393983263334 0.25000000000000 0.73855883459580 126.904 > 61 71 I 0.87393983263334 0.50000000000000 0.73855883459580 126.904 > 61 72 I 0.87393983263334 0.75000000000000 0.73855883459580 126.904 > 61 73 I 0.63003630505965 0.00000000000000 0.10244063219076 126.904 > 73 74 I 0.63003630505965 0.25000000000000 0.10244063219076 126.904 > 73 75 I 0.63003630505965 0.50000000000000 0.10244063219076 126.904 > 73 76 I 0.63003630505965 0.75000000000000 0.10244063219076 126.904 > 73 77 I 0.63003630505965 0.00000000000000 0.43577396552409 126.904 > 73 78 I 0.63003630505965 0.25000000000000 0.43577396552409 126.904 > 73 79 I 0.63003630505965 0.50000000000000 0.43577396552409 126.904 > 73 80 I 0.63003630505965 0.75000000000000 0.43577396552409 126.904 > 73 81 I 0.63003630505965 0.00000000000000 0.76910729885742 126.904 > 73 82 I 0.63003630505965 0.25000000000000 0.76910729885742 126.904 > 73 83 I 0.63003630505965 0.50000000000000 0.76910729885742 126.904 > 73 84 I 0.63003630505965 0.75000000000000 0.76910729885742 126.904 > 73 85 I 0.62606016736666 0.12500000000000 0.26144116540420 126.904 > 85 86 I 0.62606016736666 0.37500000000000 0.26144116540420 126.904 > 85 87 I 0.62606016736666 0.62500000000000 0.26144116540420 126.904 > 85 88 I 0.62606016736666 0.87500000000000 0.26144116540420 126.904 > 85 89 I 0.62606016736666 0.12500000000000 0.59477449873753 126.904 > 85 90 I 0.62606016736666 0.37500000000000 0.59477449873753 126.904 > 85 91 I 0.62606016736666 0.62500000000000 0.59477449873753 126.904 > 85 92 I 0.62606016736666 0.87500000000000 0.59477449873753 126.904 > 85 93 I 0.62606016736666 0.12500000000000 0.92810783207086 126.904 > 85 94 I 0.62606016736666 0.37500000000000 0.92810783207086 126.904 > 85 95 I 0.62606016736666 0.62500000000000 0.92810783207086 126.904 > 85 96 I 0.62606016736666 0.87500000000000 0.92810783207086 126.904 > 85 97 I 0.36996369494036 0.00000000000000 0.23089270114258 126.904 > 49 98 I 0.36996369494036 0.25000000000000 0.23089270114258 126.904 > 49 99 I 0.36996369494036 0.50000000000000 0.23089270114258 126.904 > 49 100 I 0.36996369494036 0.75000000000000 0.23089270114258 126.904 > 49 101 I 0.36996369494036 0.00000000000000 0.56422603447591 126.904 > 49 102 I 0.36996369494036 0.25000000000000 0.56422603447591 126.904 > 49 103 I 0.36996369494036 0.50000000000000 0.56422603447591 126.904 > 49 104 I 0.36996369494036 0.75000000000000 0.56422603447591 126.904 > 49 105 I 0.36996369494036 0.00000000000000 0.89755936780924 126.904 > 49 106 I 0.36996369494036 0.25000000000000 0.89755936780924 126.904 > 49 107 I 0.36996369494036 0.50000000000000 0.89755936780924 126.904 > 49 108 I 0.36996369494036 0.75000000000000 0.89755936780924 126.904 > 49 109 I 0.37393983263334 0.12500000000000 0.07189216792914 126.904 > 61 110 I 0.37393983263334 0.37500000000000 0.07189216792914 126.904 > 61 111 I 0.37393983263334 0.62500000000000 0.07189216792914 126.904 > 61 112 I 0.37393983263334 0.87500000000000 0.07189216792914 126.904 > 61 113 I 0.37393983263334 0.12500000000000 0.40522550126247 126.904 > 61 114 I 0.37393983263334 0.37500000000000 0.40522550126247 126.904 > 61 115 I 0.37393983263334 0.62500000000000 0.40522550126247 126.904 > 61 116 I 0.37393983263334 0.87500000000000 0.40522550126247 126.904 > 61 117 I 0.37393983263334 0.12500000000000 0.73855883459580 126.904 > 61 118 I 0.37393983263334 0.37500000000000 0.73855883459580 126.904 > 61 119 I 0.37393983263334 0.62500000000000 0.73855883459580 126.904 > 61 120 I 0.37393983263334 0.87500000000000 0.73855883459580 126.904 > 61 121 I 0.13003630505965 0.12500000000000 0.10244063219076 126.904 > 73 122 I 0.13003630505965 0.37500000000000 0.10244063219076 126.904 > 73 123 I 0.13003630505965 0.62500000000000 0.10244063219076 126.904 > 73 124 I 0.13003630505965 0.87500000000000 0.10244063219076 126.904 > 73 125 I 0.13003630505965 0.12500000000000 0.43577396552409 126.904 > 73 126 I 0.13003630505965 0.37500000000000 0.43577396552409 126.904 > 73 127 I 0.13003630505965 0.62500000000000 0.43577396552409 126.904 > 73 128 I 0.13003630505965 0.87500000000000 0.43577396552409 126.904 > 73 129 I 0.13003630505965 0.12500000000000 0.76910729885742 126.904 > 73 130 I 0.13003630505965 0.37500000000000 0.76910729885742 126.904 > 73 131 I 0.13003630505965 0.62500000000000 0.76910729885742 126.904 > 73 132 I 0.13003630505965 0.87500000000000 0.76910729885742 126.904 > 73 133 I 0.12606016736666 0.00000000000000 0.26144116540420 126.904 > 85 134 I 0.12606016736666 0.25000000000000 0.26144116540420 126.904 > 85 135 I 0.12606016736666 0.50000000000000 0.26144116540420 126.904 > 85 136 I 0.12606016736666 0.75000000000000 0.26144116540420 126.904 > 85 137 I 0.12606016736666 0.00000000000000 0.59477449873753 126.904 > 85 138 I 0.12606016736666 0.25000000000000 0.59477449873753 126.904 > 85 139 I 0.12606016736666 0.50000000000000 0.59477449873753 126.904 > 85 140 I 0.12606016736666 0.75000000000000 0.59477449873753 126.904 > 85 141 I 0.12606016736666 0.00000000000000 0.92810783207086 126.904 > 85 142 I 0.12606016736666 0.25000000000000 0.92810783207086 126.904 > 85 143 I 0.12606016736666 0.50000000000000 0.92810783207086 126.904 > 85 144 I 0.12606016736666 0.75000000000000 0.92810783207086 126.904 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4321023 0.0000000 -0.3698366 0.0000000 5.3716462 0.0000000 -0.3698365 0.0000000 5.0092710 -------------------------- Born effective charges -------------------------- 1 Ca 1.4609269 0.0000000 -0.6643095 0.0000000 2.4213065 0.0000000 -0.5544263 0.0000000 2.4398581 2 Pb 2.3780176 0.0000000 -0.6226000 0.0000000 3.9726779 0.0000000 -0.7327684 0.0000000 3.1668517 3 I -0.7804173 0.0000000 0.0639176 0.0000000 -2.0144481 0.0000000 0.1415963 0.0000000 -1.4744841 4 I -1.1390549 0.0000000 0.5795371 0.0000000 -1.1825441 0.0000000 0.5020010 0.0000000 -1.3288707 5 I -0.7804173 0.0000000 0.0639176 0.0000000 -2.0144481 0.0000000 0.1415963 0.0000000 -1.4744841 6 I -1.1390549 0.0000000 0.5795371 0.0000000 -1.1825441 0.0000000 0.5020010 0.0000000 -1.3288707 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxy) 0.00000000 (xxy) 0.00000000 (xyx) Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) --------------------------- 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 7 ] 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: 0.66, Number of G-points: 287, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/277) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 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 0.843 ( 0.000 0.000 0.000) 0.000 1.023 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 1.944 ( 0.000 0.000 0.000) 0.000 1.992 ( 0.000 0.000 0.000) 0.000 2.145 ( 0.000 0.000 0.000) 0.000 2.308 ( 0.000 0.000 0.000) 0.000 2.413 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 5.256 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/277) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.157 ( 2.689 -7.574 1.389) 8.156 0.257 ( 1.262 -13.554 0.060) 13.613 0.421 ( 1.236 -20.866 2.304) 21.029 0.849 ( -0.062 -0.608 0.850) 1.047 1.129 ( 0.116 -9.820 0.248) 9.824 1.676 ( -0.376 0.572 0.493) 0.843 2.003 ( -0.086 -1.041 -0.296) 1.086 2.118 ( -0.019 2.446 -0.606) 2.520 2.294 ( -0.047 1.386 -0.146) 1.394 2.388 ( -3.360 1.091 2.019) 4.069 2.473 ( -0.100 -1.537 1.277) 2.001 2.574 ( -0.137 0.777 -4.272) 4.345 2.667 ( -3.199 -4.218 -9.229) 10.639 2.730 ( -1.910 -2.744 -7.889) 8.568 2.883 ( -0.222 4.302 14.945) 15.553 5.230 ( -11.972 -2.662 6.973) 14.109 5.375 ( 0.208 -5.938 -27.930) 28.555 5.613 ( 2.162 9.650 14.908) 17.890 ======================= Grid point 2 (3/277) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( 2.746 -7.370 0.985) 7.927 0.516 ( 0.981 -13.588 0.133) 13.624 0.783 ( 0.538 -16.603 1.306) 16.663 0.874 ( -0.405 -2.017 0.861) 2.230 1.349 ( -0.061 -12.662 -0.011) 12.663 1.662 ( -0.548 0.800 0.723) 1.210 2.018 ( -0.166 -0.476 -0.858) 0.996 2.068 ( 0.098 2.459 0.434) 2.499 2.257 ( -0.053 2.686 0.235) 2.697 2.366 ( -1.122 0.304 0.555) 1.288 2.511 ( 0.473 -1.896 -0.184) 1.963 2.544 ( 0.468 1.588 -0.812) 1.844 2.648 ( -0.629 2.134 -0.613) 2.308 2.726 ( -0.778 2.561 -6.471) 7.002 2.888 ( -2.865 -3.398 5.541) 7.103 5.227 ( -0.623 0.758 1.096) 1.471 5.346 ( -1.313 8.057 -4.892) 9.517 5.523 ( -2.072 -2.261 0.764) 3.160 ======================= Grid point 3 (4/277) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 2.230 -6.220 -0.397) 6.620 0.765 ( 0.231 -12.512 0.020) 12.515 0.922 ( -0.817 -3.247 -0.181) 3.353 1.041 ( -0.428 -10.830 -0.462) 10.848 1.566 ( -0.616 -10.133 -0.385) 10.159 1.646 ( -0.401 0.648 0.276) 0.811 2.008 ( 0.190 0.930 -1.226) 1.551 2.036 ( 0.027 1.733 1.632) 2.381 2.195 ( -0.083 3.906 0.390) 3.927 2.368 ( 0.349 -0.539 0.173) 0.665 2.507 ( 0.112 1.355 -0.651) 1.507 2.532 ( 0.197 1.929 -0.311) 1.964 2.603 ( -0.212 2.299 -0.193) 2.317 2.654 ( 0.785 1.607 0.357) 1.824 2.960 ( -3.308 -4.459 -0.980) 5.638 5.103 ( 0.175 14.638 0.741) 14.658 5.208 ( 0.991 1.495 0.204) 1.805 5.616 ( -3.284 -7.401 -3.175) 8.698 ======================= Grid point 4 (5/277) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 1.009 -4.471 -2.251) 5.106 0.960 ( -0.399 -5.288 -0.402) 5.318 0.991 ( -1.043 -7.691 -0.847) 7.807 1.184 ( -0.898 -5.688 -2.112) 6.134 1.618 ( -1.212 1.122 0.156) 1.659 1.719 ( -0.380 -5.912 -1.407) 6.089 1.985 ( 0.772 2.311 -0.122) 2.440 2.006 ( 0.027 1.169 1.061) 1.579 2.118 ( -0.137 4.276 0.818) 4.356 2.385 ( 0.987 -0.636 -0.365) 1.230 2.469 ( 0.169 2.845 0.385) 2.876 2.490 ( 0.239 0.535 -0.063) 0.589 2.569 ( 0.128 1.170 0.225) 1.199 2.674 ( 0.886 -1.539 1.308) 2.205 3.005 ( -2.495 -2.467 -2.054) 4.066 4.848 ( 0.132 12.281 0.473) 12.291 5.187 ( 0.926 1.342 0.247) 1.649 5.717 ( -2.363 -5.579 -2.621) 6.601 ======================= Grid point 5 (6/277) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 0.020 -2.533 -2.421) 3.504 0.999 ( -0.362 -1.207 -0.937) 1.570 1.136 ( -0.829 -6.450 0.215) 6.507 1.246 ( -0.501 -2.406 -2.142) 3.260 1.584 ( -0.933 1.678 -0.643) 2.025 1.787 ( -0.672 -2.334 -0.825) 2.565 1.931 ( 0.527 3.041 0.441) 3.118 2.005 ( 0.490 -0.175 -0.025) 0.521 2.052 ( -0.203 2.693 1.139) 2.931 2.390 ( 0.598 0.199 -0.644) 0.901 2.449 ( 0.454 0.142 0.456) 0.659 2.491 ( 0.048 -0.239 0.287) 0.376 2.561 ( 0.529 0.074 0.430) 0.686 2.704 ( 0.455 -0.731 1.096) 1.394 3.019 ( -1.345 -0.874 -1.432) 2.150 4.670 ( -0.000 6.689 0.056) 6.690 5.171 ( 0.517 0.829 0.214) 1.001 5.779 ( -1.249 -2.752 -1.517) 3.382 ======================= Grid point 6 (7/277) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 0.000 -0.000 0.000) 0.000 1.007 ( 0.000 -0.000 0.000) 0.000 1.199 ( 0.000 -0.000 0.000) 0.000 1.264 ( 0.000 -0.000 0.000) 0.000 1.560 ( 0.000 -0.000 -0.000) 0.000 1.805 ( 0.000 -0.000 0.000) 0.000 1.901 ( 0.000 -0.000 0.000) 0.000 2.006 ( 0.000 -0.000 0.000) 0.000 2.030 ( 0.000 -0.000 0.000) 0.000 2.389 ( 0.000 -0.000 0.000) 0.000 2.451 ( 0.000 -0.000 0.000) 0.000 2.494 ( 0.000 -0.000 0.000) 0.000 2.565 ( 0.000 -0.000 0.000) 0.000 2.713 ( 0.000 -0.000 0.000) 0.000 3.021 ( 0.000 -0.000 0.000) 0.000 4.607 ( 0.000 -0.000 0.000) 0.000 5.165 ( 0.000 -0.000 0.000) 0.000 5.799 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/277) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.090 ( 4.520 0.000 7.132) 8.443 0.093 ( 4.721 0.000 7.221) 8.628 0.162 ( 10.928 0.000 7.876) 13.470 0.849 ( 0.121 0.000 1.926) 1.929 1.028 ( 0.449 0.000 0.697) 0.829 1.681 ( -0.549 -0.000 0.607) 0.818 1.949 ( 0.575 0.000 0.843) 1.021 1.990 ( -0.245 -0.000 -0.340) 0.419 2.139 ( -0.290 -0.000 -1.298) 1.330 2.306 ( -0.212 -0.000 -0.517) 0.558 2.409 ( 0.392 0.000 -1.856) 1.897 2.479 ( 8.623 0.000 -13.463) 15.988 2.611 ( -0.357 -0.000 -0.509) 0.621 2.727 ( -0.414 -0.000 -0.812) 0.911 3.004 ( -11.931 -0.000 22.964) 25.878 4.692 ( 0.015 0.000 0.025) 0.029 5.317 ( 11.771 0.000 -20.983) 24.059 5.811 ( -9.630 -0.000 18.389) 20.758 ======================= Grid point 15 (9/277) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.217 ( 5.786 -5.782 3.209) 8.787 0.283 ( 2.828 -12.046 1.367) 12.449 0.467 ( 2.960 -18.084 4.930) 18.977 0.857 ( -0.134 -0.257 2.333) 2.351 1.134 ( 0.329 -9.598 0.657) 9.626 1.674 ( -0.941 0.557 1.343) 1.732 1.998 ( -0.193 -1.024 -0.776) 1.299 2.111 ( -0.036 1.949 -1.592) 2.517 2.292 ( -0.188 0.902 -0.514) 1.055 2.334 ( -10.389 -6.100 3.883) 12.657 2.471 ( -3.671 -6.493 0.719) 7.494 2.506 ( 5.111 -5.407 -16.932) 18.495 2.600 ( -1.294 -0.515 -1.719) 2.212 2.704 ( -0.581 1.542 -1.589) 2.289 2.945 ( -2.797 4.740 12.062) 13.258 5.060 ( -15.341 -19.476 -3.319) 25.014 5.308 ( 6.168 0.507 -13.343) 14.709 5.687 ( -1.040 10.753 9.718) 14.531 ======================= Grid point 16 (10/277) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 4.655 -5.804 1.846) 7.666 0.531 ( 1.504 -12.827 0.433) 12.922 0.800 ( 0.628 -14.999 2.003) 15.145 0.875 ( -0.619 -1.412 1.513) 2.160 1.348 ( -0.108 -12.236 -0.045) 12.237 1.660 ( -0.887 0.827 1.211) 1.714 2.011 ( 0.017 -0.396 -1.127) 1.194 2.071 ( -0.119 1.835 0.446) 1.893 2.256 ( -0.334 2.572 0.241) 2.605 2.357 ( -1.348 -0.911 1.044) 1.933 2.515 ( 0.692 -1.032 -0.602) 1.381 2.543 ( 0.645 0.489 -1.687) 1.871 2.631 ( -1.505 -0.589 -1.985) 2.560 2.676 ( -1.190 -1.078 -5.769) 5.989 2.888 ( -3.524 1.350 6.059) 7.138 5.221 ( -2.705 -3.088 1.959) 4.548 5.295 ( -0.589 0.753 -7.385) 7.446 5.510 ( -1.665 5.877 1.464) 6.282 ======================= Grid point 17 (11/277) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 2.816 -4.467 -0.693) 5.325 0.768 ( 0.241 -11.852 0.136) 11.855 0.911 ( -0.985 -2.692 -0.215) 2.875 1.032 ( -0.713 -9.715 -0.706) 9.767 1.556 ( -0.718 -9.663 -0.407) 9.698 1.642 ( -0.671 0.720 0.186) 1.002 2.005 ( 0.607 0.562 -1.058) 1.343 2.044 ( -0.340 1.601 1.630) 2.310 2.196 ( -0.198 3.753 0.436) 3.783 2.374 ( 0.631 -0.956 0.283) 1.179 2.504 ( 0.327 1.229 -0.913) 1.565 2.533 ( 0.296 2.044 -0.208) 2.076 2.599 ( -0.216 1.968 -0.325) 2.007 2.666 ( 1.043 0.226 0.444) 1.156 2.911 ( -4.543 -4.357 -1.339) 6.436 5.110 ( 0.192 14.404 1.134) 14.450 5.223 ( 1.443 1.619 0.426) 2.210 5.554 ( -4.167 -8.482 -4.338) 10.398 ======================= Grid point 18 (12/277) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 0.552 -3.374 -3.095) 4.612 0.953 ( -0.367 -3.516 -0.782) 3.620 0.975 ( -1.026 -9.254 -0.415) 9.320 1.160 ( -1.014 -5.551 -2.536) 6.187 1.606 ( -1.331 1.332 0.192) 1.893 1.706 ( -0.482 -5.711 -1.609) 5.953 1.993 ( 1.050 1.804 -0.379) 2.121 2.012 ( -0.246 1.390 1.414) 1.998 2.122 ( -0.115 4.183 0.900) 4.281 2.396 ( 1.305 -0.425 -0.243) 1.394 2.473 ( 0.029 2.447 0.461) 2.490 2.493 ( 0.396 0.575 -0.089) 0.703 2.573 ( 0.323 0.787 0.320) 0.909 2.692 ( 0.916 -1.338 1.423) 2.157 2.962 ( -2.986 -3.477 -2.472) 5.207 4.853 ( 0.110 12.601 0.584) 12.615 5.200 ( 1.127 1.634 0.306) 2.008 5.673 ( -2.685 -6.832 -3.039) 7.945 ======================= Grid point 19 (13/277) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -0.344 -3.045 -2.610) 4.025 0.989 ( -0.445 -1.606 -1.027) 1.957 1.131 ( -0.611 -6.766 0.473) 6.810 1.228 ( -0.468 -3.173 -2.319) 3.958 1.571 ( -0.872 1.386 -0.632) 1.755 1.775 ( -0.650 -2.725 -0.803) 2.914 1.938 ( 0.466 3.324 0.406) 3.381 2.010 ( 0.394 -0.036 0.101) 0.409 2.056 ( -0.206 2.793 0.933) 2.952 2.397 ( 1.186 0.559 -0.242) 1.333 2.452 ( -0.230 0.240 0.430) 0.544 2.494 ( 0.288 -0.128 0.115) 0.336 2.570 ( 0.578 0.213 0.391) 0.730 2.715 ( 0.447 -0.239 1.103) 1.214 2.995 ( -1.465 -2.076 -1.514) 2.957 4.670 ( -0.017 6.790 0.055) 6.790 5.178 ( 0.547 1.191 0.220) 1.329 5.757 ( -1.239 -3.939 -1.514) 4.399 ======================= Grid point 20 (14/277) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -0.111 -1.033 0.072) 1.042 1.006 ( -0.106 -0.590 -0.044) 0.601 1.200 ( 0.158 -0.253 -0.005) 0.298 1.263 ( -0.049 -1.053 -0.038) 1.055 1.561 ( 0.096 -0.961 0.006) 0.966 1.804 ( -0.099 -0.762 -0.101) 0.775 1.902 ( 0.029 0.485 0.000) 0.486 2.007 ( -0.063 0.341 0.423) 0.547 2.028 ( -0.046 0.257 -0.427) 0.501 2.393 ( 0.703 0.361 0.379) 0.876 2.447 ( -0.692 0.247 0.004) 0.735 2.495 ( 0.231 0.176 -0.155) 0.329 2.564 ( -0.074 0.605 -0.071) 0.614 2.713 ( 0.056 0.644 0.033) 0.647 3.020 ( -0.131 -1.262 -0.078) 1.271 4.607 ( 0.000 -0.034 -0.000) 0.034 5.165 ( 0.021 0.364 0.005) 0.365 5.799 ( 0.007 -1.153 0.006) 1.153 ======================= Grid point 21 (15/277) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -0.248 2.376 1.656) 2.906 1.007 ( 0.268 0.819 0.642) 1.075 1.144 ( 0.700 6.087 -0.034) 6.127 1.262 ( 0.391 1.723 1.495) 2.314 1.596 ( 0.721 -1.902 0.478) 2.089 1.798 ( 0.518 1.897 0.622) 2.062 1.923 ( -0.436 -2.741 -0.353) 2.798 2.001 ( -0.421 0.389 0.126) 0.587 2.048 ( 0.135 -2.717 -1.006) 2.900 2.392 ( 0.082 0.318 0.993) 1.046 2.438 ( -0.879 -0.164 -0.631) 1.095 2.489 ( 0.051 0.355 -0.308) 0.473 2.555 ( -0.295 -0.081 -0.322) 0.444 2.694 ( -0.373 1.229 -0.811) 1.519 3.038 ( 0.925 -0.191 1.008) 1.381 4.669 ( -0.011 -6.591 -0.041) 6.591 5.165 ( -0.361 -0.522 -0.153) 0.653 5.798 ( 0.922 1.722 1.113) 2.248 ======================= Grid point 22 (16/277) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -0.776 5.263 1.144) 5.441 0.966 ( 0.302 6.116 0.228) 6.128 1.004 ( 0.604 7.031 0.559) 7.079 1.201 ( 0.531 5.807 1.201) 5.954 1.628 ( 0.729 -1.034 -0.088) 1.268 1.729 ( 0.201 6.197 0.824) 6.254 1.979 ( -0.401 -2.912 0.006) 2.939 2.000 ( -0.106 -0.829 -0.571) 1.012 2.115 ( 0.085 -4.357 -0.500) 4.386 2.380 ( -0.489 0.999 0.314) 1.155 2.465 ( -0.190 -3.423 -0.242) 3.437 2.489 ( -0.097 -0.542 0.014) 0.551 2.568 ( 0.045 -1.444 -0.074) 1.446 2.660 ( -0.600 1.731 -0.816) 2.006 3.035 ( 1.419 1.750 1.159) 2.533 4.845 ( -0.094 -12.055 -0.261) 12.058 5.178 ( -0.516 -1.150 -0.138) 1.268 5.749 ( 1.386 4.632 1.513) 5.066 ======================= Grid point 23 (17/277) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( -0.852 7.113 0.122) 7.165 0.763 ( -0.100 12.937 0.002) 12.937 0.929 ( 0.313 3.572 0.070) 3.587 1.046 ( 0.144 11.529 0.167) 11.531 1.572 ( 0.249 10.566 0.167) 10.570 1.648 ( 0.123 -0.775 -0.139) 0.797 2.015 ( 0.106 -1.254 1.367) 1.859 2.026 ( -0.190 -1.714 -1.514) 2.295 2.194 ( 0.009 -3.930 -0.163) 3.933 2.365 ( -0.093 0.228 -0.049) 0.251 2.509 ( -0.013 -1.545 0.233) 1.562 2.532 ( -0.074 -1.561 0.141) 1.569 2.605 ( 0.089 -2.408 0.055) 2.410 2.646 ( -0.302 -2.619 -0.129) 2.639 2.988 ( 1.222 4.377 0.361) 4.559 5.098 ( -0.078 -14.765 -0.254) 14.767 5.200 ( -0.348 -1.455 -0.060) 1.498 5.653 ( 1.266 6.571 1.179) 6.795 ======================= Grid point 24 (18/277) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( -0.000 7.977 -0.000) 7.977 0.511 ( -0.000 13.861 -0.000) 13.861 0.777 ( -0.000 17.252 -0.000) 17.252 0.873 ( -0.000 2.242 -0.000) 2.242 1.349 ( -0.000 12.828 -0.000) 12.828 1.663 ( 0.000 -0.806 0.000) 0.806 2.022 ( -0.000 0.631 -0.000) 0.631 2.066 ( 0.000 -2.825 0.000) 2.825 2.256 ( 0.000 -2.721 0.000) 2.721 2.371 ( 0.000 -0.817 0.000) 0.817 2.509 ( -0.000 2.338 -0.000) 2.338 2.543 ( 0.000 -1.988 0.000) 1.988 2.653 ( 0.000 -2.525 0.000) 2.525 2.751 ( 0.000 -6.552 0.000) 6.552 2.886 ( -0.000 6.731 -0.000) 6.731 5.226 ( 0.000 -1.390 0.000) 1.390 5.367 ( 0.000 -13.434 0.000) 13.434 5.534 ( -0.000 6.443 -0.000) 6.443 ======================= Grid point 27 (19/277) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.174 ( 4.060 0.000 6.404) 7.582 0.179 ( 4.198 0.000 6.536) 7.768 0.314 ( 9.822 0.000 7.308) 12.243 0.867 ( 0.214 0.000 3.358) 3.365 1.040 ( 0.769 0.000 1.198) 1.424 1.679 ( -1.103 -0.000 1.645) 1.981 1.965 ( 1.088 0.000 1.427) 1.794 1.984 ( -0.481 -0.000 -0.485) 0.683 2.127 ( -0.284 -0.000 -1.839) 1.861 2.298 ( -0.406 -0.000 -0.973) 1.054 2.403 ( 0.563 0.000 -1.746) 1.834 2.491 ( 3.859 0.000 -5.191) 6.468 2.602 ( -0.695 -0.000 -0.875) 1.117 2.714 ( -0.715 -0.000 -1.392) 1.565 3.015 ( -5.282 -0.000 11.851) 12.975 4.693 ( 0.026 0.000 0.044) 0.051 5.319 ( 5.712 0.000 -9.931) 11.456 5.819 ( -4.261 -0.000 9.463) 10.378 ======================= Grid point 28 (20/277) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( 6.653 -5.722 3.480) 9.440 0.327 ( 2.776 -9.395 3.668) 10.461 0.529 ( 3.263 -14.431 4.801) 15.555 0.872 ( -0.077 0.321 3.211) 3.228 1.142 ( 0.451 -9.117 0.834) 9.166 1.672 ( -1.096 0.562 1.829) 2.205 1.991 ( -0.163 -1.099 -0.950) 1.462 2.100 ( -0.051 1.151 -2.059) 2.359 2.246 ( -7.778 -14.295 1.629) 16.355 2.286 ( -0.505 0.879 -0.566) 1.162 2.434 ( 0.682 -5.233 -5.297) 7.477 2.502 ( 2.459 -0.821 -3.609) 4.443 2.584 ( -0.978 0.909 -0.760) 1.536 2.688 ( -0.745 1.758 -1.540) 2.453 2.973 ( -2.647 4.545 8.338) 9.858 4.928 ( -7.098 -18.658 -3.094) 20.201 5.304 ( 3.813 1.506 -6.717) 7.869 5.719 ( -1.302 10.271 6.315) 12.128 ======================= Grid point 29 (21/277) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 5.498 -3.666 2.543) 7.080 0.551 ( 1.490 -11.776 0.802) 11.896 0.815 ( 0.022 -13.177 1.762) 13.294 0.879 ( -0.509 -0.649 1.769) 1.952 1.347 ( -0.115 -11.710 -0.087) 11.711 1.658 ( -0.943 0.962 1.327) 1.891 2.007 ( 0.438 -0.551 -0.995) 1.219 2.070 ( -0.515 1.326 0.305) 1.455 2.252 ( -0.670 2.284 0.049) 2.381 2.352 ( -0.860 -2.203 1.269) 2.684 2.518 ( 0.715 -0.398 -0.982) 1.278 2.536 ( 0.705 -1.565 -3.020) 3.474 2.595 ( -2.288 -5.682 -2.462) 6.602 2.644 ( -0.722 1.140 -2.243) 2.618 2.885 ( -3.015 4.595 4.623) 7.182 5.184 ( -4.535 -11.600 -0.621) 12.471 5.269 ( 1.553 2.391 -4.021) 4.929 5.505 ( -0.833 11.222 1.361) 11.335 ======================= Grid point 30 (22/277) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 2.515 -1.965 -0.879) 3.310 0.772 ( 0.187 -11.195 0.330) 11.201 0.901 ( -0.725 -2.091 -0.135) 2.217 1.018 ( -0.944 -8.654 -0.898) 8.752 1.547 ( -0.601 -9.383 -0.320) 9.408 1.635 ( -0.790 1.082 0.017) 1.339 2.008 ( 1.012 0.341 -0.950) 1.429 2.047 ( -0.784 1.298 1.538) 2.159 2.196 ( -0.224 3.434 0.370) 3.461 2.383 ( 0.707 -1.283 0.277) 1.491 2.504 ( 0.585 1.075 -0.944) 1.546 2.536 ( 0.339 1.901 0.121) 1.934 2.595 ( -0.124 1.504 -0.361) 1.552 2.680 ( 1.219 -1.226 0.347) 1.763 2.854 ( -4.840 -3.808 -1.374) 6.310 5.119 ( 0.198 14.190 1.307) 14.252 5.242 ( 1.596 1.887 0.772) 2.590 5.485 ( -3.986 -9.425 -4.599) 11.219 ======================= Grid point 31 (23/277) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -0.126 -2.314 -3.183) 3.937 0.941 ( -0.682 -2.697 -1.232) 3.042 0.969 ( -0.233 -9.810 0.490) 9.825 1.136 ( -0.880 -5.456 -2.358) 6.008 1.594 ( -1.102 1.630 0.181) 1.975 1.692 ( -0.451 -5.683 -1.393) 5.869 2.002 ( 1.199 1.551 -0.726) 2.091 2.016 ( -0.602 1.408 1.588) 2.206 2.126 ( -0.044 4.122 0.767) 4.193 2.408 ( 1.227 -0.541 -0.135) 1.348 2.475 ( 0.041 2.643 0.439) 2.680 2.497 ( 0.353 0.496 -0.026) 0.609 2.579 ( 0.360 0.394 0.291) 0.608 2.709 ( 0.815 -1.114 1.215) 1.838 2.918 ( -2.759 -4.593 -2.279) 5.822 4.857 ( 0.063 12.941 0.541) 12.953 5.213 ( 1.035 1.977 0.293) 2.251 5.630 ( -2.307 -8.076 -2.661) 8.811 ======================= Grid point 32 (24/277) ======================= q-point: ( 0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -0.475 -3.806 -2.037) 4.342 0.979 ( -0.430 -1.958 -0.814) 2.164 1.129 ( -0.277 -6.882 0.576) 6.911 1.212 ( -0.324 -3.830 -1.885) 4.281 1.560 ( -0.596 1.103 -0.456) 1.334 1.765 ( -0.471 -2.998 -0.578) 3.089 1.944 ( 0.311 3.545 0.281) 3.570 2.014 ( 0.227 0.015 0.136) 0.265 2.059 ( -0.141 2.975 0.582) 3.034 2.410 ( 1.497 0.700 -0.025) 1.652 2.449 ( -0.834 0.411 0.381) 1.005 2.498 ( 0.348 -0.049 -0.007) 0.352 2.577 ( 0.421 0.426 0.254) 0.651 2.725 ( 0.363 0.139 0.829) 0.915 2.973 ( -1.175 -3.106 -1.178) 3.524 4.670 ( -0.023 6.866 0.039) 6.867 5.184 ( 0.419 1.512 0.165) 1.578 5.738 ( -0.902 -4.969 -1.107) 5.170 ======================= Grid point 33 (25/277) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -0.111 -1.774 0.071) 1.779 1.005 ( -0.103 -1.047 -0.043) 1.053 1.202 ( 0.157 -0.411 -0.005) 0.440 1.262 ( -0.051 -1.847 -0.039) 1.848 1.562 ( 0.097 -1.660 0.006) 1.663 1.803 ( -0.098 -1.286 -0.098) 1.293 1.902 ( 0.026 0.813 -0.003) 0.813 2.009 ( -0.068 0.549 0.576) 0.798 2.025 ( -0.037 0.495 -0.577) 0.761 2.406 ( 1.163 0.559 0.532) 1.396 2.437 ( -1.129 0.481 -0.166) 1.238 2.497 ( 0.201 0.320 -0.139) 0.403 2.563 ( -0.069 1.023 -0.071) 1.028 2.714 ( 0.056 1.143 0.033) 1.145 3.018 ( -0.132 -2.205 -0.079) 2.210 4.607 ( 0.000 -0.058 -0.000) 0.058 5.165 ( 0.021 0.631 0.005) 0.632 5.799 ( 0.007 -1.997 0.006) 1.997 ======================= Grid point 34 (26/277) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -0.140 2.390 0.582) 2.464 1.012 ( 0.106 0.563 0.229) 0.617 1.149 ( 0.269 5.863 0.009) 5.869 1.271 ( 0.149 1.318 0.535) 1.430 1.603 ( 0.272 -2.019 0.177) 2.045 1.804 ( 0.198 1.581 0.233) 1.610 1.918 ( -0.173 -2.527 -0.137) 2.537 1.998 ( -0.168 0.568 0.076) 0.597 2.044 ( 0.045 -2.788 -0.413) 2.819 2.401 ( 0.422 1.054 0.818) 1.399 2.425 ( -0.710 -0.570 -0.644) 1.115 2.488 ( 0.019 0.434 -0.130) 0.453 2.552 ( -0.074 -0.156 -0.115) 0.207 2.688 ( -0.151 1.557 -0.301) 1.593 3.049 ( 0.328 -0.819 0.361) 0.953 4.669 ( -0.006 -6.529 -0.015) 6.529 5.162 ( -0.128 -0.347 -0.055) 0.374 5.809 ( 0.339 1.125 0.408) 1.244 ======================= Grid point 35 (27/277) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -0.000 5.546 -0.000) 5.546 0.968 ( -0.000 6.371 -0.000) 6.371 1.009 ( -0.000 6.846 -0.000) 6.846 1.208 ( -0.000 5.854 -0.000) 5.854 1.632 ( 0.000 -1.019 0.000) 1.019 1.732 ( -0.000 6.336 -0.000) 6.336 1.977 ( 0.000 -3.206 0.000) 3.206 1.998 ( 0.000 -0.645 0.000) 0.645 2.114 ( 0.000 -4.388 0.000) 4.388 2.378 ( -0.000 1.187 -0.000) 1.187 2.463 ( 0.000 -3.698 0.000) 3.698 2.488 ( 0.000 -0.566 0.000) 0.566 2.568 ( 0.000 -1.551 0.000) 1.551 2.654 ( -0.000 1.827 -0.000) 1.827 3.046 ( -0.000 1.488 -0.000) 1.488 4.844 ( 0.000 -11.972 0.000) 11.972 5.175 ( 0.000 -1.084 0.000) 1.084 5.760 ( -0.000 4.277 -0.000) 4.277 ======================= Grid point 40 (28/277) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.246 ( 3.324 0.000 5.240) 6.205 0.253 ( 3.388 0.000 5.413) 6.386 0.446 ( 8.024 0.000 6.268) 10.182 0.890 ( 0.318 0.000 3.828) 3.841 1.056 ( 0.876 0.000 1.371) 1.627 1.678 ( -1.074 -0.000 2.028) 2.295 1.974 ( -0.267 -0.000 -1.082) 1.114 1.988 ( 1.041 0.000 2.315) 2.539 2.115 ( 0.059 0.000 -1.588) 1.589 2.287 ( -0.549 -0.000 -1.284) 1.396 2.401 ( 0.579 0.000 -1.031) 1.182 2.497 ( 1.899 0.000 -3.119) 3.652 2.588 ( -0.924 -0.000 -1.009) 1.369 2.697 ( -0.832 -0.000 -1.603) 1.806 3.029 ( -2.891 -0.000 7.669) 8.196 4.693 ( 0.030 0.000 0.051) 0.059 5.321 ( 3.467 0.000 -5.941) 6.878 5.831 ( -2.290 -0.000 6.222) 6.630 ======================= Grid point 41 (29/277) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 3.183 -8.606 1.890) 9.368 0.398 ( 5.018 -6.069 5.835) 9.801 0.583 ( 2.429 -10.313 3.335) 11.108 0.891 ( 0.083 0.940 3.241) 3.375 1.152 ( 0.439 -8.510 0.750) 8.554 1.673 ( -0.896 0.625 1.825) 2.127 1.985 ( -0.053 -1.371 -0.792) 1.585 2.088 ( -0.092 0.361 -1.816) 1.854 2.199 ( -3.403 -13.256 1.761) 13.799 2.276 ( -0.575 0.419 -0.922) 1.164 2.420 ( 0.827 -2.724 -2.778) 3.977 2.504 ( 1.128 -0.808 -2.167) 2.573 2.569 ( -1.011 0.973 -0.733) 1.583 2.671 ( -0.736 1.678 -1.445) 2.334 2.989 ( -1.888 4.696 5.548) 7.510 4.863 ( -3.257 -15.496 -1.760) 15.932 5.306 ( 2.431 1.565 -3.956) 4.900 5.737 ( -0.894 10.056 4.252) 10.954 ======================= Grid point 42 (30/277) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 5.215 -1.207 2.762) 6.023 0.570 ( 1.104 -10.757 0.933) 10.854 0.818 ( -0.901 -11.928 0.861) 11.993 0.885 ( -0.213 0.050 1.537) 1.552 1.345 ( -0.084 -11.239 -0.107) 11.240 1.656 ( -0.762 1.201 1.083) 1.788 2.009 ( 0.886 -0.852 -0.695) 1.412 2.064 ( -0.913 1.054 0.188) 1.407 2.244 ( -0.653 1.880 -0.110) 1.993 2.353 ( -0.358 -3.140 1.122) 3.354 2.518 ( 0.262 -1.360 -1.102) 1.770 2.525 ( 1.283 -3.906 -3.878) 5.652 2.564 ( -2.329 -5.181 -0.032) 5.681 2.629 ( -0.491 1.759 -1.144) 2.155 2.880 ( -2.118 6.625 2.948) 7.555 5.136 ( -3.164 -14.907 -1.418) 15.305 5.268 ( 1.199 2.880 -1.651) 3.530 5.506 ( -0.334 13.868 0.943) 13.904 ======================= Grid point 43 (31/277) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 1.605 0.746 -0.773) 1.932 0.775 ( 0.106 -10.658 0.391) 10.665 0.896 ( -0.215 -1.640 0.031) 1.654 1.003 ( -0.937 -8.035 -0.876) 8.136 1.540 ( -0.376 -9.311 -0.200) 9.321 1.627 ( -0.648 1.571 -0.075) 1.701 2.015 ( 1.249 0.389 -0.888) 1.581 2.046 ( -1.110 0.848 1.324) 1.925 2.196 ( -0.146 3.070 0.253) 3.084 2.391 ( 0.511 -1.454 0.174) 1.551 2.505 ( 0.620 0.835 -0.750) 1.282 2.541 ( 0.327 1.742 0.401) 1.817 2.593 ( -0.026 1.096 -0.275) 1.131 2.695 ( 1.547 -2.954 0.194) 3.340 2.799 ( -4.347 -2.579 -1.096) 5.172 5.129 ( 0.193 14.141 1.103) 14.185 5.264 ( 1.457 2.623 1.169) 3.221 5.423 ( -3.076 -10.564 -3.978) 11.700 ======================= Grid point 44 (32/277) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -0.350 -1.595 -2.080) 2.645 0.928 ( -0.526 -3.104 -0.781) 3.243 0.973 ( 0.139 -9.124 0.527) 9.140 1.117 ( -0.524 -5.425 -1.485) 5.649 1.586 ( -0.616 1.899 0.113) 2.000 1.682 ( -0.274 -5.759 -0.810) 5.822 2.010 ( 1.209 1.613 -1.065) 2.280 2.017 ( -0.905 1.192 1.551) 2.156 2.129 ( 0.003 4.102 0.444) 4.126 2.418 ( 0.726 -0.895 -0.072) 1.155 2.478 ( 0.113 3.324 0.271) 3.337 2.500 ( 0.156 0.267 0.039) 0.311 2.583 ( 0.229 0.113 0.168) 0.306 2.722 ( 0.554 -0.830 0.734) 1.239 2.883 ( -1.739 -5.601 -1.423) 6.035 4.860 ( 0.025 13.210 0.329) 13.214 5.223 ( 0.628 2.281 0.187) 2.374 5.598 ( -1.333 -9.013 -1.558) 9.243 ======================= Grid point 45 (33/277) ======================= q-point: ( 0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -0.220 -4.392 -0.774) 4.465 0.972 ( -0.184 -2.180 -0.310) 2.210 1.130 ( -0.063 -6.859 0.283) 6.865 1.201 ( -0.115 -4.217 -0.755) 4.285 1.554 ( -0.208 0.926 -0.166) 0.964 1.759 ( -0.172 -3.136 -0.210) 3.148 1.948 ( 0.109 3.670 0.100) 3.673 2.016 ( 0.070 0.021 0.061) 0.095 2.060 ( -0.048 3.113 0.195) 3.119 2.426 ( 1.482 0.583 -0.050) 1.594 2.440 ( -1.240 0.678 0.220) 1.430 2.500 ( 0.148 -0.010 -0.017) 0.150 2.581 ( 0.151 0.581 0.086) 0.606 2.731 ( 0.149 0.349 0.312) 0.491 2.960 ( -0.458 -3.708 -0.450) 3.764 4.670 ( -0.010 6.906 0.014) 6.906 5.188 ( 0.157 1.701 0.061) 1.709 5.727 ( -0.329 -5.565 -0.405) 5.589 ======================= Grid point 46 (34/277) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 0.000 -2.040 0.000) 2.040 1.004 ( 0.000 -1.224 0.000) 1.224 1.203 ( 0.000 -0.459 0.000) 0.459 1.262 ( 0.000 -2.147 0.000) 2.147 1.562 ( 0.000 -1.915 0.000) 1.915 1.802 ( 0.000 -1.465 0.000) 1.465 1.902 ( -0.000 0.924 -0.000) 0.924 2.011 ( -0.000 0.590 -0.000) 0.590 2.022 ( -0.000 0.620 -0.000) 0.620 2.420 ( -0.000 0.397 -0.000) 0.397 2.425 ( -0.000 0.797 -0.000) 0.797 2.498 ( -0.000 0.380 -0.000) 0.380 2.562 ( -0.000 1.166 -0.000) 1.166 2.714 ( -0.000 1.337 -0.000) 1.337 3.017 ( 0.000 -2.557 0.000) 2.557 4.607 ( 0.000 -0.067 0.000) 0.067 5.165 ( -0.000 0.729 -0.000) 0.729 5.799 ( 0.000 -2.307 0.000) 2.307 ======================= Grid point 53 (35/277) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( 2.356 0.000 3.714) 4.398 0.310 ( 2.368 0.000 3.888) 4.552 0.549 ( 5.642 0.000 4.669) 7.324 0.915 ( 0.371 0.000 3.259) 3.280 1.072 ( 0.749 0.000 1.180) 1.397 1.680 ( -0.729 -0.000 1.805) 1.947 1.965 ( -0.373 -0.000 -0.808) 0.890 2.012 ( 1.139 0.000 2.064) 2.358 2.110 ( 0.423 0.000 -0.991) 1.077 2.273 ( -0.579 -0.000 -1.314) 1.436 2.403 ( 0.477 0.000 -0.220) 0.525 2.494 ( 0.700 0.000 -2.384) 2.485 2.572 ( -0.897 -0.000 -0.880) 1.256 2.680 ( -0.727 -0.000 -1.399) 1.577 3.042 ( -1.607 -0.000 4.839) 5.099 4.694 ( 0.026 0.000 0.044) 0.051 5.322 ( 2.082 0.000 -3.586) 4.146 5.842 ( -1.219 -0.000 4.047) 4.226 ======================= Grid point 54 (36/277) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 1.756 -7.475 1.740) 7.873 0.476 ( 4.069 -9.375 4.387) 11.122 0.615 ( 1.048 -5.354 1.529) 5.666 0.909 ( 0.192 1.423 2.390) 2.788 1.159 ( 0.314 -7.974 0.491) 7.995 1.674 ( -0.539 0.740 1.334) 1.618 1.981 ( 0.024 -1.814 -0.477) 1.876 2.079 ( -0.030 0.220 -1.067) 1.090 2.188 ( -0.986 -11.402 1.498) 11.543 2.264 ( -0.600 0.221 -0.950) 1.146 2.416 ( 0.560 -1.628 -1.125) 2.057 2.501 ( 0.375 -1.104 -1.555) 1.944 2.556 ( -0.814 0.941 -0.556) 1.363 2.657 ( -0.526 1.537 -1.040) 1.929 2.999 ( -1.110 4.973 3.207) 6.021 4.832 ( -1.464 -13.375 -0.881) 13.484 5.308 ( 1.386 1.469 -2.181) 2.972 5.750 ( -0.484 10.029 2.535) 10.356 ======================= Grid point 55 (37/277) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 3.518 1.351 1.935) 4.237 0.583 ( 0.545 -10.084 0.712) 10.124 0.809 ( -1.160 -12.006 0.031) 12.062 0.890 ( -0.050 0.688 0.885) 1.122 1.344 ( -0.042 -10.922 -0.077) 10.923 1.654 ( -0.422 1.437 0.597) 1.612 2.016 ( 1.023 -1.337 -0.375) 1.725 2.054 ( -1.020 1.185 0.124) 1.569 2.238 ( -0.351 1.608 -0.113) 1.650 2.356 ( -0.104 -3.683 0.658) 3.743 2.510 ( 0.160 -6.739 -1.717) 6.956 2.524 ( 1.547 -1.408 -2.040) 2.922 2.545 ( -2.170 -3.287 1.140) 4.100 2.620 ( -0.242 1.721 -0.549) 1.823 2.876 ( -1.086 7.768 1.414) 7.970 5.105 ( -1.539 -15.824 -0.839) 15.920 5.271 ( 0.601 2.855 -0.645) 2.989 5.508 ( -0.101 15.084 0.471) 15.091 ======================= Grid point 56 (38/277) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 0.528 2.575 -0.312) 2.648 0.778 ( 0.028 -10.295 0.173) 10.296 0.896 ( 0.040 -1.396 0.072) 1.398 0.992 ( -0.432 -7.897 -0.398) 7.918 1.537 ( -0.125 -9.344 -0.069) 9.345 1.622 ( -0.252 1.927 -0.044) 1.944 2.022 ( 0.849 0.745 -0.569) 1.265 2.041 ( -0.805 0.282 0.729) 1.122 2.196 ( -0.046 2.834 0.092) 2.836 2.395 ( 0.179 -1.507 0.056) 1.519 2.507 ( 0.263 0.647 -0.296) 0.758 2.546 ( 0.163 1.669 0.240) 1.694 2.592 ( 0.005 0.872 -0.101) 0.878 2.715 ( 1.873 -6.487 0.187) 6.755 2.755 ( -2.949 0.726 -0.567) 3.090 5.135 ( 0.090 14.217 0.443) 14.225 5.283 ( 0.794 4.577 0.888) 4.729 5.381 ( -1.373 -12.749 -1.930) 12.967 ======================= Grid point 57 (39/277) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 0.000 -1.348 0.000) 1.348 0.923 ( 0.000 -3.216 0.000) 3.216 0.975 ( 0.000 -8.881 0.000) 8.881 1.110 ( 0.000 -5.426 0.000) 5.426 1.583 ( -0.000 2.009 -0.000) 2.009 1.678 ( 0.000 -5.806 0.000) 5.806 2.014 ( -0.000 2.705 -0.000) 2.705 2.016 ( -0.000 0.047 -0.000) 0.047 2.130 ( -0.000 4.102 -0.000) 4.102 2.421 ( 0.000 -1.096 0.000) 1.096 2.480 ( -0.000 3.742 -0.000) 3.742 2.501 ( -0.000 0.110 -0.000) 0.110 2.585 ( -0.000 0.013 -0.000) 0.013 2.727 ( 0.000 -0.649 0.000) 0.649 2.869 ( 0.000 -6.067 0.000) 6.067 4.861 ( -0.000 13.314 -0.000) 13.314 5.227 ( -0.000 2.409 -0.000) 2.409 5.587 ( 0.000 -9.368 0.000) 9.368 ======================= Grid point 67 (40/277) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.336 ( 1.222 0.000 1.926) 2.281 0.346 ( 1.215 0.000 2.038) 2.373 0.615 ( 2.890 0.000 2.516) 3.831 0.933 ( 0.271 0.000 1.855) 1.874 1.084 ( 0.430 0.000 0.678) 0.803 1.683 ( -0.335 -0.000 1.059) 1.111 1.958 ( -0.232 -0.000 -0.461) 0.516 2.032 ( 0.736 0.000 1.308) 1.501 2.111 ( 0.417 0.000 -0.432) 0.601 2.261 ( -0.400 -0.000 -0.887) 0.973 2.408 ( 0.308 0.000 0.274) 0.413 2.486 ( 0.068 0.000 -1.578) 1.580 2.560 ( -0.549 -0.000 -0.510) 0.750 2.667 ( -0.421 -0.000 -0.818) 0.920 3.051 ( -0.734 -0.000 2.369) 2.480 4.694 ( 0.015 0.000 0.025) 0.029 5.323 ( 0.989 0.000 -1.727) 1.990 5.851 ( -0.530 -0.000 2.037) 2.105 ======================= Grid point 68 (41/277) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 0.580 -6.945 0.660) 7.000 0.526 ( 1.711 -14.036 1.838) 14.259 0.625 ( 0.065 0.098 0.227) 0.255 0.920 ( 0.104 1.678 0.878) 1.897 1.163 ( 0.114 -7.664 0.166) 7.666 1.676 ( -0.174 0.835 0.488) 0.982 1.979 ( 0.020 -2.179 -0.155) 2.184 2.075 ( 0.013 0.488 -0.327) 0.587 2.189 ( -0.115 -10.726 0.629) 10.745 2.255 ( -0.293 0.354 -0.457) 0.648 2.417 ( 0.211 -1.120 -0.239) 1.165 2.496 ( 0.043 -1.423 -0.625) 1.555 2.547 ( -0.312 0.941 -0.208) 1.013 2.649 ( -0.188 1.433 -0.379) 1.494 3.003 ( -0.366 5.159 1.052) 5.278 4.820 ( -0.425 -12.389 -0.268) 12.399 5.310 ( 0.453 1.388 -0.705) 1.622 5.756 ( -0.150 10.051 0.850) 10.088 ======================= Grid point 69 (42/277) ======================= q-point: ( 0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 0.000 -2.346 0.000) 2.346 0.590 ( 0.000 -4.742 0.000) 4.742 0.801 ( 0.000 -12.583 0.000) 12.583 0.893 ( -0.000 0.974 -0.000) 0.974 1.343 ( 0.000 -10.811 0.000) 10.811 1.654 ( -0.000 1.534 -0.000) 1.534 2.022 ( 0.000 -1.911 0.000) 1.911 2.048 ( -0.000 1.645 -0.000) 1.645 2.236 ( -0.000 1.527 -0.000) 1.527 2.358 ( 0.000 -3.864 0.000) 3.864 2.505 ( 0.000 -7.663 0.000) 7.663 2.532 ( 0.000 -2.022 0.000) 2.022 2.532 ( 0.000 -2.008 0.000) 2.008 2.617 ( -0.000 1.666 -0.000) 1.666 2.874 ( -0.000 8.141 -0.000) 8.141 5.095 ( 0.000 -16.009 0.000) 16.009 5.273 ( -0.000 2.833 -0.000) 2.833 5.509 ( -0.000 15.440 -0.000) 15.440 ======================= Grid point 82 (43/277) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 151 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( 0.000 0.000 0.000) 0.000 0.358 ( 0.000 0.000 0.000) 0.000 0.637 ( 0.000 0.000 0.000) 0.000 0.940 ( 0.000 0.000 0.000) 0.000 1.088 ( 0.000 0.000 0.000) 0.000 1.684 ( 0.000 0.000 0.000) 0.000 1.956 ( 0.000 0.000 0.000) 0.000 2.040 ( 0.000 0.000 0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 2.256 ( 0.000 0.000 -0.000) 0.000 2.411 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.556 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 5.323 ( 0.000 0.000 0.000) 0.000 5.854 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/277) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.219 ( 4.675 0.000 9.766) 10.827 0.282 ( -3.060 -0.000 12.907) 13.264 0.419 ( -7.485 -0.000 19.389) 20.784 0.841 ( 3.744 0.000 -0.389) 3.764 1.015 ( 1.748 0.000 -0.857) 1.947 1.658 ( 3.343 0.000 -2.755) 4.332 1.942 ( 1.189 0.000 -0.230) 1.211 2.000 ( -0.524 -0.000 0.731) 0.899 2.110 ( 1.156 0.000 -2.920) 3.140 2.300 ( -0.553 -0.000 -0.718) 0.906 2.431 ( -2.257 -0.000 1.745) 2.853 2.599 ( -0.138 -0.000 -1.376) 1.383 2.698 ( -9.751 -0.000 2.937) 10.184 2.706 ( -0.298 -0.000 -1.961) 1.984 3.412 ( -7.893 -0.000 1.455) 8.026 4.691 ( 0.080 0.000 -0.061) 0.101 5.337 ( -9.677 -0.000 -0.721) 9.703 6.045 ( -4.715 -0.000 -0.001) 4.715 ======================= Grid point 152 (45/277) ======================= q-point: ( 0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.250 ( 2.875 -3.139 7.447) 8.577 0.392 ( -0.946 -6.007 10.364) 12.016 0.614 ( -3.549 -14.605 12.588) 19.605 0.858 ( 3.060 -0.037 -0.227) 3.068 1.120 ( 1.573 -9.442 -1.100) 9.635 1.660 ( 2.937 0.682 -2.308) 3.797 1.979 ( 0.168 -1.435 -1.576) 2.138 2.070 ( 0.185 -0.779 -2.440) 2.568 2.226 ( 3.529 -12.553 -6.592) 14.611 2.291 ( -0.376 0.474 -0.716) 0.937 2.433 ( -2.512 -1.158 1.324) 3.067 2.576 ( -1.109 2.153 -0.742) 2.533 2.638 ( -6.301 0.923 3.162) 7.110 2.682 ( -0.465 1.679 -1.932) 2.602 3.197 ( -6.013 11.739 9.531) 16.273 4.955 ( 0.401 -18.115 -10.024) 20.707 5.291 ( -5.794 0.464 0.696) 5.854 5.845 ( -4.055 14.582 5.487) 16.099 ======================= Grid point 153 (46/277) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 2.103 -5.197 3.480) 6.598 0.557 ( 0.380 -9.293 4.745) 10.441 0.875 ( 1.629 -0.789 -0.943) 2.041 0.893 ( -2.859 -12.825 7.483) 15.121 1.331 ( 0.795 -12.037 -1.633) 12.173 1.648 ( 2.234 1.304 -2.324) 3.477 1.994 ( -0.043 -0.355 -1.089) 1.146 2.072 ( 0.051 -0.234 -0.008) 0.239 2.264 ( -0.386 2.106 0.055) 2.142 2.361 ( 0.808 -1.746 -1.376) 2.366 2.481 ( -0.404 -4.438 -1.925) 4.854 2.527 ( -0.857 1.612 -0.322) 1.853 2.631 ( -0.962 0.819 -0.649) 1.421 2.641 ( -1.216 -0.544 -0.862) 1.586 3.018 ( -3.697 7.515 5.087) 9.799 5.185 ( 1.290 -7.393 -5.106) 9.077 5.266 ( -2.332 0.181 -0.543) 2.401 5.572 ( -3.781 11.938 2.310) 12.734 ======================= Grid point 154 (47/277) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 0.234 -3.779 0.851) 3.881 0.750 ( 1.201 -9.885 -0.484) 9.969 0.899 ( 0.234 -1.925 -1.950) 2.750 1.085 ( -3.255 -7.732 3.747) 9.188 1.538 ( 0.306 -9.895 -2.180) 10.137 1.622 ( 1.319 1.537 -2.586) 3.285 1.989 ( 0.125 0.388 -0.585) 0.713 2.073 ( -0.312 0.728 1.895) 2.054 2.210 ( -0.452 3.379 0.692) 3.478 2.373 ( 0.442 -0.213 0.347) 0.601 2.497 ( -0.396 0.442 -0.183) 0.621 2.530 ( 0.002 0.288 0.104) 0.306 2.594 ( -0.105 1.399 -0.520) 1.496 2.663 ( 1.152 -0.461 0.556) 1.360 2.923 ( -3.090 0.741 -2.328) 3.939 5.128 ( 0.805 14.668 1.453) 14.762 5.220 ( 0.536 0.809 0.962) 1.367 5.523 ( -3.867 -7.622 -5.100) 9.953 ======================= Grid point 155 (48/277) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -1.437 -3.691 -1.025) 4.091 0.924 ( 1.490 -8.560 -4.447) 9.761 0.938 ( -0.131 -2.919 -1.565) 3.315 1.179 ( -2.446 -3.695 0.685) 4.484 1.583 ( 0.705 1.344 -3.286) 3.620 1.691 ( -0.599 -6.416 -1.059) 6.531 1.982 ( 0.365 0.431 -0.064) 0.569 2.047 ( -0.514 2.434 2.763) 3.718 2.141 ( -0.488 4.058 1.064) 4.223 2.379 ( 1.119 0.162 -0.061) 1.132 2.488 ( -0.115 2.555 1.435) 2.933 2.499 ( -0.417 -0.229 0.695) 0.842 2.578 ( 0.054 0.453 0.678) 0.817 2.687 ( 1.995 -1.009 -0.232) 2.248 2.925 ( -1.271 -2.342 -5.209) 5.851 4.860 ( 0.231 13.213 0.562) 13.227 5.206 ( 0.175 1.111 1.474) 1.854 5.645 ( -1.960 -7.339 -3.745) 8.469 ======================= Grid point 156 (49/277) ======================= q-point: ( 0.42 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -1.464 -4.701 -0.043) 4.924 0.981 ( -0.370 -2.445 -0.773) 2.591 1.069 ( 2.277 -7.056 -5.404) 9.175 1.211 ( -0.008 -0.659 -2.095) 2.196 1.564 ( -0.592 -0.217 -0.902) 1.101 1.774 ( -0.770 -3.253 -0.388) 3.365 1.962 ( -0.701 2.149 2.067) 3.064 2.013 ( 0.344 1.075 1.216) 1.660 2.069 ( -0.574 3.262 0.340) 3.330 2.380 ( 1.244 0.127 -0.210) 1.268 2.459 ( 0.238 0.938 0.682) 1.184 2.507 ( -0.729 -0.333 1.016) 1.294 2.575 ( 0.183 0.355 0.789) 0.884 2.705 ( 1.603 0.138 -1.018) 1.904 2.950 ( 0.554 -2.069 -4.853) 5.304 4.671 ( -0.022 6.914 0.073) 6.914 5.191 ( -0.312 0.873 1.592) 1.842 5.742 ( -0.772 -4.560 -1.787) 4.958 ======================= Grid point 157 (50/277) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -1.096 -2.920 2.208) 3.821 1.014 ( -0.439 -1.169 0.612) 1.391 1.154 ( 2.190 0.191 -3.922) 4.496 1.212 ( 2.309 -2.305 -4.323) 5.416 1.580 ( -0.822 -1.294 1.545) 2.177 1.808 ( -0.318 -0.814 0.311) 0.927 1.935 ( -1.590 0.365 2.859) 3.291 2.011 ( 0.559 -0.174 0.449) 0.737 2.022 ( -0.520 1.406 -0.577) 1.607 2.388 ( 0.842 -0.423 -0.023) 0.943 2.447 ( 0.029 0.733 -0.488) 0.881 2.506 ( -0.783 0.280 0.903) 1.228 2.568 ( -0.238 0.528 0.282) 0.644 2.692 ( 1.092 1.334 -1.829) 2.513 2.979 ( 1.923 -1.682 -3.701) 4.497 4.608 ( -0.042 -0.042 0.076) 0.097 5.182 ( -0.837 0.237 1.533) 1.762 5.794 ( 0.212 -1.552 -0.361) 1.607 ======================= Grid point 158 (51/277) ======================= q-point: (-0.42 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -1.976 1.429 3.183) 4.010 1.017 ( -0.395 1.030 0.636) 1.273 1.087 ( 2.851 5.848 -3.452) 7.366 1.265 ( 1.159 -1.398 -1.451) 2.324 1.593 ( 0.421 0.196 0.591) 0.752 1.805 ( 0.222 1.628 0.693) 1.784 1.949 ( -1.524 -1.818 2.041) 3.130 2.001 ( -0.720 0.181 -0.229) 0.777 2.042 ( 0.370 -2.877 0.463) 2.938 2.400 ( 0.168 -0.127 -0.023) 0.212 2.432 ( -0.528 -0.223 -0.946) 1.106 2.498 ( -0.589 0.246 0.784) 1.011 2.561 ( -0.589 -0.050 0.445) 0.740 2.665 ( 0.884 1.380 -2.458) 2.954 3.005 ( 2.675 -0.484 -2.714) 3.841 4.669 ( -0.012 -6.478 0.026) 6.478 5.184 ( -1.221 -0.594 1.385) 1.939 5.796 ( 1.023 1.740 0.035) 2.019 ======================= Grid point 159 (52/277) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -3.170 5.207 2.763) 6.693 0.942 ( 1.340 8.859 -2.026) 9.186 0.983 ( 0.772 3.877 -0.827) 4.039 1.242 ( -0.915 4.351 2.007) 4.878 1.590 ( 2.073 0.398 -2.084) 2.966 1.734 ( 0.053 6.314 -0.221) 6.318 1.982 ( -0.198 -1.446 -0.302) 1.491 2.013 ( -1.124 -1.719 1.945) 2.828 2.119 ( 0.082 -4.576 0.888) 4.662 2.383 ( -0.584 1.032 -0.686) 1.369 2.473 ( -0.598 -4.147 0.801) 4.266 2.499 ( -0.385 -0.472 0.573) 0.836 2.571 ( -0.200 -1.220 0.563) 1.359 2.637 ( 0.429 1.115 -2.105) 2.420 3.001 ( 2.975 1.763 -2.344) 4.178 4.843 ( 0.037 -11.944 -0.023) 11.944 5.198 ( -1.466 -1.222 1.306) 2.312 5.740 ( 1.637 4.938 -0.601) 5.237 ======================= Grid point 160 (53/277) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -3.476 7.004 2.550) 8.224 0.744 ( 0.221 11.721 -1.319) 11.797 0.908 ( 1.261 4.231 -1.437) 4.643 1.104 ( -2.460 10.435 4.586) 11.661 1.550 ( 1.633 8.917 -1.915) 9.265 1.616 ( 1.404 1.522 -2.468) 3.222 2.004 ( 0.082 -1.304 -1.278) 1.828 2.043 ( -0.407 -0.960 2.181) 2.417 2.202 ( -0.085 -3.833 0.882) 3.934 2.364 ( 0.029 0.760 -0.201) 0.786 2.515 ( -0.248 -1.286 -0.144) 1.318 2.543 ( -1.017 -1.348 0.847) 1.890 2.604 ( -0.018 -2.070 0.073) 2.071 2.645 ( -0.490 -3.885 -0.614) 3.964 2.960 ( 3.040 3.314 -0.912) 4.589 5.098 ( 0.157 -14.773 0.135) 14.774 5.215 ( -1.261 -0.627 0.977) 1.714 5.637 ( 1.717 6.061 -1.317) 6.436 ======================= Grid point 161 (54/277) ======================= q-point: (-0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( -2.867 7.581 2.723) 8.550 0.521 ( -1.214 11.355 2.000) 11.594 0.846 ( 2.308 3.043 -1.493) 4.101 0.866 ( -3.393 14.582 7.642) 16.809 1.331 ( 0.983 12.899 -1.639) 13.040 1.623 ( 2.913 -0.594 -3.077) 4.279 2.011 ( -0.120 0.426 -1.378) 1.447 2.065 ( 0.488 -1.177 0.229) 1.295 2.263 ( -0.015 -2.420 0.615) 2.497 2.341 ( 2.791 2.980 -1.877) 4.494 2.519 ( -2.481 2.239 0.574) 3.390 2.546 ( -0.408 -2.359 -0.372) 2.423 2.648 ( 0.183 -2.384 -0.522) 2.447 2.706 ( -1.909 -1.643 -3.863) 4.612 2.966 ( 1.891 -3.794 7.793) 8.871 5.185 ( 1.975 5.083 -2.616) 6.049 5.342 ( -1.311 -9.025 -3.039) 9.612 5.589 ( -0.066 -3.794 4.231) 5.683 ======================= Grid point 162 (55/277) ======================= q-point: (-0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.204 ( -1.261 6.056 4.729) 7.786 0.350 ( -2.397 7.204 9.644) 12.274 0.582 ( -4.893 15.181 13.245) 20.732 0.828 ( 3.365 0.650 -1.162) 3.619 1.111 ( 1.448 9.867 -1.373) 10.067 1.642 ( 3.354 -0.524 -2.932) 4.485 1.986 ( 0.205 1.514 -1.690) 2.278 2.082 ( 0.502 0.034 -2.728) 2.774 2.214 ( 6.103 12.357 -6.517) 15.245 2.297 ( -0.198 -0.814 -0.296) 0.889 2.456 ( -3.217 2.012 1.158) 3.967 2.588 ( -0.288 -1.872 -0.916) 2.104 2.688 ( -2.144 -2.747 -0.572) 3.531 2.705 ( -4.661 -1.865 -0.667) 5.065 3.171 ( -0.585 -14.312 12.785) 19.200 4.986 ( 5.291 17.143 -10.378) 20.727 5.379 ( -8.521 -1.764 -3.973) 9.565 5.831 ( 0.075 -16.114 9.024) 18.469 ======================= Grid point 164 (56/277) ======================= q-point: ( 0.08 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( -2.061 -0.000 11.823) 12.002 0.331 ( 6.217 0.000 8.080) 10.195 0.461 ( -5.431 -0.000 18.394) 19.179 0.878 ( 3.252 0.000 0.372) 3.274 1.031 ( 1.934 0.000 -0.583) 2.020 1.675 ( 2.637 0.000 -1.929) 3.267 1.952 ( 1.032 0.000 -0.606) 1.197 2.002 ( -0.124 -0.000 1.396) 1.402 2.101 ( 0.337 0.000 -2.750) 2.771 2.289 ( -0.690 -0.000 -0.998) 1.214 2.420 ( -1.730 -0.000 1.468) 2.269 2.587 ( -0.599 -0.000 -1.511) 1.626 2.628 ( -8.294 -0.000 6.179) 10.343 2.690 ( -0.455 -0.000 -2.160) 2.207 3.316 ( -12.993 -0.000 7.060) 14.787 4.692 ( 0.086 0.000 -0.050) 0.100 5.276 ( -3.175 -0.000 1.502) 3.513 5.984 ( -6.918 -0.000 2.775) 7.454 ======================= Grid point 165 (57/277) ======================= q-point: ( 0.17 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.336 ( 4.562 -1.464 8.025) 9.346 0.444 ( -0.312 -4.910 9.805) 10.970 0.648 ( -3.045 -13.523 10.938) 17.657 0.887 ( 2.388 0.676 0.078) 2.483 1.130 ( 1.526 -8.862 -1.064) 9.055 1.675 ( 2.120 0.857 -1.682) 2.839 1.973 ( 0.241 -1.359 -1.160) 1.803 2.059 ( 0.149 -1.090 -2.144) 2.410 2.215 ( 1.031 -12.303 -4.840) 13.261 2.281 ( -0.597 0.282 -0.867) 1.090 2.419 ( -1.724 -0.618 1.335) 2.266 2.558 ( -1.730 2.058 0.213) 2.697 2.605 ( -4.107 -0.234 3.856) 5.638 2.666 ( -0.446 1.603 -1.916) 2.538 3.173 ( -7.673 8.593 8.035) 14.046 4.897 ( -2.090 -16.903 -5.842) 18.006 5.265 ( -0.994 0.455 1.408) 1.783 5.828 ( -4.125 12.657 3.893) 13.870 ======================= Grid point 166 (58/277) ======================= q-point: ( 0.25 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 4.120 -2.513 3.604) 6.023 0.589 ( 0.216 -8.114 5.302) 9.695 0.883 ( 1.038 0.256 -1.018) 1.476 0.902 ( -3.270 -11.701 6.482) 13.771 1.330 ( 0.744 -11.513 -1.629) 11.652 1.655 ( 1.482 1.681 -2.017) 3.015 1.989 ( 0.239 -0.360 -0.801) 0.910 2.071 ( -0.166 -0.866 -0.241) 0.914 2.258 ( -0.651 1.827 -0.336) 1.968 2.359 ( 0.321 -2.535 -1.093) 2.779 2.468 ( 0.289 -5.328 -2.013) 5.703 2.517 ( -0.652 1.338 -0.218) 1.504 2.617 ( -1.208 -0.014 -0.418) 1.278 2.630 ( -0.900 -0.724 0.650) 1.325 2.998 ( -4.920 8.307 4.122) 10.498 5.154 ( -0.989 -11.988 -5.093) 13.062 5.257 ( -0.045 0.361 1.304) 1.354 5.547 ( -3.138 14.919 1.576) 15.327 ======================= Grid point 167 (59/277) ======================= q-point: ( 0.33 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 1.400 -1.298 0.307) 1.934 0.760 ( 1.039 -8.696 -0.009) 8.758 0.891 ( 0.228 -1.402 -1.685) 2.204 1.072 ( -3.434 -6.978 3.606) 8.572 1.529 ( 0.388 -9.519 -2.169) 9.770 1.619 ( 0.839 1.880 -2.346) 3.121 1.988 ( 0.398 0.205 -0.573) 0.727 2.078 ( -0.631 0.381 1.641) 1.799 2.209 ( -0.528 3.038 0.521) 3.127 2.380 ( 0.584 -0.554 0.325) 0.869 2.494 ( -0.176 0.319 -0.064) 0.369 2.534 ( 0.613 -0.098 0.127) 0.634 2.591 ( -0.027 0.861 -0.205) 0.886 2.678 ( 0.968 -1.687 0.675) 2.059 2.872 ( -3.956 1.545 -2.160) 4.765 5.145 ( 0.405 15.028 1.898) 15.153 5.234 ( 1.299 1.246 0.626) 1.905 5.455 ( -3.770 -9.245 -4.577) 10.983 ======================= Grid point 168 (60/277) ======================= q-point: ( 0.42 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -0.640 -2.894 -0.876) 3.091 0.911 ( 0.888 -6.200 -3.935) 7.397 0.936 ( 1.017 -4.719 -1.242) 4.985 1.161 ( -2.124 -3.805 1.403) 4.577 1.571 ( 0.590 1.461 -3.206) 3.572 1.681 ( -0.342 -6.206 -0.646) 6.248 1.986 ( 0.457 0.293 -0.219) 0.585 2.056 ( -0.822 2.178 2.584) 3.478 2.141 ( -0.550 4.176 0.777) 4.283 2.391 ( 1.319 0.040 -0.044) 1.321 2.492 ( -0.659 0.967 1.211) 1.684 2.501 ( 0.110 1.430 0.888) 1.686 2.583 ( 0.086 0.178 0.647) 0.677 2.704 ( 1.579 -0.766 -0.401) 1.800 2.883 ( -1.053 -3.439 -4.750) 5.958 4.865 ( 0.026 13.593 0.433) 13.600 5.217 ( 0.358 1.363 1.295) 1.914 5.608 ( -1.473 -8.490 -2.793) 9.058 ======================= Grid point 169 (61/277) ======================= q-point: ( 0.50 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -0.807 -5.272 0.775) 5.390 0.974 ( -0.223 -2.821 -0.517) 2.877 1.064 ( 2.569 -6.993 -5.000) 8.972 1.203 ( 0.404 -1.008 -1.425) 1.792 1.555 ( -0.380 -0.569 -0.532) 0.867 1.766 ( -0.532 -3.375 -0.102) 3.419 1.966 ( -0.728 2.211 1.788) 2.935 2.022 ( -0.016 1.068 1.360) 1.730 2.064 ( -0.515 3.460 -0.115) 3.500 2.394 ( 1.511 0.269 -0.030) 1.535 2.463 ( -0.354 1.141 0.544) 1.313 2.505 ( -0.598 -0.267 0.751) 0.996 2.581 ( 0.139 0.528 0.619) 0.826 2.713 ( 1.239 0.487 -1.272) 1.841 2.931 ( 0.950 -2.999 -4.351) 5.370 4.671 ( -0.052 6.964 0.053) 6.964 5.197 ( -0.323 1.166 1.482) 1.913 5.727 ( -0.384 -5.373 -1.136) 5.505 ======================= Grid point 170 (62/277) ======================= q-point: (-0.42 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -1.261 -3.003 2.210) 3.936 1.012 ( -0.539 -1.280 0.525) 1.485 1.156 ( 2.357 -0.296 -3.869) 4.540 1.211 ( 2.348 -2.448 -4.290) 5.469 1.581 ( -0.768 -1.714 1.550) 2.435 1.806 ( -0.298 -1.282 0.373) 1.369 1.935 ( -1.554 0.613 2.835) 3.290 2.011 ( -0.522 1.330 -0.590) 1.546 2.021 ( 0.497 0.037 0.503) 0.708 2.400 ( 1.222 -0.095 0.217) 1.244 2.440 ( -0.635 1.171 -0.891) 1.603 2.504 ( -0.557 0.256 0.818) 1.023 2.567 ( -0.222 0.855 0.362) 0.955 2.693 ( 1.104 1.601 -1.794) 2.646 2.978 ( 1.895 -2.418 -3.660) 4.778 4.608 ( -0.042 -0.061 0.076) 0.106 5.182 ( -0.824 0.498 1.535) 1.812 5.795 ( 0.210 -2.109 -0.361) 2.150 ======================= Grid point 171 (63/277) ======================= q-point: (-0.33 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -2.599 1.915 2.255) 3.938 1.014 ( -0.411 0.978 -0.024) 1.061 1.094 ( 2.521 5.713 -3.802) 7.312 1.265 ( 0.747 -1.470 -2.127) 2.691 1.598 ( 0.128 -0.056 0.043) 0.146 1.808 ( -0.115 1.642 0.254) 1.666 1.947 ( -1.401 -1.773 2.361) 3.269 1.994 ( -0.412 -0.041 -0.198) 0.459 2.051 ( 0.353 -2.794 1.042) 3.003 2.399 ( -0.055 1.200 -1.143) 1.658 2.423 ( -0.212 -1.112 0.084) 1.135 2.498 ( -0.399 0.224 0.969) 1.072 2.559 ( -0.370 -0.114 0.708) 0.807 2.663 ( 1.276 1.620 -1.991) 2.866 3.011 ( 2.030 -0.951 -3.402) 4.074 4.670 ( -0.010 -6.480 0.049) 6.480 5.180 ( -1.057 -0.380 1.507) 1.879 5.802 ( 0.450 1.407 -0.764) 1.663 ======================= Grid point 172 (64/277) ======================= q-point: (-0.25 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -3.254 5.364 1.935) 6.565 0.942 ( 1.190 8.902 -2.563) 9.340 0.982 ( 0.420 3.856 -1.790) 4.272 1.238 ( -1.566 4.168 1.139) 4.596 1.597 ( 1.810 0.037 -2.510) 3.094 1.729 ( -0.330 6.562 -0.786) 6.618 1.979 ( -0.144 -1.274 -0.098) 1.286 2.016 ( -0.757 -2.138 2.349) 3.265 2.126 ( 0.037 -4.378 1.251) 4.553 2.374 ( -0.336 0.761 -0.735) 1.110 2.473 ( -0.411 -4.018 0.995) 4.159 2.499 ( -0.416 -0.319 0.737) 0.904 2.573 ( -0.214 -1.250 0.572) 1.392 2.636 ( 1.282 1.370 -1.413) 2.349 3.009 ( 1.669 1.235 -3.488) 4.059 4.844 ( 0.145 -12.043 0.196) 12.046 5.193 ( -1.102 -1.040 1.468) 2.110 5.742 ( 0.349 4.709 -2.105) 5.170 ======================= Grid point 173 (65/277) ======================= q-point: (-0.17 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -2.602 6.655 2.340) 7.519 0.740 ( 0.656 11.719 -1.360) 11.816 0.910 ( 0.943 3.605 -1.776) 4.128 1.102 ( -2.781 9.869 4.289) 11.114 1.552 ( 0.945 9.876 -2.040) 10.129 1.618 ( 1.768 0.087 -2.637) 3.176 1.998 ( -0.059 -1.003 -1.007) 1.423 2.053 ( -0.194 -1.094 2.211) 2.474 2.206 ( -0.159 -3.741 0.999) 3.876 2.365 ( 0.155 0.205 0.033) 0.259 2.510 ( -0.441 -1.076 -0.224) 1.184 2.537 ( -0.866 -0.848 0.480) 1.304 2.603 ( -0.137 -2.151 -0.325) 2.179 2.642 ( 0.413 -2.544 -0.234) 2.588 2.973 ( 0.883 1.632 -1.627) 2.468 5.103 ( 0.439 -14.630 0.506) 14.645 5.211 ( -0.762 -0.695 1.087) 1.498 5.629 ( -0.679 5.820 -3.296) 6.723 ======================= Grid point 174 (66/277) ======================= q-point: (-0.08 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( -0.571 7.074 3.105) 7.747 0.531 ( -0.132 10.554 3.527) 11.128 0.861 ( 2.076 2.048 -1.106) 3.119 0.878 ( -2.958 13.872 7.892) 16.232 1.332 ( 0.891 12.558 -1.625) 12.694 1.636 ( 2.781 -0.924 -2.708) 3.990 2.002 ( -0.142 0.342 -1.357) 1.406 2.070 ( 0.262 -0.485 0.200) 0.587 2.265 ( -0.146 -2.304 0.475) 2.357 2.356 ( 1.938 1.925 -1.693) 3.214 2.498 ( -1.440 3.303 -0.768) 3.684 2.538 ( -0.743 -2.044 -0.399) 2.211 2.643 ( -0.355 -1.972 -0.818) 2.164 2.667 ( -1.821 0.018 -2.588) 3.165 3.011 ( -1.123 -6.187 6.313) 8.910 5.189 ( 2.150 4.830 -3.413) 6.293 5.304 ( -2.458 -3.677 -2.955) 5.319 5.593 ( -2.910 -8.037 3.010) 9.062 ======================= Grid point 177 (67/277) ======================= q-point: ( 0.17 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -1.871 -0.000 10.167) 10.338 0.431 ( 4.092 0.000 7.654) 8.679 0.515 ( -2.836 -0.000 15.093) 15.357 0.910 ( 2.377 0.000 0.270) 2.393 1.047 ( 1.885 0.000 -0.676) 2.003 1.689 ( 1.696 0.000 -1.247) 2.105 1.954 ( 0.438 0.000 -1.028) 1.118 2.014 ( 0.562 0.000 1.856) 1.939 2.088 ( 0.114 0.000 -2.425) 2.428 2.275 ( -0.711 -0.000 -1.023) 1.246 2.412 ( -1.289 -0.000 1.269) 1.809 2.570 ( -1.328 -0.000 -0.474) 1.410 2.596 ( -4.995 -0.000 5.714) 7.589 2.674 ( -0.446 -0.000 -1.746) 1.802 3.238 ( -10.413 -0.000 7.931) 13.089 4.693 ( 0.084 0.000 -0.053) 0.099 5.273 ( 0.460 0.000 1.247) 1.330 5.939 ( -5.043 -0.000 2.825) 5.780 ======================= Grid point 178 (68/277) ======================= q-point: ( 0.25 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 3.835 -2.260 7.767) 8.953 0.496 ( 0.192 -3.465 8.235) 8.937 0.672 ( -3.572 -11.940 8.845) 15.283 0.907 ( 1.558 1.299 -0.348) 2.058 1.138 ( 1.370 -8.289 -1.212) 8.489 1.683 ( 1.179 1.036 -1.252) 2.008 1.970 ( 0.350 -1.437 -0.736) 1.652 2.049 ( 0.367 -0.907 -1.965) 2.195 2.198 ( 0.152 -11.372 -2.762) 11.704 2.270 ( -0.647 0.112 -0.857) 1.079 2.413 ( -0.886 -0.554 1.264) 1.639 2.545 ( -1.192 1.704 0.436) 2.125 2.590 ( -3.193 -0.479 3.733) 4.936 2.652 ( -0.346 1.464 -1.178) 1.911 3.138 ( -7.130 6.984 6.468) 11.893 4.852 ( -1.711 -14.594 -2.874) 14.973 5.275 ( 0.997 0.568 1.424) 1.829 5.807 ( -3.293 11.621 2.366) 12.308 ======================= Grid point 179 (69/277) ======================= q-point: ( 0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 4.713 0.026 3.007) 5.591 0.619 ( -0.535 -7.267 5.262) 8.988 0.884 ( 0.044 -0.322 -0.761) 0.827 0.899 ( -3.484 -9.847 4.824) 11.506 1.328 ( 0.761 -11.109 -1.590) 11.248 1.656 ( 0.775 1.974 -1.850) 2.815 1.990 ( 0.687 -0.303 -0.642) 0.988 2.066 ( -0.414 -1.300 -0.411) 1.425 2.249 ( -0.653 1.529 -0.345) 1.698 2.356 ( 0.251 -3.685 -1.054) 3.841 2.465 ( 0.912 -5.855 -1.206) 6.047 2.511 ( -0.270 1.262 -0.191) 1.304 2.603 ( -1.150 -0.459 -0.259) 1.265 2.628 ( -1.032 -0.795 1.877) 2.284 2.967 ( -4.965 8.865 3.222) 10.659 5.117 ( -1.291 -14.326 -3.401) 14.781 5.271 ( 0.713 0.647 1.876) 2.108 5.525 ( -2.150 16.542 0.564) 16.690 ======================= Grid point 180 (70/277) ======================= q-point: ( 0.42 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 1.878 1.069 0.265) 2.177 0.769 ( 0.565 -7.753 0.189) 7.776 0.886 ( 0.483 -1.377 -1.257) 1.926 1.057 ( -3.340 -6.864 3.765) 8.511 1.522 ( 0.611 -9.048 -2.147) 9.319 1.613 ( 0.544 1.846 -1.949) 2.739 1.990 ( 0.714 0.187 -0.685) 1.007 2.078 ( -1.044 0.030 1.396) 1.743 2.206 ( -0.515 2.749 0.398) 2.825 2.388 ( 0.567 -0.915 0.226) 1.100 2.493 ( 0.088 0.346 -0.068) 0.364 2.544 ( 1.005 -0.261 0.329) 1.089 2.591 ( 0.070 0.474 0.220) 0.527 2.691 ( 0.760 -3.070 0.645) 3.227 2.819 ( -3.923 2.371 -1.732) 4.900 5.156 ( -0.423 15.614 1.878) 15.732 5.253 ( 1.758 2.224 0.022) 2.835 5.399 ( -2.517 -11.328 -2.922) 11.966 ======================= Grid point 181 (71/277) ======================= q-point: ( 0.50 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 0.349 -2.324 0.575) 2.419 0.900 ( 1.096 -5.511 -3.034) 6.385 0.942 ( 1.210 -5.030 -0.994) 5.268 1.153 ( -1.494 -4.067 2.328) 4.919 1.560 ( 0.718 1.305 -2.977) 3.329 1.678 ( 0.032 -5.946 -0.084) 5.946 1.989 ( 0.479 0.290 -0.389) 0.682 2.059 ( -1.235 1.840 2.311) 3.202 2.138 ( -0.597 4.336 0.404) 4.395 2.404 ( 1.245 -0.235 -0.114) 1.272 2.490 ( -0.727 0.656 0.728) 1.220 2.508 ( -0.049 2.278 1.132) 2.544 2.587 ( -0.014 -0.017 0.492) 0.493 2.714 ( 1.040 -0.417 -0.816) 1.386 2.852 ( -0.044 -4.604 -3.700) 5.907 4.865 ( -0.211 13.706 0.168) 13.708 5.227 ( 0.257 1.660 1.074) 1.993 5.585 ( -0.454 -9.224 -1.328) 9.330 ======================= Grid point 182 (72/277) ======================= q-point: ( 0.58 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -0.125 -5.160 2.150) 5.591 0.972 ( 0.145 -2.914 -0.121) 2.921 1.064 ( 2.562 -6.808 -4.370) 8.486 1.204 ( 0.954 -1.043 -0.784) 1.617 1.551 ( -0.071 -0.894 -0.051) 0.899 1.763 ( -0.196 -3.316 0.284) 3.334 1.968 ( -0.833 2.230 1.589) 2.862 2.028 ( -0.477 1.030 1.326) 1.746 2.058 ( -0.353 3.469 -0.501) 3.522 2.410 ( 1.521 0.242 -0.056) 1.541 2.457 ( -1.154 1.364 0.290) 1.810 2.504 ( -0.235 -0.155 0.483) 0.559 2.585 ( -0.044 0.634 0.406) 0.754 2.715 ( 0.800 0.583 -1.694) 1.962 2.921 ( 1.682 -3.452 -3.514) 5.205 4.671 ( -0.066 6.932 0.031) 6.932 5.201 ( -0.475 1.388 1.354) 1.996 5.722 ( 0.181 -5.691 -0.332) 5.703 ======================= Grid point 183 (73/277) ======================= q-point: (-0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -1.376 -2.274 2.187) 3.442 1.010 ( -0.386 -1.089 0.436) 1.235 1.158 ( 2.306 -0.681 -3.816) 4.511 1.212 ( 2.383 -1.924 -4.195) 5.194 1.581 ( -0.783 -1.671 1.514) 2.387 1.806 ( -0.215 -1.426 0.479) 1.520 1.935 ( -1.541 0.707 2.847) 3.314 2.002 ( -0.271 1.387 -0.746) 1.598 2.029 ( 0.230 -0.254 0.721) 0.798 2.415 ( 1.295 0.086 0.192) 1.312 2.424 ( -1.116 1.462 -1.132) 2.160 2.504 ( -0.257 0.185 0.725) 0.791 2.568 ( -0.192 0.929 0.463) 1.055 2.694 ( 1.025 1.456 -1.795) 2.528 2.977 ( 1.971 -2.507 -3.566) 4.784 4.608 ( -0.042 -0.063 0.076) 0.108 5.182 ( -0.834 0.625 1.530) 1.852 5.795 ( 0.201 -2.101 -0.367) 2.143 ======================= Grid point 184 (74/277) ======================= q-point: (-0.25 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -2.725 2.503 1.317) 3.928 1.008 ( -0.405 1.087 -0.564) 1.290 1.095 ( 2.124 5.950 -4.381) 7.688 1.257 ( 0.327 -1.172 -2.624) 2.892 1.596 ( -0.206 -0.192 -0.527) 0.598 1.805 ( -0.476 1.984 -0.169) 2.048 1.947 ( -1.168 -1.846 2.583) 3.382 1.991 ( -0.037 -0.363 0.083) 0.374 2.061 ( 0.179 -2.812 1.332) 3.117 2.386 ( -0.475 1.223 -1.754) 2.190 2.429 ( 0.530 -1.071 0.850) 1.466 2.501 ( -0.280 0.248 1.122) 1.183 2.561 ( -0.218 -0.145 0.843) 0.883 2.668 ( 1.635 1.493 -1.493) 2.670 3.007 ( 1.373 -0.832 -4.091) 4.395 4.670 ( 0.001 -6.541 0.070) 6.541 5.180 ( -0.839 -0.303 1.607) 1.838 5.797 ( -0.168 1.646 -1.513) 2.243 ======================= Grid point 185 (75/277) ======================= q-point: (-0.17 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -2.794 5.098 0.940) 5.889 0.937 ( 1.170 8.908 -3.129) 9.514 0.971 ( -0.010 3.613 -2.479) 4.382 1.223 ( -2.114 3.957 0.537) 4.519 1.598 ( 1.433 -0.471 -2.919) 3.286 1.719 ( -0.595 6.632 -1.145) 6.757 1.978 ( 0.017 -0.984 0.020) 0.985 2.024 ( -0.493 -2.437 2.665) 3.645 2.133 ( -0.136 -4.168 1.376) 4.391 2.369 ( 0.093 0.294 -0.574) 0.652 2.476 ( -0.226 -3.544 1.168) 3.739 2.499 ( -0.440 -0.042 0.817) 0.929 2.573 ( -0.227 -1.033 0.518) 1.177 2.647 ( 1.959 1.338 -0.704) 2.474 2.996 ( 0.314 1.145 -4.478) 4.633 4.848 ( 0.259 -12.312 0.398) 12.321 5.193 ( -0.647 -0.948 1.566) 1.941 5.723 ( -0.912 5.130 -3.331) 6.184 ======================= Grid point 186 (76/277) ======================= q-point: (-0.08 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -1.251 5.609 1.678) 5.987 0.742 ( 1.037 11.023 -1.035) 11.120 0.907 ( 0.531 2.756 -1.968) 3.428 1.096 ( -3.020 8.847 4.009) 10.172 1.547 ( 0.459 10.114 -2.147) 10.349 1.621 ( 1.732 -0.915 -2.670) 3.311 1.992 ( -0.039 -0.679 -0.743) 1.007 2.063 ( -0.162 -0.994 2.102) 2.331 2.210 ( -0.293 -3.614 0.902) 3.737 2.367 ( 0.256 0.029 0.233) 0.347 2.503 ( -0.503 -0.737 -0.263) 0.930 2.532 ( -0.520 -0.598 0.230) 0.825 2.598 ( -0.155 -1.917 -0.599) 2.014 2.649 ( 1.009 -0.919 0.260) 1.389 2.959 ( -1.360 0.261 -2.149) 2.556 5.113 ( 0.733 -14.547 0.944) 14.596 5.212 ( -0.157 -0.724 1.101) 1.327 5.587 ( -2.778 6.425 -4.662) 8.410 ======================= Grid point 190 (77/277) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( -2.275 -0.000 8.339) 8.644 0.500 ( -0.793 -0.000 10.240) 10.271 0.572 ( 0.306 0.000 8.492) 8.498 0.929 ( 1.378 0.000 -0.592) 1.500 1.061 ( 1.622 0.000 -1.104) 1.962 1.696 ( 0.724 0.000 -0.913) 1.165 1.952 ( 0.197 0.000 -0.902) 0.923 2.031 ( 0.651 0.000 1.372) 1.519 2.078 ( 0.641 0.000 -2.310) 2.397 2.264 ( -0.534 -0.000 -0.640) 0.834 2.409 ( -0.627 -0.000 1.154) 1.313 2.557 ( -0.806 -0.000 -0.226) 0.837 2.583 ( -3.843 -0.000 5.394) 6.623 2.662 ( -0.378 -0.000 -0.713) 0.807 3.185 ( -8.000 -0.000 6.374) 10.229 4.693 ( 0.074 0.000 -0.068) 0.100 5.292 ( 1.559 0.000 1.580) 2.220 5.908 ( -3.688 -0.000 1.505) 3.983 ======================= Grid point 191 (78/277) ======================= q-point: ( 0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 0.143 -5.348 7.788) 9.449 0.545 ( 1.980 -1.141 5.380) 5.846 0.673 ( -4.841 -10.052 6.881) 13.108 0.914 ( 0.750 1.676 -1.397) 2.307 1.144 ( 1.170 -7.900 -1.455) 8.118 1.684 ( 0.336 1.174 -1.179) 1.697 1.971 ( 0.441 -1.769 -0.423) 1.872 2.044 ( 0.765 -0.379 -1.935) 2.115 2.187 ( 0.124 -10.581 -1.791) 10.732 2.260 ( -0.466 0.193 -0.463) 0.684 2.414 ( -0.218 -0.710 1.268) 1.469 2.538 ( -0.467 1.469 0.192) 1.553 2.581 ( -2.830 -0.390 3.968) 4.890 2.646 ( -0.305 1.273 0.166) 1.320 3.101 ( -6.117 6.295 4.673) 9.944 4.827 ( -0.892 -12.892 -1.377) 12.996 5.298 ( 1.368 0.778 2.052) 2.586 5.786 ( -2.590 10.988 0.646) 11.308 ======================= Grid point 192 (79/277) ======================= q-point: ( 0.42 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 3.633 1.915 1.404) 4.340 0.637 ( -1.655 -6.869 4.862) 8.576 0.876 ( -1.978 -5.471 1.710) 6.064 0.887 ( -2.092 -4.786 1.376) 5.401 1.327 ( 0.822 -10.885 -1.534) 11.023 1.650 ( 0.299 2.079 -1.857) 2.804 1.996 ( 1.185 -0.183 -0.652) 1.365 2.058 ( -0.656 -1.462 -0.458) 1.666 2.242 ( -0.419 1.403 -0.091) 1.467 2.352 ( 0.185 -4.763 -1.226) 4.922 2.474 ( 1.501 -6.252 -0.145) 6.431 2.510 ( 0.163 1.280 -0.151) 1.299 2.591 ( -1.014 -0.782 0.192) 1.295 2.629 ( -1.176 -0.455 2.735) 3.011 2.935 ( -4.372 9.113 2.292) 10.364 5.091 ( -0.580 -15.144 -1.930) 15.277 5.291 ( 0.415 1.101 2.629) 2.881 5.508 ( -1.199 16.860 -0.611) 16.913 ======================= Grid point 193 (80/277) ======================= q-point: ( 0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 1.648 2.183 0.612) 2.803 0.773 ( 0.010 -7.275 0.232) 7.278 0.886 ( 0.617 -1.741 -0.925) 2.066 1.048 ( -2.794 -7.309 4.254) 8.907 1.517 ( 0.893 -8.459 -2.131) 8.768 1.609 ( 0.528 1.308 -1.472) 2.038 1.995 ( 0.989 0.348 -0.866) 1.360 2.073 ( -1.425 -0.255 1.216) 1.890 2.203 ( -0.469 2.669 0.264) 2.723 2.394 ( 0.354 -1.257 0.117) 1.311 2.495 ( 0.403 0.436 -0.187) 0.622 2.556 ( 0.673 0.151 0.549) 0.882 2.595 ( 0.094 0.440 0.708) 0.839 2.703 ( 1.037 -5.152 0.464) 5.275 2.774 ( -3.151 3.504 -1.124) 4.845 5.156 ( -1.259 16.214 1.057) 16.297 5.266 ( 1.089 2.150 -0.944) 2.588 5.376 ( -0.000 -12.154 0.023) 12.154 ======================= Grid point 194 (81/277) ======================= q-point: ( 0.58 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 1.204 -2.129 2.661) 3.615 0.899 ( 1.595 -5.599 -2.296) 6.258 0.948 ( 0.805 -4.921 -0.493) 5.010 1.157 ( -0.741 -4.350 3.164) 5.430 1.553 ( 1.040 0.936 -2.639) 2.987 1.681 ( 0.432 -5.679 0.488) 5.716 1.991 ( 0.449 0.417 -0.539) 0.816 2.056 ( -1.625 1.500 1.994) 2.978 2.133 ( -0.625 4.480 0.007) 4.523 2.415 ( 0.854 -0.605 -0.174) 1.060 2.487 ( -0.593 1.457 0.457) 1.638 2.511 ( -0.518 2.172 0.932) 2.420 2.588 ( -0.200 -0.084 0.270) 0.346 2.715 ( 0.367 -0.099 -1.464) 1.513 2.843 ( 1.609 -5.341 -2.214) 6.002 4.862 ( -0.360 13.497 -0.134) 13.502 5.234 ( -0.142 1.881 0.877) 2.080 5.584 ( 0.812 -9.326 0.226) 9.364 ======================= Grid point 195 (82/277) ======================= q-point: (-0.33 -0.75 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 0.345 -4.246 3.528) 5.531 0.976 ( 0.629 -2.675 0.384) 2.775 1.066 ( 2.294 -6.675 -3.767) 8.001 1.213 ( 1.427 -0.767 -0.335) 1.654 1.553 ( 0.238 -1.082 0.433) 1.189 1.765 ( 0.156 -3.096 0.683) 3.175 1.967 ( -0.994 2.192 1.490) 2.831 2.028 ( -0.817 1.021 1.145) 1.738 2.051 ( -0.202 3.208 -0.794) 3.311 2.424 ( 1.244 0.059 -0.228) 1.266 2.443 ( -1.522 1.650 0.076) 2.247 2.505 ( -0.101 -0.110 0.300) 0.335 2.585 ( -0.296 0.599 0.184) 0.694 2.710 ( 0.374 0.431 -2.178) 2.252 2.926 ( 2.530 -3.291 -2.628) 4.913 4.670 ( -0.058 6.837 0.012) 6.837 5.202 ( -0.730 1.474 1.243) 2.062 5.727 ( 0.775 -5.431 0.407) 5.501 ======================= Grid point 196 (83/277) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -1.325 -0.945 2.161) 2.706 1.010 ( -0.143 -0.603 0.430) 0.754 1.159 ( 2.098 -0.886 -3.811) 4.440 1.212 ( 2.378 -0.873 -4.134) 4.848 1.582 ( -0.852 -1.179 1.473) 2.070 1.807 ( -0.145 -1.206 0.528) 1.325 1.935 ( -1.582 0.637 2.871) 3.339 1.997 ( 0.098 1.176 -0.611) 1.329 2.034 ( -0.075 -0.612 0.620) 0.874 2.405 ( -1.023 1.612 -1.306) 2.313 2.429 ( 1.061 -0.002 0.250) 1.090 2.506 ( -0.157 0.058 0.724) 0.743 2.568 ( -0.191 0.771 0.482) 0.929 2.694 ( 0.935 0.910 -1.828) 2.245 2.978 ( 2.075 -1.909 -3.514) 4.506 4.608 ( -0.042 -0.049 0.076) 0.100 5.182 ( -0.856 0.585 1.524) 1.844 5.795 ( 0.194 -1.530 -0.373) 1.587 ======================= Grid point 197 (84/277) ======================= q-point: (-0.17 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -2.465 3.137 0.465) 4.017 1.000 ( -0.413 1.435 -0.872) 1.729 1.088 ( 1.894 6.394 -4.984) 8.325 1.242 ( -0.006 -0.597 -2.796) 2.859 1.588 ( -0.487 -0.196 -0.931) 1.069 1.797 ( -0.748 2.488 -0.444) 2.636 1.952 ( -0.929 -1.972 2.585) 3.382 1.994 ( 0.297 -0.690 0.491) 0.898 2.069 ( -0.136 -2.900 1.233) 3.154 2.374 ( -0.006 0.728 -1.327) 1.514 2.441 ( 0.610 -0.866 0.856) 1.361 2.505 ( -0.318 0.300 1.207) 1.284 2.564 ( -0.096 -0.147 0.896) 0.913 2.679 ( 1.854 1.026 -1.124) 2.399 2.994 ( 0.836 -0.148 -4.645) 4.722 4.670 ( 0.010 -6.656 0.084) 6.656 5.181 ( -0.614 -0.379 1.661) 1.811 5.782 ( -0.655 2.402 -2.007) 3.198 ======================= Grid point 198 (85/277) ======================= q-point: (-0.08 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -2.126 4.493 -0.187) 4.974 0.931 ( 1.393 8.942 -3.629) 9.750 0.954 ( -0.352 3.117 -2.586) 4.065 1.202 ( -2.431 3.769 0.373) 4.501 1.593 ( 1.024 -0.980 -3.192) 3.493 1.705 ( -0.688 6.565 -1.237) 6.716 1.979 ( 0.207 -0.679 0.028) 0.710 2.035 ( -0.398 -2.535 2.803) 3.800 2.138 ( -0.349 -4.045 1.277) 4.257 2.370 ( 0.660 -0.060 -0.270) 0.716 2.481 ( -0.112 -3.018 1.285) 3.283 2.499 ( -0.473 0.235 0.805) 0.962 2.575 ( -0.091 -0.746 0.597) 0.960 2.666 ( 2.175 1.190 -0.313) 2.499 2.966 ( -0.759 1.534 -5.098) 5.378 4.854 ( 0.310 -12.731 0.537) 12.746 5.197 ( -0.193 -0.969 1.570) 1.855 5.688 ( -1.763 6.100 -3.937) 7.471 ======================= Grid point 203 (86/277) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( -3.073 -0.000 6.569) 7.252 0.535 ( -4.864 -0.000 12.499) 13.412 0.611 ( 1.082 0.000 2.292) 2.535 0.931 ( 0.465 0.000 -1.941) 1.996 1.067 ( 1.220 0.000 -1.750) 2.133 1.693 ( -0.110 -0.000 -1.058) 1.064 1.950 ( 0.274 0.000 -0.555) 0.619 2.040 ( 0.146 0.000 0.255) 0.294 2.075 ( 1.363 0.000 -2.443) 2.798 2.258 ( -0.132 -0.000 0.165) 0.212 2.411 ( -0.224 -0.000 1.131) 1.153 2.551 ( -0.081 -0.000 -0.544) 0.550 2.579 ( -3.233 -0.000 6.279) 7.062 2.658 ( -0.302 -0.000 0.698) 0.760 3.142 ( -6.400 -0.000 4.289) 7.704 4.693 ( 0.059 0.000 -0.092) 0.109 5.321 ( 1.538 0.000 2.593) 3.014 5.877 ( -2.858 -0.000 -0.341) 2.879 ======================= Grid point 204 (87/277) ======================= q-point: ( 0.42 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -3.034 -6.624 6.683) 9.887 0.593 ( 2.491 -0.650 2.138) 3.346 0.651 ( -6.671 -8.999 6.437) 12.920 0.906 ( 0.102 1.733 -2.742) 3.246 1.146 ( 0.937 -7.804 -1.770) 8.057 1.677 ( -0.259 1.192 -1.498) 1.931 1.974 ( 0.478 -2.170 -0.185) 2.229 2.043 ( 1.234 0.176 -1.982) 2.341 2.177 ( -0.033 -10.095 -2.022) 10.296 2.257 ( 0.013 0.384 0.384) 0.544 2.422 ( 0.125 -1.070 1.534) 1.875 2.537 ( 0.157 1.271 -0.031) 1.281 2.579 ( -2.278 0.023 4.730) 5.250 2.648 ( -0.315 1.140 1.670) 2.046 3.064 ( -5.164 5.881 2.862) 8.333 4.816 ( -0.180 -12.083 -0.563) 12.098 5.326 ( 1.033 1.100 3.133) 3.477 5.760 ( -2.034 10.424 -1.190) 10.687 ======================= Grid point 205 (88/277) ======================= q-point: ( 0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 0.927 2.339 -0.988) 2.703 0.641 ( -2.702 -6.800 4.516) 8.599 0.866 ( -3.801 -11.839 5.246) 13.495 0.873 ( 0.184 0.523 -2.459) 2.521 1.327 ( 0.877 -10.886 -1.507) 11.025 1.641 ( 0.124 1.917 -2.050) 2.809 2.006 ( 1.557 -0.064 -0.776) 1.741 2.048 ( -0.775 -1.307 -0.353) 1.560 2.239 ( -0.174 1.422 0.100) 1.437 2.345 ( 0.061 -5.528 -1.435) 5.711 2.494 ( 1.953 -6.601 0.926) 6.946 2.513 ( 0.607 1.249 -0.059) 1.390 2.584 ( -0.801 -0.654 0.834) 1.329 2.635 ( -1.171 0.056 3.421) 3.616 2.904 ( -3.562 8.929 1.305) 9.701 5.083 ( 0.431 -15.259 -0.821) 15.287 5.309 ( -0.322 1.972 3.525) 4.052 5.493 ( -0.320 15.966 -1.743) 16.065 ======================= Grid point 206 (89/277) ======================= q-point: (-0.42 -0.67 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 0.907 1.419 1.084) 2.002 0.773 ( -0.399 -7.402 0.285) 7.419 0.887 ( 0.433 -2.310 -0.761) 2.470 1.049 ( -1.968 -7.945 4.790) 9.484 1.516 ( 1.179 -7.795 -2.117) 8.162 1.608 ( 0.705 0.274 -1.077) 1.316 2.000 ( 1.146 0.638 -1.058) 1.685 2.063 ( -1.644 -0.401 1.134) 2.037 2.199 ( -0.397 2.831 0.129) 2.861 2.396 ( -0.015 -1.564 -0.020) 1.564 2.499 ( 0.693 0.552 -0.295) 0.934 2.561 ( -0.281 0.947 0.695) 1.207 2.599 ( -0.238 1.017 1.061) 1.489 2.719 ( 1.340 -8.135 0.188) 8.246 2.744 ( -1.193 5.196 -0.379) 5.345 5.144 ( -1.565 16.076 -0.052) 16.152 5.265 ( 0.011 0.136 -0.932) 0.942 5.397 ( 2.361 -10.164 2.197) 10.664 ======================= Grid point 207 (90/277) ======================= q-point: (-0.33 -0.67 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 1.364 -2.347 4.240) 5.035 0.907 ( 2.099 -6.250 -1.903) 6.862 0.952 ( 0.235 -4.651 0.231) 4.663 1.172 ( -0.146 -4.534 3.679) 5.841 1.552 ( 1.448 0.463 -2.261) 2.724 1.692 ( 0.742 -5.483 0.919) 5.609 1.992 ( 0.378 0.643 -0.647) 0.987 2.049 ( -1.887 1.233 1.687) 2.816 2.126 ( -0.573 4.587 -0.266) 4.630 2.419 ( 0.161 -0.912 -0.260) 0.962 2.484 ( -0.476 2.665 0.412) 2.739 2.508 ( -0.718 1.416 0.551) 1.680 2.586 ( -0.404 0.018 0.068) 0.410 2.705 ( -0.240 -0.061 -2.042) 2.057 2.859 ( 3.215 -5.199 -0.955) 6.187 4.857 ( -0.368 13.070 -0.353) 13.080 5.234 ( -0.706 1.941 0.780) 2.208 5.604 ( 1.979 -8.809 1.415) 9.138 ======================= Grid point 208 (91/277) ======================= q-point: (-0.25 -0.67 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 0.366 -2.924 4.374) 5.274 0.988 ( 0.914 -2.164 0.898) 2.515 1.068 ( 2.057 -6.641 -3.402) 7.740 1.228 ( 1.678 -0.251 -0.171) 1.706 1.560 ( 0.475 -1.064 0.819) 1.425 1.773 ( 0.426 -2.753 0.991) 2.956 1.964 ( -1.188 2.119 1.483) 2.846 2.024 ( -0.952 0.822 0.915) 1.556 2.045 ( -0.070 2.948 -0.973) 3.105 2.424 ( -1.128 0.894 -0.445) 1.506 2.437 ( 0.520 0.809 -0.007) 0.962 2.505 ( -0.193 -0.175 0.270) 0.375 2.581 ( -0.551 0.427 0.006) 0.697 2.699 ( 0.139 0.083 -2.569) 2.574 2.942 ( 3.155 -2.582 -2.040) 4.559 4.670 ( -0.037 6.717 0.002) 6.717 5.200 ( -1.006 1.399 1.185) 2.091 5.741 ( 1.247 -4.670 0.885) 4.915 ======================= Grid point 209 (92/277) ======================= q-point: (-0.17 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -1.160 0.630 2.159) 2.531 1.011 ( -0.040 0.083 0.510) 0.519 1.158 ( 1.928 -0.873 -3.856) 4.398 1.213 ( 2.338 0.401 -4.169) 4.797 1.581 ( -0.905 -0.374 1.470) 1.766 1.809 ( -0.163 -0.645 0.467) 0.812 1.935 ( -1.625 0.387 2.876) 3.326 1.998 ( 0.446 0.826 -0.299) 0.985 2.034 ( -0.351 -0.980 0.288) 1.080 2.390 ( -0.528 1.366 -0.990) 1.767 2.439 ( 0.791 -0.123 0.079) 0.804 2.508 ( -0.321 -0.102 0.821) 0.887 2.569 ( -0.207 0.431 0.404) 0.626 2.693 ( 0.922 0.103 -1.861) 2.079 2.979 ( 2.103 -0.801 -3.556) 4.208 4.608 ( -0.042 -0.021 0.076) 0.090 5.182 ( -0.869 0.388 1.522) 1.795 5.794 ( 0.197 -0.549 -0.373) 0.692 ======================= Grid point 210 (93/277) ======================= q-point: (-0.08 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -2.016 3.883 -0.089) 4.376 0.990 ( -0.403 1.935 -0.914) 2.178 1.078 ( 1.958 6.834 -5.389) 8.921 1.226 ( -0.145 0.076 -2.599) 2.604 1.576 ( -0.631 -0.057 -1.058) 1.233 1.786 ( -0.851 2.948 -0.514) 3.111 1.957 ( -0.767 -2.072 2.372) 3.242 2.002 ( 0.455 -0.950 0.906) 1.390 2.071 ( -0.441 -3.048 0.832) 3.190 2.372 ( 0.696 0.227 -0.688) 1.004 2.451 ( 0.495 -0.834 0.770) 1.238 2.507 ( -0.534 0.341 1.177) 1.337 2.569 ( 0.069 -0.208 0.885) 0.911 2.692 ( 1.836 0.411 -0.964) 2.114 2.973 ( 0.533 0.917 -4.934) 5.047 4.671 ( 0.003 -6.796 0.085) 6.797 5.186 ( -0.424 -0.587 1.656) 1.807 5.762 ( -0.874 3.470 -2.107) 4.153 ======================= Grid point 216 (94/277) ======================= q-point: ( 0.42 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( -4.098 -0.000 5.061) 6.512 0.544 ( -7.777 -0.000 13.378) 15.475 0.617 ( -0.052 -0.000 -2.055) 2.056 0.916 ( -0.249 -0.000 -3.428) 3.437 1.066 ( 0.783 0.000 -2.443) 2.565 1.681 ( -0.637 -0.000 -1.629) 1.750 1.951 ( 0.467 0.000 -0.252) 0.531 2.036 ( -0.560 -0.000 -0.865) 1.030 2.077 ( 1.851 0.000 -2.609) 3.199 2.263 ( 0.306 0.000 1.009) 1.055 2.417 ( -0.122 -0.000 1.536) 1.541 2.550 ( 0.443 0.000 -0.380) 0.583 2.588 ( -2.399 -0.000 7.182) 7.572 2.664 ( -0.240 -0.000 2.260) 2.273 3.100 ( -5.301 -0.000 2.255) 5.761 4.693 ( 0.043 0.000 -0.118) 0.126 5.353 ( 1.050 0.000 3.994) 4.129 5.843 ( -2.231 -0.000 -2.348) 3.239 ======================= Grid point 217 (95/277) ======================= q-point: (-0.50 -0.58 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -4.659 -6.837 4.430) 9.384 0.595 ( -3.736 -0.340 -0.941) 3.868 0.633 ( -3.603 -9.649 7.755) 12.893 0.886 ( -0.316 1.469 -3.960) 4.236 1.143 ( 0.689 -8.015 -2.146) 8.326 1.662 ( -0.486 1.047 -2.095) 2.392 1.979 ( 0.459 -2.339 -0.006) 2.384 2.047 ( 1.699 0.416 -1.955) 2.623 2.162 ( -0.246 -9.678 -2.578) 10.019 2.264 ( 0.437 0.415 1.054) 1.214 2.435 ( 0.351 -1.662 2.319) 2.875 2.541 ( 0.673 1.119 -0.020) 1.306 2.588 ( -1.643 0.707 5.530) 5.812 2.658 ( -0.368 1.158 3.116) 3.345 3.026 ( -4.365 5.470 1.190) 7.099 4.816 ( 0.492 -12.102 -0.039) 12.112 5.355 ( 0.425 1.551 4.477) 4.757 5.730 ( -1.510 9.798 -2.971) 10.349 ======================= Grid point 218 (96/277) ======================= q-point: (-0.42 -0.58 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -2.071 0.409 -2.348) 3.157 0.633 ( -3.445 -6.783 3.914) 8.556 0.852 ( -1.737 -5.173 0.117) 5.458 0.870 ( -1.065 -7.298 2.338) 7.737 1.328 ( 0.904 -11.125 -1.545) 11.269 1.630 ( 0.240 1.502 -2.401) 2.842 2.018 ( 1.515 -0.230 -0.820) 1.738 2.039 ( -0.518 -0.618 -0.227) 0.838 2.239 ( 0.029 1.376 0.081) 1.379 2.337 ( -0.032 -5.797 -1.568) 6.006 2.518 ( 1.078 -0.477 0.341) 1.227 2.527 ( 1.972 -4.856 1.607) 5.482 2.584 ( -0.437 -0.182 1.503) 1.576 2.645 ( -0.929 0.429 4.114) 4.239 2.875 ( -2.777 8.309 0.237) 8.764 5.090 ( 1.519 -14.960 -0.067) 15.038 5.324 ( -1.054 3.434 4.372) 5.658 5.482 ( 0.443 13.859 -2.539) 14.097 ======================= Grid point 219 (97/277) ======================= q-point: (-0.33 -0.58 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -0.223 -0.788 1.482) 1.694 0.769 ( -0.614 -8.029 0.259) 8.056 0.886 ( 0.361 -3.043 -0.614) 3.125 1.061 ( -1.396 -8.557 5.068) 10.042 1.517 ( 1.467 -7.252 -2.079) 7.685 1.611 ( 0.892 -1.000 -0.949) 1.642 2.006 ( 1.135 0.971 -1.194) 1.913 2.053 ( -1.640 -0.346 1.152) 2.034 2.196 ( -0.270 3.149 0.070) 3.161 2.393 ( -0.418 -1.804 -0.227) 1.866 2.505 ( 0.800 0.697 -0.327) 1.110 2.559 ( -1.030 1.771 0.972) 2.267 2.601 ( -0.477 1.615 0.995) 1.956 2.712 ( -1.702 0.531 -0.064) 1.784 2.765 ( 3.947 -4.182 0.302) 5.759 5.126 ( -1.277 15.456 -0.638) 15.522 5.258 ( -0.654 -0.462 -0.244) 0.837 5.443 ( 3.591 -8.923 2.919) 10.052 ======================= Grid point 220 (98/277) ======================= q-point: (-0.25 -0.58 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 0.586 -2.934 4.729) 5.596 0.919 ( 2.297 -7.460 -1.921) 8.039 0.957 ( 0.018 -4.044 0.963) 4.157 1.194 ( 0.122 -4.601 3.801) 5.970 1.557 ( 1.828 -0.003 -1.932) 2.660 1.706 ( 0.862 -5.443 1.076) 5.615 1.991 ( 0.262 0.924 -0.696) 1.186 2.038 ( -1.966 1.095 1.469) 2.687 2.119 ( -0.411 4.660 -0.284) 4.687 2.415 ( -0.504 -0.946 -0.402) 1.145 2.481 ( -0.586 3.594 0.589) 3.688 2.504 ( -0.458 0.539 0.244) 0.748 2.581 ( -0.540 0.287 -0.024) 0.612 2.688 ( -0.540 -0.175 -2.371) 2.438 2.895 ( 4.163 -4.479 -0.424) 6.129 4.851 ( -0.275 12.602 -0.431) 12.612 5.229 ( -1.231 1.856 0.809) 2.370 5.639 ( 2.754 -7.874 1.936) 8.564 ======================= Grid point 221 (99/277) ======================= q-point: (-0.17 -0.58 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -0.135 -1.805 4.487) 4.838 1.003 ( 0.641 -1.533 1.277) 2.096 1.070 ( 2.231 -6.614 -3.351) 7.743 1.244 ( 1.685 0.386 -0.332) 1.760 1.571 ( 0.603 -0.852 1.013) 1.455 1.785 ( 0.534 -2.332 1.117) 2.640 1.960 ( -1.376 2.035 1.563) 2.911 2.019 ( -0.993 0.271 0.580) 1.182 2.039 ( 0.121 2.975 -0.842) 3.095 2.409 ( -1.027 1.168 -0.246) 1.574 2.441 ( 0.414 0.300 -0.390) 0.644 2.504 ( -0.419 -0.256 0.398) 0.632 2.574 ( -0.732 0.204 -0.038) 0.760 2.685 ( 0.202 -0.387 -2.773) 2.807 2.965 ( 3.364 -1.539 -1.902) 4.160 4.670 ( -0.018 6.606 0.000) 6.606 5.196 ( -1.210 1.183 1.196) 2.072 5.761 ( 1.474 -3.618 0.982) 4.028 ======================= Grid point 222 (100/277) ======================= q-point: (-0.08 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -1.046 2.046 2.183) 3.169 1.014 ( -0.181 0.746 0.603) 0.976 1.155 ( 1.968 -0.627 -3.913) 4.425 1.213 ( 2.303 1.556 -4.263) 5.089 1.580 ( -0.889 0.529 1.506) 1.827 1.809 ( -0.253 0.110 0.355) 0.450 1.935 ( -1.620 0.004 2.878) 3.303 2.003 ( 0.639 0.460 0.081) 0.791 2.030 ( -0.546 -1.257 -0.169) 1.381 2.384 ( 0.195 0.903 -0.479) 1.041 2.446 ( 0.486 -0.365 -0.155) 0.627 2.508 ( -0.639 -0.228 0.909) 1.134 2.569 ( -0.224 -0.041 0.305) 0.380 2.692 ( 1.000 -0.721 -1.863) 2.234 2.980 ( 2.027 0.508 -3.650) 4.205 4.608 ( -0.042 0.012 0.076) 0.088 5.182 ( -0.860 0.087 1.526) 1.754 5.794 ( 0.206 0.579 -0.367) 0.715 ======================= Grid point 229 (101/277) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -5.212 -0.000 4.051) 6.601 0.527 ( -9.875 -0.000 12.574) 15.988 0.589 ( -2.013 -0.000 -3.783) 4.285 0.888 ( -0.678 -0.000 -4.711) 4.759 1.056 ( 0.423 0.000 -3.001) 3.031 1.662 ( -0.690 -0.000 -2.394) 2.491 1.956 ( 0.621 0.000 -0.293) 0.686 2.021 ( -1.048 -0.000 -1.255) 1.635 2.083 ( 2.082 0.000 -2.564) 3.303 2.275 ( 0.529 0.000 1.438) 1.532 2.428 ( -0.028 -0.000 2.606) 2.606 2.556 ( 0.912 0.000 0.009) 0.912 2.611 ( -1.655 -0.000 7.754) 7.928 2.679 ( -0.389 -0.000 4.004) 4.023 3.057 ( -4.501 -0.000 0.509) 4.530 4.693 ( 0.031 0.000 -0.140) 0.143 5.388 ( 0.452 0.000 5.661) 5.679 5.804 ( -1.617 -0.000 -4.239) 4.537 ======================= Grid point 230 (102/277) ======================= q-point: (-0.42 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( -5.793 -6.357 1.543) 8.737 0.540 ( -6.811 -2.238 1.945) 7.429 0.635 ( -3.624 -9.644 5.258) 11.566 0.856 ( -0.422 0.924 -4.737) 4.845 1.135 ( 0.497 -8.459 -2.495) 8.833 1.644 ( -0.257 0.789 -2.764) 2.886 1.984 ( 0.445 -2.206 0.066) 2.251 2.056 ( 2.143 0.282 -1.831) 2.833 2.145 ( -0.081 -9.509 -2.855) 9.928 2.276 ( 0.519 0.502 1.207) 1.407 2.457 ( 0.589 -2.402 3.528) 4.309 2.551 ( 1.075 1.094 0.140) 1.540 2.607 ( -1.121 1.510 6.044) 6.330 2.676 ( -0.552 1.302 4.636) 4.846 2.987 ( -3.746 5.010 -0.198) 6.258 4.826 ( 1.284 -12.885 0.322) 12.953 5.387 ( -0.127 2.135 6.113) 6.477 5.695 ( -0.996 9.102 -4.510) 10.206 ======================= Grid point 231 (103/277) ======================= q-point: (-0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -3.878 -2.200 -1.983) 4.880 0.614 ( -3.925 -7.526 2.948) 8.985 0.835 ( -0.381 -3.593 -1.740) 4.010 0.872 ( -2.091 -10.341 3.799) 11.214 1.328 ( 0.929 -11.564 -1.627) 11.714 1.619 ( 0.613 0.969 -2.825) 3.049 2.025 ( 0.151 -1.485 -0.031) 1.493 2.037 ( 0.966 1.315 -0.882) 1.855 2.240 ( 0.295 1.188 -0.054) 1.225 2.327 ( -0.001 -5.540 -1.635) 5.776 2.529 ( 0.986 1.278 0.047) 1.615 2.557 ( 0.860 -4.391 2.515) 5.133 2.595 ( 0.738 -0.380 1.752) 1.939 2.666 ( -0.001 -0.163 5.422) 5.424 2.848 ( -2.151 7.352 -0.930) 7.717 5.112 ( 2.465 -14.078 0.190) 14.294 5.339 ( -1.302 5.691 4.952) 7.655 5.474 ( 1.017 10.388 -2.590) 10.754 ======================= Grid point 232 (104/277) ======================= q-point: (-0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -1.631 -3.371 1.793) 4.152 0.763 ( -0.601 -8.953 0.013) 8.973 0.888 ( 0.652 -3.787 -0.555) 3.883 1.076 ( -1.331 -9.234 5.112) 10.639 1.522 ( 1.767 -7.033 -2.006) 7.524 1.615 ( 0.970 -2.137 -1.160) 2.618 2.010 ( 0.978 1.273 -1.243) 2.030 2.043 ( -1.461 -0.104 1.260) 1.932 2.195 ( -0.110 3.496 0.145) 3.500 2.385 ( -0.688 -1.919 -0.448) 2.087 2.511 ( 0.663 0.899 -0.281) 1.152 2.554 ( -1.159 2.401 1.312) 2.972 2.602 ( -0.369 1.874 0.732) 2.045 2.694 ( -1.779 2.738 -0.066) 3.266 2.815 ( 5.098 -6.116 0.374) 7.971 5.112 ( -0.786 15.041 -0.693) 15.078 5.249 ( -1.181 -0.160 0.258) 1.219 5.501 ( 4.240 -8.443 2.864) 9.872 ======================= Grid point 233 (105/277) ======================= q-point: (-0.17 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -0.862 -3.774 4.326) 5.805 0.930 ( 1.944 -8.568 -1.907) 8.990 0.965 ( 0.454 -3.511 1.019) 3.684 1.217 ( 0.046 -4.580 3.523) 5.778 1.567 ( 2.088 -0.359 -1.752) 2.749 1.720 ( 0.754 -5.608 0.892) 5.728 1.989 ( 0.093 1.207 -0.665) 1.381 2.026 ( -1.839 1.125 1.430) 2.587 2.115 ( -0.190 4.702 -0.030) 4.706 2.405 ( -0.811 -0.899 -0.511) 1.314 2.478 ( -0.681 3.825 0.706) 3.948 2.502 ( -0.279 0.321 0.206) 0.472 2.575 ( -0.528 0.648 0.066) 0.839 2.668 ( -0.521 -0.380 -2.518) 2.599 2.937 ( 4.380 -3.549 -0.592) 5.669 4.847 ( -0.156 12.229 -0.375) 12.235 5.219 ( -1.567 1.678 0.936) 2.480 5.680 ( 2.976 -6.763 1.699) 7.582 ======================= Grid point 234 (106/277) ======================= q-point: (-0.08 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -1.026 -1.302 3.999) 4.329 1.014 ( -0.050 -1.136 1.205) 1.657 1.077 ( 2.746 -6.311 -3.388) 7.671 1.258 ( 1.492 0.992 -0.794) 1.959 1.583 ( 0.590 -0.527 0.942) 1.230 1.796 ( 0.457 -1.911 1.011) 2.210 1.954 ( -1.505 1.931 1.750) 3.009 2.011 ( -0.922 -0.156 0.075) 0.938 2.038 ( 0.287 2.999 -0.246) 3.022 2.401 ( -0.415 0.850 -0.029) 0.946 2.440 ( -0.028 0.117 -0.759) 0.769 2.501 ( -0.630 -0.278 0.587) 0.905 2.566 ( -0.750 0.056 0.132) 0.764 2.673 ( 0.499 -0.913 -2.742) 2.932 2.988 ( 3.167 -0.427 -2.167) 3.861 4.669 ( -0.011 6.523 0.009) 6.523 5.190 ( -1.284 0.888 1.270) 2.013 5.781 ( 1.395 -2.548 0.672) 2.982 ======================= Grid point 242 (107/277) ======================= q-point: (-0.42 -0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( -6.280 -0.000 3.827) 7.354 0.480 ( -9.834 -0.000 6.296) 11.677 0.540 ( -5.696 -0.000 1.292) 5.840 0.851 ( -0.619 -0.000 -5.506) 5.540 1.041 ( 0.231 0.000 -3.281) 3.289 1.642 ( -0.181 -0.000 -3.094) 3.099 1.958 ( 0.517 0.000 -1.150) 1.260 2.004 ( -1.044 -0.000 -0.407) 1.120 2.091 ( 2.247 0.000 -2.319) 3.229 2.289 ( 0.510 0.000 1.416) 1.505 2.447 ( -0.023 -0.000 3.969) 3.969 2.568 ( 1.227 0.000 0.265) 1.255 2.643 ( -0.645 -0.000 7.612) 7.639 2.702 ( -1.053 -0.000 6.902) 6.981 3.013 ( -3.920 -0.000 -0.709) 3.983 4.692 ( 0.025 0.000 -0.150) 0.153 5.429 ( 0.099 0.000 7.804) 7.805 5.762 ( -1.024 -0.000 -5.812) 5.901 ======================= Grid point 243 (108/277) ======================= q-point: (-0.33 -0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -6.578 -4.902 0.019) 8.203 0.480 ( -7.396 -4.355 2.840) 9.041 0.619 ( -5.389 -11.342 5.593) 13.746 0.825 ( -0.016 0.228 -4.968) 4.974 1.125 ( 0.442 -9.012 -2.682) 9.413 1.627 ( 0.428 0.528 -3.308) 3.377 1.988 ( 0.477 -1.985 -0.052) 2.042 2.070 ( 2.464 0.184 -1.839) 3.080 2.131 ( 0.707 -9.785 -2.875) 10.223 2.287 ( 0.362 0.723 1.037) 1.315 2.486 ( 0.385 -3.060 4.308) 5.298 2.564 ( 1.291 1.146 0.219) 1.740 2.635 ( -0.167 2.390 5.829) 6.302 2.702 ( -0.889 1.500 7.349) 7.553 2.947 ( -3.349 4.573 -1.006) 5.757 4.847 ( 2.398 -14.348 0.411) 14.553 5.425 ( -0.206 2.863 8.389) 8.866 5.658 ( -0.625 8.379 -5.707) 10.157 ======================= Grid point 244 (109/277) ======================= q-point: (-0.25 -0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( -4.719 -4.450 -0.712) 6.525 0.587 ( -3.896 -8.780 1.900) 9.792 0.825 ( 0.690 -3.592 -2.270) 4.304 0.869 ( -3.025 -12.237 4.578) 13.411 1.329 ( 0.981 -12.106 -1.693) 12.263 1.611 ( 1.207 0.522 -3.191) 3.451 2.024 ( -0.271 -1.476 0.346) 1.540 2.044 ( 1.356 1.971 -1.195) 2.674 2.245 ( 0.623 1.149 -0.089) 1.310 2.319 ( 0.311 -5.028 -1.714) 5.321 2.539 ( 0.823 1.547 0.059) 1.753 2.568 ( -1.422 -1.414 2.550) 3.244 2.617 ( 1.558 0.241 0.998) 1.866 2.714 ( 2.106 -2.006 7.659) 8.193 2.819 ( -1.743 6.148 -2.181) 6.752 5.140 ( 2.846 -12.150 -0.277) 12.482 5.355 ( -0.805 9.251 4.531) 10.333 5.475 ( 1.540 5.108 -1.105) 5.448 ======================= Grid point 245 (110/277) ======================= q-point: (-0.17 -0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -2.930 -5.433 2.093) 6.518 0.757 ( -0.409 -10.034 -0.446) 10.052 0.894 ( 1.071 -4.323 -0.709) 4.509 1.090 ( -1.614 -9.943 5.037) 11.263 1.531 ( 2.016 -7.212 -1.921) 7.731 1.617 ( 0.980 -2.784 -1.612) 3.363 2.012 ( 0.751 1.508 -1.314) 2.137 2.037 ( -1.197 0.214 1.548) 1.968 2.196 ( -0.009 3.759 0.347) 3.775 2.375 ( -0.643 -1.811 -0.540) 1.996 2.515 ( 0.375 1.143 -0.188) 1.217 2.550 ( -1.026 2.533 1.441) 3.090 2.602 ( -0.194 1.963 0.468) 2.028 2.675 ( -1.645 3.737 -0.280) 4.093 2.871 ( 5.267 -6.026 0.208) 8.006 5.102 ( -0.365 14.897 -0.490) 14.910 5.237 ( -1.515 0.230 0.579) 1.638 5.561 ( 4.319 -7.862 2.120) 9.218 ======================= Grid point 246 (111/277) ======================= q-point: (-0.08 -0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -2.319 -4.627 3.558) 6.280 0.938 ( 1.553 -8.836 -1.781) 9.147 0.976 ( 0.845 -3.660 0.211) 3.762 1.234 ( -0.329 -4.491 2.881) 5.346 1.579 ( 2.173 -0.511 -1.800) 2.868 1.731 ( 0.453 -5.944 0.407) 5.975 1.986 ( -0.096 1.416 -0.525) 1.513 2.017 ( -1.524 1.341 1.604) 2.587 2.115 ( -0.004 4.686 0.408) 4.704 2.394 ( -0.770 -0.992 -0.585) 1.385 2.475 ( -0.661 3.960 0.721) 4.079 2.500 ( -0.334 0.446 0.363) 0.665 2.571 ( -0.365 0.985 0.324) 1.099 2.650 ( -0.197 -0.713 -2.461) 2.570 2.975 ( 3.945 -2.591 -1.299) 4.895 4.844 ( -0.055 12.007 -0.225) 12.009 5.208 ( -1.644 1.451 1.115) 2.460 5.717 ( 2.585 -5.702 0.781) 6.309 ======================= Grid point 255 (112/277) ======================= q-point: (-0.33 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( -7.128 -0.000 4.743) 8.562 0.397 ( -8.721 -0.000 -1.031) 8.782 0.489 ( -9.835 -0.000 9.078) 13.384 0.815 ( 0.134 0.000 -5.624) 5.625 1.024 ( 0.258 0.000 -3.210) 3.220 1.625 ( 0.818 0.000 -3.572) 3.665 1.951 ( 0.058 0.000 -2.166) 2.167 1.997 ( -0.509 -0.000 0.870) 1.008 2.102 ( 2.314 0.000 -2.274) 3.244 2.301 ( 0.346 0.000 1.113) 1.166 2.469 ( -0.649 -0.000 4.522) 4.568 2.583 ( 1.316 0.000 0.276) 1.345 2.682 ( 1.422 0.000 3.786) 4.044 2.745 ( -1.817 -0.000 14.993) 15.103 2.969 ( -3.564 -0.000 -0.770) 3.646 4.692 ( 0.027 0.000 -0.148) 0.150 5.485 ( 0.628 0.000 11.059) 11.077 5.716 ( -0.692 -0.000 -6.995) 7.029 ======================= Grid point 256 (113/277) ======================= q-point: (-0.25 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( -6.821 -4.013 0.449) 7.927 0.419 ( -7.290 -6.696 2.688) 10.257 0.592 ( -6.828 -13.116 7.568) 16.611 0.802 ( 0.996 -0.437 -4.639) 4.765 1.115 ( 0.560 -9.541 -2.614) 9.909 1.617 ( 1.432 0.361 -3.611) 3.901 1.993 ( 0.531 -1.854 -0.392) 1.968 2.084 ( 2.337 0.737 -2.171) 3.273 2.129 ( 2.372 -10.857 -3.012) 11.514 2.295 ( 0.137 0.989 0.751) 1.250 2.507 ( -1.014 -3.124 3.624) 4.891 2.579 ( 1.224 1.229 0.096) 1.737 2.668 ( 1.324 2.880 2.837) 4.254 2.751 ( -0.305 2.266 12.578) 12.784 2.909 ( -3.120 4.344 0.213) 5.353 4.881 ( 4.029 -16.136 -0.250) 16.633 5.485 ( 0.838 3.898 11.799) 12.454 5.616 ( -0.715 7.672 -6.579) 10.131 ======================= Grid point 257 (114/277) ======================= q-point: (-0.17 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( -4.877 -6.081 0.771) 7.833 0.558 ( -3.392 -10.134 1.078) 10.741 0.824 ( 1.593 -3.758 -2.244) 4.658 0.864 ( -3.598 -13.750 5.648) 15.295 1.329 ( 1.032 -12.615 -1.708) 12.772 1.608 ( 1.929 0.316 -3.376) 3.901 2.023 ( -0.126 -1.127 -0.135) 1.142 2.051 ( 1.042 2.074 -0.781) 2.449 2.252 ( 0.674 1.629 0.124) 1.768 2.316 ( 1.181 -4.636 -1.844) 5.127 2.546 ( 0.241 1.473 0.231) 1.510 2.561 ( -2.262 -0.446 1.931) 3.007 2.635 ( 1.153 1.780 0.353) 2.150 2.786 ( -2.056 5.957 -2.131) 6.653 2.794 ( 4.184 -2.948 7.860) 9.380 5.164 ( 2.476 -9.281 -1.229) 9.684 5.369 ( -0.268 13.138 1.600) 13.238 5.499 ( 2.349 -0.267 2.620) 3.529 ======================= Grid point 258 (115/277) ======================= q-point: (-0.08 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -3.619 -6.632 2.391) 7.925 0.750 ( -0.138 -11.067 -0.961) 11.110 0.901 ( 1.318 -4.487 -1.042) 4.792 1.100 ( -2.039 -10.428 4.859) 11.683 1.541 ( 2.037 -7.840 -1.875) 8.314 1.617 ( 1.079 -2.624 -2.105) 3.533 2.010 ( 0.406 1.524 -1.414) 2.118 2.037 ( -0.799 0.601 1.965) 2.205 2.198 ( -0.022 3.868 0.623) 3.918 2.367 ( -0.300 -1.399 -0.430) 1.494 2.516 ( 0.042 1.301 -0.124) 1.308 2.548 ( -1.007 2.080 1.242) 2.624 2.603 ( -0.041 2.005 0.275) 2.024 2.657 ( -1.231 4.214 -0.545) 4.424 2.923 ( 4.579 -4.944 -0.240) 6.743 5.098 ( -0.077 14.855 -0.196) 14.857 5.225 ( -1.546 0.490 0.806) 1.811 5.611 ( 3.525 -6.941 0.664) 7.813 ======================= Grid point 268 (116/277) ======================= q-point: (-0.25 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.266 ( -7.428 -0.000 7.067) 10.253 0.294 ( -8.752 -0.000 -2.904) 9.221 0.441 ( -11.796 -0.000 13.573) 17.983 0.792 ( 1.454 0.000 -4.954) 5.163 1.011 ( 0.505 0.000 -2.797) 2.842 1.619 ( 2.056 0.000 -3.785) 4.308 1.939 ( 0.022 0.000 -1.926) 1.927 2.000 ( -0.274 -0.000 1.038) 1.073 2.111 ( 2.072 0.000 -2.676) 3.384 2.308 ( 0.120 0.000 0.673) 0.684 2.479 ( -2.040 -0.000 3.590) 4.129 2.597 ( 1.129 0.000 -0.004) 1.129 2.708 ( 1.548 0.000 0.194) 1.560 2.844 ( 0.900 0.000 15.383) 15.409 2.946 ( -1.865 -0.000 9.174) 9.362 4.691 ( 0.037 0.000 -0.133) 0.138 5.580 ( 3.586 0.000 14.943) 15.367 5.666 ( -1.202 -0.000 -6.647) 6.754 ======================= Grid point 269 (117/277) ======================= q-point: (-0.17 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.279 ( -6.554 -4.468 0.877) 7.980 0.365 ( -6.523 -8.306 3.959) 11.279 0.570 ( -7.121 -14.554 10.345) 19.224 0.794 ( 2.225 -0.891 -3.746) 4.447 1.108 ( 0.826 -9.917 -2.291) 10.211 1.616 ( 2.466 0.324 -3.639) 4.408 1.994 ( 0.509 -1.749 -0.876) 2.022 2.091 ( 1.708 1.236 -2.568) 3.322 2.146 ( 4.723 -12.015 -3.812) 13.461 2.298 ( -0.046 1.163 0.452) 1.248 2.505 ( -2.620 -2.798 2.358) 4.500 2.589 ( 0.802 1.422 -0.237) 1.650 2.689 ( 1.137 2.692 0.288) 2.936 2.806 ( -1.373 3.796 2.584) 4.793 2.924 ( 0.810 5.922 15.123) 16.262 4.925 ( 5.983 -17.295 -2.547) 18.477 5.561 ( -1.220 5.563 -6.173) 8.399 5.589 ( 2.942 7.501 14.560) 16.641 ======================= Grid point 270 (118/277) ======================= q-point: (-0.08 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( -4.305 -7.121 2.000) 8.558 0.532 ( -2.453 -11.171 1.012) 11.482 0.832 ( 2.167 -3.622 -1.930) 4.641 0.861 ( -3.691 -14.591 6.817) 16.522 1.330 ( 1.036 -12.921 -1.678) 13.071 1.613 ( 2.581 0.365 -3.328) 4.228 2.019 ( -0.074 -0.711 -0.937) 1.178 2.058 ( 0.734 1.758 -0.114) 1.908 2.258 ( 0.272 2.260 0.458) 2.321 2.324 ( 2.408 -4.091 -1.937) 5.127 2.540 ( -2.604 -1.371 1.580) 3.340 2.550 ( -0.235 2.289 -0.253) 2.314 2.645 ( 0.696 2.374 -0.101) 2.476 2.748 ( -1.761 3.438 -3.941) 5.519 2.887 ( 3.792 0.579 8.910) 9.701 5.178 ( 2.016 -6.670 -2.033) 7.259 5.365 ( -0.499 12.795 -1.555) 12.899 5.549 ( 2.312 -0.082 4.937) 5.452 ======================= Grid point 281 (119/277) ======================= q-point: (-0.17 -0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.192 ( -8.489 -0.000 0.033) 8.489 0.242 ( -6.668 -0.000 10.304) 12.273 0.405 ( -11.585 -0.000 16.706) 20.329 0.790 ( 2.802 0.000 -3.566) 4.535 1.004 ( 0.914 0.000 -2.145) 2.331 1.624 ( 3.131 0.000 -3.753) 4.887 1.932 ( 0.373 0.000 -1.222) 1.278 2.002 ( -0.344 -0.000 0.811) 0.881 2.113 ( 1.656 0.000 -3.039) 3.461 2.311 ( -0.122 -0.000 0.183) 0.220 2.469 ( -3.076 -0.000 2.396) 3.900 2.605 ( 0.698 0.000 -0.475) 0.845 2.719 ( 0.813 0.000 -0.794) 1.136 2.846 ( -3.792 -0.000 -1.649) 4.135 3.129 ( 11.514 0.000 27.038) 29.387 4.691 ( 0.052 0.000 -0.108) 0.120 5.587 ( -3.051 -0.000 -9.898) 10.358 5.770 ( 10.922 0.000 21.117) 23.775 ======================= Grid point 282 (120/277) ======================= q-point: (-0.08 -0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.222 ( -5.169 -6.266 1.585) 8.276 0.337 ( -4.668 -8.243 7.169) 11.880 0.566 ( -6.281 -15.236 12.500) 20.684 0.805 ( 3.104 -0.973 -2.464) 4.081 1.106 ( 1.163 -10.038 -1.821) 10.268 1.625 ( 3.187 0.394 -3.403) 4.679 1.993 ( 0.359 -1.615 -1.386) 2.158 2.090 ( 1.051 0.818 -2.799) 3.100 2.180 ( 6.465 -12.345 -5.190) 14.871 2.299 ( -0.146 1.117 0.128) 1.133 2.483 ( -3.359 -2.525 1.429) 4.438 2.592 ( 0.271 1.645 -0.624) 1.780 2.696 ( 0.411 2.495 -0.702) 2.624 2.767 ( -4.623 3.500 -1.876) 6.094 3.061 ( 3.832 11.506 18.196) 21.867 4.969 ( 7.023 -17.106 -6.598) 19.633 5.486 ( -4.896 4.548 -7.399) 9.970 5.729 ( 5.112 12.241 15.219) 20.189 ======================= Grid point 294 (121/277) ======================= q-point: (-0.08 -0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.149 ( -2.648 -0.000 7.889) 8.322 0.248 ( -4.855 -0.000 12.623) 13.525 0.397 ( -9.665 -0.000 18.863) 21.194 0.808 ( 3.626 0.000 -1.853) 4.072 1.005 ( 1.373 0.000 -1.430) 1.982 1.639 ( 3.596 0.000 -3.440) 4.977 1.933 ( 0.840 0.000 -0.542) 0.999 2.002 ( -0.489 -0.000 0.616) 0.786 2.112 ( 1.505 0.000 -2.964) 3.324 2.308 ( -0.353 -0.000 -0.299) 0.463 2.448 ( -3.038 -0.000 1.872) 3.569 2.606 ( 0.232 0.000 -0.971) 0.998 2.717 ( 0.178 0.000 -1.501) 1.512 2.782 ( -7.052 -0.000 -0.768) 7.094 3.380 ( 11.449 0.000 8.368) 14.181 4.691 ( 0.068 0.000 -0.082) 0.107 5.470 ( -9.182 -0.000 -7.889) 12.106 6.003 ( 12.087 0.000 7.354) 14.148 ======================= Grid point 295 (122/277) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 2.540 0.000 7.369) 7.795 0.529 ( -3.246 -0.000 10.514) 11.004 0.797 ( -6.837 -0.000 16.423) 17.789 0.813 ( 5.570 0.000 -2.515) 6.111 0.982 ( 2.922 0.000 -2.411) 3.788 1.566 ( 5.888 0.000 -5.967) 8.383 1.934 ( 0.714 0.000 -0.436) 0.836 2.020 ( 0.236 0.000 1.073) 1.099 2.045 ( 1.410 0.000 -2.916) 3.239 2.283 ( -0.827 -0.000 -0.817) 1.162 2.483 ( -2.475 -0.000 2.896) 3.810 2.565 ( -0.211 -0.000 -1.594) 1.608 2.658 ( -0.816 -0.000 -2.071) 2.225 2.766 ( -5.314 -0.000 2.909) 6.058 3.445 ( -2.696 -0.000 1.481) 3.076 4.690 ( 0.100 0.000 -0.075) 0.125 5.319 ( -3.363 -0.000 -0.913) 3.485 6.045 ( -1.796 -0.000 0.008) 1.796 ======================= Grid point 296 (123/277) ======================= q-point: ( 0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 2.356 0.302 7.191) 7.573 0.606 ( -2.113 -4.523 9.852) 11.045 0.826 ( 4.330 0.491 -2.990) 5.284 0.882 ( -5.494 -7.542 12.008) 15.208 1.082 ( 2.197 -9.113 -2.334) 9.661 1.572 ( 5.547 0.759 -6.035) 8.232 1.958 ( 0.265 -1.791 -0.311) 1.837 2.033 ( 0.120 -1.244 -1.501) 1.953 2.146 ( 1.902 -9.254 -2.050) 9.667 2.274 ( -0.623 0.315 -0.854) 1.103 2.481 ( -2.767 -0.319 2.780) 3.935 2.549 ( -0.330 1.130 -1.230) 1.702 2.636 ( -0.902 1.136 -1.687) 2.225 2.713 ( -3.205 3.314 3.022) 5.513 3.319 ( -3.656 10.346 3.369) 11.479 4.842 ( -0.142 -13.760 -2.595) 14.004 5.293 ( -1.606 1.113 -0.250) 1.970 5.906 ( -2.874 12.606 1.373) 13.003 ======================= Grid point 297 (124/277) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 1.351 -1.320 4.662) 5.031 0.700 ( -1.272 -3.695 8.331) 9.202 0.827 ( 2.507 -0.064 -3.363) 4.195 1.043 ( -3.758 -8.191 5.587) 10.603 1.288 ( 0.983 -11.732 -2.170) 11.972 1.560 ( 4.481 1.329 -5.776) 7.430 1.982 ( -0.114 -0.603 0.049) 0.616 2.071 ( -0.199 -2.819 -0.177) 2.832 2.254 ( -0.325 1.237 -0.749) 1.483 2.317 ( 1.556 -6.898 -2.173) 7.398 2.484 ( -1.888 -0.915 1.324) 2.480 2.521 ( -0.661 0.921 -0.190) 1.150 2.607 ( -0.904 1.015 -0.568) 1.473 2.663 ( -0.115 1.037 1.429) 1.769 3.093 ( -3.383 12.210 2.370) 12.890 5.101 ( -0.227 -13.704 -2.634) 13.956 5.260 ( 0.669 2.257 -0.335) 2.378 5.607 ( -3.498 16.602 1.148) 17.005 ======================= Grid point 298 (125/277) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -0.812 -1.163 1.855) 2.335 0.778 ( -0.173 -3.421 3.059) 4.593 0.849 ( 1.142 -2.374 -2.001) 3.309 1.146 ( -1.685 -3.199 0.593) 3.664 1.474 ( 0.851 -6.583 -3.540) 7.523 1.559 ( 2.012 -2.728 -2.573) 4.256 1.985 ( -0.292 -0.028 0.239) 0.379 2.112 ( -0.816 -1.171 1.650) 2.181 2.218 ( -0.303 2.248 0.089) 2.270 2.383 ( 0.218 -0.763 0.588) 0.988 2.499 ( -0.258 -0.617 0.365) 0.762 2.527 ( 0.127 -1.467 -0.471) 1.546 2.594 ( 0.123 -0.013 0.451) 0.468 2.675 ( 1.184 -0.453 0.607) 1.405 2.874 ( -2.662 8.226 -2.070) 8.890 5.146 ( 1.801 13.882 -0.068) 13.999 5.258 ( -0.639 -0.364 2.911) 3.002 5.423 ( -2.730 -6.006 -4.258) 7.852 ======================= Grid point 299 (126/277) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -1.570 -3.504 1.223) 4.029 0.851 ( 0.655 -4.433 -1.571) 4.748 0.913 ( 1.030 -3.900 -0.530) 4.068 1.161 ( 1.183 0.418 -3.226) 3.462 1.517 ( 0.420 -1.601 -2.150) 2.713 1.674 ( -0.031 -6.583 -0.508) 6.603 1.985 ( -0.084 -0.057 0.327) 0.342 2.111 ( -1.393 1.290 2.993) 3.544 2.159 ( -0.718 4.186 0.768) 4.316 2.386 ( 0.537 0.505 0.727) 1.035 2.512 ( -0.502 -0.549 0.411) 0.849 2.527 ( -0.326 2.146 2.232) 3.114 2.592 ( 0.303 0.699 0.240) 0.799 2.665 ( 2.074 0.499 -1.643) 2.693 2.807 ( 0.060 -1.565 -5.453) 5.674 4.867 ( 0.158 13.793 0.043) 13.794 5.244 ( -0.415 1.100 1.937) 2.266 5.579 ( -0.502 -9.110 -2.270) 9.402 ======================= Grid point 300 (127/277) ======================= q-point: ( 0.42 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -0.728 -5.897 2.029) 6.279 0.944 ( 1.064 -5.534 -3.063) 6.414 0.992 ( 1.583 -3.899 -0.680) 4.263 1.139 ( 2.518 1.615 -4.372) 5.297 1.558 ( -0.409 -3.081 0.385) 3.131 1.771 ( -0.366 -3.906 0.082) 3.924 1.988 ( 0.022 -0.023 0.433) 0.434 2.066 ( -1.003 4.202 1.815) 4.686 2.078 ( -1.598 2.577 2.176) 3.733 2.382 ( 1.023 0.383 0.335) 1.143 2.474 ( -0.223 2.518 0.500) 2.577 2.526 ( -1.073 -0.537 0.653) 1.366 2.579 ( 0.926 1.084 -1.015) 1.750 2.672 ( 1.294 0.118 -1.449) 1.946 2.838 ( 1.947 -2.496 -5.158) 6.051 4.672 ( -0.040 6.923 0.031) 6.923 5.229 ( -0.622 0.776 1.751) 2.014 5.714 ( 0.062 -5.818 -0.712) 5.862 ======================= Grid point 301 (128/277) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -0.973 -3.642 1.780) 4.169 1.023 ( -0.271 -2.376 -0.519) 2.447 1.059 ( 2.852 -1.172 -4.247) 5.248 1.118 ( 2.019 -1.122 -3.690) 4.353 1.611 ( -0.644 -1.861 1.237) 2.326 1.818 ( -0.301 -1.274 0.565) 1.426 1.985 ( -0.603 0.252 0.808) 1.040 2.019 ( -0.567 0.320 0.368) 0.748 2.041 ( -1.285 1.115 3.360) 3.766 2.384 ( 1.206 0.160 -0.645) 1.377 2.432 ( -0.579 1.493 -0.570) 1.700 2.526 ( -0.849 0.232 0.903) 1.261 2.562 ( 0.921 0.531 -1.479) 1.822 2.654 ( 0.778 1.792 -1.035) 2.211 2.884 ( 2.657 -2.471 -4.831) 6.041 4.610 ( -0.051 -0.058 0.092) 0.120 5.219 ( -0.984 0.266 1.807) 2.075 5.786 ( 0.238 -1.892 -0.406) 1.949 ======================= Grid point 302 (129/277) ======================= q-point: (-0.42 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -2.596 1.035 1.225) 3.051 1.016 ( 0.603 4.052 -2.387) 4.741 1.023 ( -0.556 2.008 -0.766) 2.220 1.182 ( 2.329 -3.806 -5.753) 7.280 1.609 ( -0.816 1.907 0.508) 2.135 1.810 ( -0.076 2.514 -0.224) 2.526 1.982 ( -0.692 -0.044 0.716) 0.997 2.037 ( -2.119 -1.972 3.542) 4.574 2.062 ( 0.699 -2.902 1.412) 3.303 2.374 ( 0.042 0.533 -1.695) 1.777 2.433 ( -0.173 -1.865 0.805) 2.038 2.517 ( -0.054 0.678 0.903) 1.131 2.566 ( 0.380 -0.850 -1.055) 1.407 2.620 ( 0.964 1.879 -0.781) 2.252 2.918 ( 2.615 -0.974 -5.127) 5.837 4.671 ( -0.002 -6.423 0.071) 6.423 5.221 ( -1.268 -0.502 1.880) 2.323 5.780 ( 0.274 2.385 -1.440) 2.800 ======================= Grid point 303 (130/277) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -3.994 4.603 1.640) 6.311 0.899 ( -0.532 7.514 -1.492) 7.679 0.958 ( -0.811 4.150 -1.580) 4.514 1.223 ( 1.179 -0.689 -4.285) 4.498 1.554 ( 0.168 3.080 -1.144) 3.290 1.715 ( -0.141 7.280 -1.277) 7.392 1.984 ( -0.375 -0.256 0.472) 0.655 2.078 ( -1.337 -1.674 3.795) 4.358 2.142 ( 0.370 -4.371 1.010) 4.501 2.368 ( -0.308 -0.156 -0.184) 0.391 2.499 ( -0.714 -4.767 1.398) 5.018 2.508 ( 0.353 0.517 0.325) 0.705 2.585 ( -0.060 -1.097 -1.057) 1.525 2.600 ( 0.891 0.117 0.346) 0.963 2.917 ( 2.484 0.634 -5.352) 5.935 4.846 ( 0.250 -12.110 0.268) 12.116 5.236 ( -1.582 -1.218 2.031) 2.848 5.694 ( 0.438 6.074 -3.441) 6.994 ======================= Grid point 304 (131/277) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -3.704 6.743 1.996) 7.948 0.747 ( -1.700 7.500 2.488) 8.083 0.866 ( 0.659 4.530 -2.364) 5.152 1.181 ( -1.183 4.933 1.208) 5.214 1.495 ( 1.620 5.699 -2.642) 6.487 1.554 ( 1.187 6.514 -2.975) 7.259 1.989 ( -0.053 -0.270 -0.128) 0.303 2.093 ( -0.404 0.601 2.317) 2.428 2.218 ( 0.058 -3.351 0.379) 3.373 2.363 ( 0.509 1.350 0.268) 1.467 2.507 ( 0.039 -0.542 -0.297) 0.620 2.556 ( -1.165 -0.726 -0.179) 1.384 2.607 ( -1.364 -2.183 -0.119) 2.577 2.637 ( 0.121 -2.328 0.634) 2.416 2.927 ( 2.350 -3.486 -2.114) 4.706 5.103 ( 0.605 -13.808 0.270) 13.824 5.248 ( -1.640 0.696 2.008) 2.685 5.568 ( 0.436 4.431 -4.876) 6.603 ======================= Grid point 305 (132/277) ======================= q-point: (-0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( -1.768 6.266 3.968) 7.625 0.636 ( -2.394 5.001 8.249) 9.940 0.801 ( 3.016 2.433 -2.523) 4.624 1.042 ( -3.379 9.486 7.266) 12.418 1.289 ( 1.203 12.887 -1.939) 13.087 1.531 ( 4.413 -0.312 -5.585) 7.125 1.986 ( -0.053 0.660 -0.599) 0.893 2.069 ( 0.429 1.952 0.059) 1.999 2.267 ( -0.167 -1.841 -0.514) 1.919 2.298 ( 2.456 6.852 -1.662) 7.466 2.525 ( -2.089 -0.256 -0.439) 2.150 2.538 ( -0.999 -0.037 -0.122) 1.007 2.634 ( -0.760 -1.287 -0.348) 1.534 2.673 ( -2.023 -3.449 0.102) 4.000 3.086 ( 1.212 -11.053 3.549) 11.672 5.129 ( 0.415 11.811 -2.515) 12.083 5.285 ( -1.216 -5.207 -2.098) 5.744 5.640 ( -0.139 -13.089 0.851) 13.117 ======================= Grid point 306 (133/277) ======================= q-point: (-0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( 0.721 0.645 8.183) 8.240 0.570 ( -2.499 4.131 10.594) 11.642 0.792 ( 5.060 0.334 -2.403) 5.612 0.869 ( -5.790 8.306 12.874) 16.378 1.072 ( 2.341 9.656 -2.248) 10.187 1.548 ( 5.487 -0.431 -5.920) 8.083 1.958 ( 0.211 1.970 -0.636) 2.080 2.039 ( 0.467 1.164 -1.668) 2.087 2.135 ( 2.465 9.468 -1.953) 9.977 2.286 ( -0.599 -0.507 -0.777) 1.105 2.494 ( -2.569 0.772 2.143) 3.433 2.560 ( -0.191 -1.199 -1.436) 1.880 2.654 ( -0.650 -1.344 -1.756) 2.305 2.740 ( -4.787 -4.373 2.229) 6.856 3.320 ( -0.188 -11.353 3.616) 11.916 4.857 ( 0.541 14.584 -3.238) 14.949 5.325 ( -3.400 -1.816 -1.832) 4.268 5.916 ( -0.203 -13.019 1.380) 13.093 ======================= Grid point 308 (134/277) ======================= q-point: ( 0.08 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 3.307 0.000 4.878) 5.893 0.552 ( -3.369 -0.000 9.470) 10.051 0.819 ( -5.939 -0.000 14.282) 15.467 0.850 ( 4.025 0.000 -2.101) 4.540 0.997 ( 2.706 0.000 -2.727) 3.841 1.592 ( 5.666 0.000 -6.055) 8.293 1.937 ( 0.422 0.000 -0.671) 0.793 2.031 ( 0.478 0.000 1.068) 1.170 2.040 ( 0.902 0.000 -2.752) 2.897 2.271 ( -0.674 -0.000 -0.562) 0.878 2.473 ( -2.819 -0.000 3.178) 4.248 2.554 ( -0.265 -0.000 -1.281) 1.308 2.638 ( -0.885 -0.000 -1.758) 1.968 2.740 ( -3.484 -0.000 4.132) 5.404 3.409 ( -6.298 -0.000 2.799) 6.892 4.691 ( 0.092 0.000 -0.087) 0.127 5.296 ( -0.799 -0.000 0.612) 1.007 6.015 ( -4.118 -0.000 0.759) 4.187 ======================= Grid point 309 (135/277) ======================= q-point: ( 0.17 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 3.173 0.563 4.852) 5.825 0.636 ( -2.411 -5.331 8.722) 10.502 0.845 ( 2.835 0.826 -3.483) 4.566 0.891 ( -5.350 -6.091 10.656) 13.389 1.090 ( 1.976 -8.653 -2.604) 9.249 1.592 ( 5.088 1.080 -6.144) 8.050 1.959 ( 0.299 -1.831 -0.119) 1.859 2.025 ( -0.053 -1.087 -1.421) 1.790 2.151 ( 1.285 -9.030 -1.976) 9.333 2.264 ( -0.470 0.312 -0.563) 0.797 2.469 ( -2.644 -0.222 3.055) 4.047 2.540 ( -0.312 1.063 -0.822) 1.379 2.618 ( -0.811 1.006 -1.331) 1.855 2.708 ( -1.758 2.618 4.036) 5.122 3.287 ( -6.033 9.200 3.468) 11.536 4.826 ( -0.441 -12.797 -1.663) 12.912 5.290 ( 0.627 0.872 0.882) 1.389 5.876 ( -4.217 12.007 1.308) 12.793 ======================= Grid point 310 (136/277) ======================= q-point: ( 0.25 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 2.188 0.499 3.207) 3.914 0.731 ( -1.657 -3.337 7.833) 8.674 0.830 ( 1.881 0.263 -3.605) 4.075 1.032 ( -4.146 -7.822 4.926) 10.131 1.285 ( 1.050 -11.261 -2.400) 11.562 1.571 ( 3.944 1.659 -5.612) 7.057 1.981 ( -0.063 -0.386 0.104) 0.404 2.066 ( -0.440 -3.208 -0.260) 3.248 2.247 ( -0.296 1.176 -0.440) 1.289 2.319 ( 1.252 -7.236 -2.153) 7.652 2.478 ( -0.996 -1.403 1.793) 2.485 2.514 ( -0.519 0.986 -0.036) 1.115 2.596 ( -0.675 0.408 -0.416) 0.892 2.674 ( 0.135 0.978 2.189) 2.401 3.063 ( -4.781 12.085 2.271) 13.193 5.084 ( -0.433 -14.495 -1.809) 14.613 5.274 ( 1.988 1.872 0.290) 2.746 5.574 ( -4.014 17.238 1.202) 17.740 ======================= Grid point 311 (137/277) ======================= q-point: ( 0.33 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 0.515 0.445 2.165) 2.270 0.792 ( -0.270 -2.476 2.548) 3.563 0.854 ( 1.132 -2.679 -0.689) 2.989 1.133 ( -1.502 -3.488 0.878) 3.898 1.464 ( 1.076 -6.345 -3.593) 7.371 1.566 ( 1.797 -2.494 -2.036) 3.687 1.984 ( -0.201 -0.094 0.165) 0.276 2.111 ( -1.079 -1.384 1.345) 2.211 2.215 ( -0.417 2.093 0.076) 2.136 2.388 ( 0.250 -0.998 0.345) 1.086 2.499 ( -0.399 -0.203 0.430) 0.621 2.531 ( 1.107 -2.163 -0.256) 2.443 2.599 ( 0.206 -0.609 0.745) 0.984 2.690 ( 1.070 -1.227 0.400) 1.677 2.832 ( -3.324 9.084 -1.391) 9.773 5.161 ( 1.326 15.436 -0.878) 15.517 5.269 ( -0.751 0.012 3.229) 3.316 5.380 ( -1.424 -8.454 -2.517) 8.935 ======================= Grid point 312 (138/277) ======================= q-point: ( 0.42 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 0.381 -3.227 3.176) 4.544 0.853 ( 0.922 -3.907 -0.616) 4.062 0.925 ( 1.381 -4.007 0.291) 4.249 1.160 ( 1.660 0.081 -2.450) 2.960 1.511 ( 0.545 -1.823 -1.606) 2.490 1.675 ( 0.343 -6.271 0.012) 6.280 1.986 ( -0.025 -0.198 0.255) 0.324 2.111 ( -1.613 1.076 2.416) 3.098 2.154 ( -0.998 4.352 0.593) 4.504 2.395 ( 0.686 0.270 0.390) 0.834 2.507 ( -0.752 -0.815 0.276) 1.143 2.536 ( -0.472 3.101 2.118) 3.784 2.595 ( -0.012 0.830 0.240) 0.864 2.672 ( 1.710 0.774 -2.556) 3.172 2.784 ( 0.926 -2.836 -4.043) 5.025 4.867 ( -0.136 13.823 -0.238) 13.826 5.251 ( -0.306 1.283 1.776) 2.213 5.569 ( 0.381 -9.573 -0.743) 9.610 ======================= Grid point 313 (139/277) ======================= q-point: ( 0.50 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 0.421 -5.262 3.353) 6.254 0.942 ( 1.504 -5.076 -2.225) 5.743 1.007 ( 1.629 -3.669 -0.016) 4.014 1.143 ( 2.861 1.754 -3.831) 5.093 1.560 ( -0.112 -3.214 0.987) 3.364 1.770 ( -0.071 -3.776 0.501) 3.810 1.990 ( -0.040 -0.024 0.503) 0.505 2.060 ( -1.088 4.324 0.137) 4.460 2.077 ( -1.745 2.185 3.251) 4.288 2.394 ( 1.162 0.317 -0.025) 1.205 2.470 ( -0.816 2.995 0.017) 3.104 2.518 ( -0.963 -0.614 0.315) 1.185 2.582 ( 0.723 1.061 -1.059) 1.665 2.674 ( 0.825 0.137 -1.834) 2.015 2.835 ( 2.637 -2.737 -4.175) 5.646 4.672 ( -0.067 6.858 0.016) 6.858 5.232 ( -0.653 0.954 1.646) 2.011 5.715 ( 0.531 -5.807 0.054) 5.832 ======================= Grid point 314 (140/277) ======================= q-point: (-0.42 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -1.027 -2.364 1.725) 3.102 1.015 ( -0.118 -1.947 -1.089) 2.234 1.066 ( 2.639 -0.543 -3.599) 4.496 1.119 ( 2.152 -0.573 -3.702) 4.320 1.611 ( -0.657 -1.430 1.189) 1.973 1.818 ( -0.273 -1.265 0.632) 1.440 1.985 ( -0.421 0.594 0.805) 1.085 2.013 ( -1.156 0.041 1.084) 1.585 2.049 ( -0.831 0.553 2.795) 2.968 2.390 ( 0.929 1.150 -1.601) 2.179 2.424 ( -0.446 0.807 0.090) 0.926 2.522 ( -0.720 -0.208 0.713) 1.034 2.564 ( 0.920 0.653 -1.262) 1.693 2.656 ( 0.703 1.539 -1.010) 1.970 2.884 ( 2.671 -2.258 -4.760) 5.907 4.610 ( -0.051 -0.050 0.092) 0.116 5.220 ( -0.981 0.385 1.803) 2.088 5.786 ( 0.226 -1.559 -0.411) 1.628 ======================= Grid point 315 (141/277) ======================= q-point: (-0.33 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -3.182 1.895 0.601) 3.752 1.003 ( -0.611 2.680 -1.430) 3.099 1.012 ( 0.478 4.318 -3.213) 5.403 1.172 ( 2.194 -3.368 -6.025) 7.243 1.600 ( -1.037 2.043 -0.109) 2.294 1.805 ( -0.406 2.859 -0.507) 2.932 1.980 ( -0.457 -0.044 0.671) 0.813 2.038 ( -1.811 -2.481 3.854) 4.928 2.077 ( 0.417 -2.842 1.520) 3.250 2.364 ( -0.173 0.456 -1.217) 1.311 2.440 ( 0.334 -1.841 1.057) 2.149 2.522 ( -0.130 0.383 1.140) 1.210 2.565 ( 0.704 -0.638 -1.127) 1.474 2.628 ( 1.255 1.647 -0.462) 2.122 2.911 ( 2.024 -0.750 -5.754) 6.145 4.671 ( 0.003 -6.521 0.081) 6.521 5.219 ( -1.130 -0.379 1.948) 2.284 5.771 ( -0.184 2.826 -2.012) 3.474 ======================= Grid point 316 (142/277) ======================= q-point: (-0.25 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -4.368 4.450 0.845) 6.293 0.884 ( -0.370 7.293 -2.098) 7.597 0.939 ( -0.641 3.881 -2.212) 4.513 1.207 ( 0.804 -0.883 -4.585) 4.738 1.546 ( 0.175 2.535 -1.866) 3.153 1.704 ( -0.416 7.266 -1.362) 7.404 1.983 ( -0.284 -0.281 0.497) 0.637 2.087 ( -1.216 -1.772 3.946) 4.494 2.151 ( 0.246 -4.046 0.961) 4.165 2.366 ( -0.206 -0.546 0.449) 0.736 2.501 ( -0.381 -4.024 1.386) 4.273 2.513 ( 0.045 0.713 0.687) 0.991 2.581 ( 0.319 -0.781 -0.735) 1.120 2.614 ( 1.398 0.106 0.236) 1.422 2.904 ( 1.380 0.181 -6.105) 6.262 4.851 ( 0.348 -12.455 0.379) 12.466 5.233 ( -1.275 -1.041 2.108) 2.674 5.671 ( -0.486 6.430 -4.227) 7.710 ======================= Grid point 317 (143/277) ======================= q-point: (-0.17 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -3.295 5.501 1.679) 6.628 0.750 ( -0.850 6.271 2.949) 6.982 0.859 ( 0.866 3.488 -2.825) 4.571 1.173 ( -1.517 4.101 0.875) 4.460 1.493 ( 1.199 6.202 -3.054) 7.017 1.552 ( 1.668 5.001 -3.008) 6.070 1.988 ( -0.160 -0.153 0.088) 0.238 2.102 ( -0.434 0.729 2.205) 2.363 2.220 ( -0.015 -3.002 0.175) 3.007 2.370 ( 0.372 0.863 0.599) 1.114 2.504 ( -0.273 -0.022 -0.098) 0.291 2.543 ( -0.934 0.065 -0.446) 1.037 2.596 ( -0.610 -1.438 -0.187) 1.573 2.646 ( 0.607 -1.241 0.888) 1.643 2.928 ( 0.442 -5.519 -2.497) 6.074 5.113 ( 0.996 -13.376 0.365) 13.418 5.246 ( -1.125 0.694 2.197) 2.564 5.532 ( -1.431 4.120 -5.489) 7.011 ======================= Grid point 318 (144/277) ======================= q-point: (-0.08 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( -0.161 3.840 4.888) 6.218 0.665 ( -1.489 4.258 8.498) 9.621 0.817 ( 2.975 1.079 -2.939) 4.318 1.046 ( -3.485 8.818 6.508) 11.500 1.289 ( 1.049 12.315 -2.008) 12.521 1.546 ( 4.656 -0.839 -5.744) 7.441 1.983 ( -0.094 0.713 -0.209) 0.749 2.072 ( 0.118 2.359 -0.062) 2.362 2.261 ( -0.240 -1.458 -0.822) 1.691 2.311 ( 2.007 6.711 -1.974) 7.278 2.501 ( -2.413 0.681 0.590) 2.576 2.529 ( -0.653 -0.903 -0.290) 1.152 2.621 ( -1.163 -1.456 -0.532) 1.937 2.661 ( -0.732 -1.819 0.711) 2.086 3.103 ( -1.230 -11.897 2.708) 12.263 5.117 ( 0.251 12.625 -2.867) 12.949 5.265 ( -0.672 -3.330 -1.233) 3.614 5.632 ( -2.287 -15.200 0.867) 15.396 ======================= Grid point 321 (145/277) ======================= q-point: ( 0.17 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 3.305 0.000 2.062) 3.895 0.566 ( -3.823 -0.000 8.265) 9.107 0.835 ( -5.402 -0.000 11.700) 12.887 0.870 ( 1.909 0.000 -1.804) 2.627 1.006 ( 2.326 0.000 -3.316) 4.051 1.612 ( 4.911 0.000 -6.195) 7.906 1.937 ( 0.352 0.000 -0.629) 0.721 2.033 ( 0.605 0.000 -2.576) 2.646 2.039 ( 0.233 0.000 0.420) 0.480 2.264 ( -0.278 -0.000 0.057) 0.283 2.462 ( -2.611 -0.000 3.210) 4.138 2.546 ( -0.220 -0.000 -0.814) 0.844 2.622 ( -0.562 -0.000 -1.085) 1.222 2.740 ( -2.005 -0.000 5.491) 5.845 3.352 ( -8.044 -0.000 3.502) 8.773 4.691 ( 0.077 0.000 -0.109) 0.134 5.307 ( 1.473 0.000 1.680) 2.234 5.971 ( -5.142 -0.000 0.750) 5.197 ======================= Grid point 322 (146/277) ======================= q-point: ( 0.25 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 3.096 0.510 1.703) 3.570 0.654 ( -3.179 -6.456 7.580) 10.452 0.845 ( 1.442 0.933 -3.874) 4.237 0.892 ( -5.746 -4.607 9.504) 12.024 1.093 ( 1.751 -8.411 -3.007) 9.102 1.605 ( 4.199 1.295 -6.205) 7.603 1.962 ( 0.342 -1.991 -0.049) 2.021 2.016 ( -0.017 -0.839 -1.422) 1.651 2.150 ( 0.681 -8.940 -2.147) 9.219 2.260 ( -0.080 0.473 0.140) 0.500 2.462 ( -2.018 -0.409 3.085) 3.709 2.534 ( -0.157 0.974 -0.383) 1.058 2.605 ( -0.368 1.032 -0.715) 1.308 2.721 ( -0.965 2.422 5.220) 5.835 3.238 ( -7.183 8.176 3.326) 11.380 4.815 ( -0.333 -12.035 -0.841) 12.069 5.313 ( 2.213 0.995 1.724) 2.976 5.835 ( -4.883 11.373 0.718) 12.398 ======================= Grid point 323 (147/277) ======================= q-point: ( 0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 1.909 1.258 0.999) 2.495 0.753 ( -2.392 -3.148 7.035) 8.070 0.826 ( 1.311 -0.231 -3.398) 3.650 1.016 ( -4.345 -7.853 4.820) 10.187 1.282 ( 1.225 -11.001 -2.636) 11.378 1.577 ( 3.151 1.728 -5.318) 6.418 1.982 ( 0.132 -0.154 -0.059) 0.211 2.060 ( -0.563 -3.417 -0.240) 3.471 2.242 ( -0.201 1.156 -0.193) 1.189 2.318 ( 0.973 -7.451 -1.976) 7.769 2.484 ( 0.086 -2.216 2.063) 3.029 2.510 ( -0.218 1.184 0.151) 1.214 2.588 ( -0.431 0.066 -0.162) 0.465 2.690 ( 0.087 1.399 3.010) 3.321 3.023 ( -5.388 11.611 2.146) 12.979 5.073 ( -0.166 -14.869 -0.783) 14.890 5.302 ( 2.772 1.936 0.739) 3.461 5.538 ( -4.169 17.110 0.902) 17.633 ======================= Grid point 324 (148/277) ======================= q-point: ( 0.42 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 1.224 0.492 2.414) 2.751 0.802 ( -0.458 -2.267 2.430) 3.354 0.863 ( 0.811 -3.253 0.309) 3.366 1.126 ( -1.078 -4.164 1.358) 4.511 1.456 ( 1.410 -6.061 -3.435) 7.108 1.573 ( 1.499 -2.793 -1.521) 3.515 1.983 ( -0.006 -0.127 0.041) 0.134 2.105 ( -1.318 -1.498 1.133) 2.295 2.210 ( -0.489 2.206 0.035) 2.260 2.392 ( 0.254 -1.346 0.000) 1.369 2.496 ( -0.403 0.106 0.247) 0.484 2.546 ( 1.632 -1.862 0.096) 2.478 2.607 ( 0.400 -1.253 0.979) 1.639 2.701 ( 0.798 -2.017 0.223) 2.181 2.792 ( -3.286 9.680 -0.661) 10.244 5.160 ( -0.040 16.461 -1.797) 16.558 5.279 ( -0.940 0.285 3.258) 3.403 5.369 ( 0.973 -10.209 -0.482) 10.267 ======================= Grid point 325 (149/277) ======================= q-point: ( 0.50 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 1.696 -3.189 4.876) 6.068 0.863 ( 1.045 -3.754 0.381) 3.915 0.943 ( 1.307 -4.195 0.920) 4.489 1.167 ( 2.172 -0.221 -1.869) 2.874 1.510 ( 0.714 -2.234 -0.874) 2.503 1.681 ( 0.698 -6.036 0.411) 6.091 1.988 ( -0.008 -0.282 0.256) 0.381 2.105 ( -1.832 0.983 1.897) 2.815 2.146 ( -1.184 4.423 0.440) 4.600 2.404 ( 0.730 0.013 -0.020) 0.731 2.500 ( -0.784 -0.630 0.134) 1.014 2.539 ( -1.064 4.165 1.661) 4.609 2.595 ( -0.267 0.788 0.069) 0.835 2.671 ( 1.251 0.747 -3.160) 3.480 2.782 ( 2.240 -3.692 -2.523) 5.002 4.862 ( -0.367 13.480 -0.442) 13.492 5.257 ( -0.392 1.518 1.648) 2.274 5.578 ( 1.336 -9.528 0.534) 9.636 ======================= Grid point 326 (150/277) ======================= q-point: (-0.42 -0.83 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 1.015 -3.795 4.313) 5.834 0.949 ( 1.876 -4.436 -1.477) 5.038 1.024 ( 1.289 -3.291 0.480) 3.566 1.154 ( 3.178 2.083 -3.521) 5.180 1.567 ( 0.124 -3.179 1.538) 3.533 1.775 ( 0.229 -3.496 0.826) 3.599 1.993 ( -0.182 -0.073 0.665) 0.694 2.049 ( -1.026 4.045 -0.037) 4.173 2.076 ( -1.976 1.955 2.910) 4.025 2.405 ( 1.136 0.277 -0.587) 1.309 2.458 ( -1.297 3.152 -0.168) 3.412 2.511 ( -0.535 -0.628 0.002) 0.824 2.582 ( 0.464 0.932 -1.071) 1.494 2.668 ( 0.305 -0.052 -2.154) 2.176 2.844 ( 3.287 -2.419 -3.373) 5.295 4.671 ( -0.077 6.723 0.012) 6.724 5.234 ( -0.783 1.083 1.571) 2.063 5.725 ( 0.955 -5.339 0.607) 5.458 ======================= Grid point 327 (151/277) ======================= q-point: (-0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -1.084 -0.435 1.804) 2.149 1.010 ( 0.361 -1.081 -1.126) 1.602 1.071 ( 2.229 0.282 -3.572) 4.220 1.120 ( 2.190 0.144 -3.731) 4.329 1.611 ( -0.675 -0.614 1.147) 1.466 1.819 ( -0.265 -0.904 0.599) 1.116 1.986 ( -0.227 0.793 0.704) 1.085 2.009 ( -1.260 -0.375 1.739) 2.180 2.054 ( -1.014 -0.076 2.310) 2.524 2.383 ( 0.070 1.983 -1.966) 2.793 2.427 ( 0.411 -0.243 0.562) 0.737 2.520 ( -0.320 -0.555 0.554) 0.847 2.566 ( 0.752 0.545 -1.127) 1.460 2.657 ( 0.546 0.903 -1.075) 1.507 2.885 ( 2.690 -1.439 -4.759) 5.653 4.610 ( -0.051 -0.030 0.092) 0.109 5.220 ( -0.994 0.401 1.796) 2.091 5.786 ( 0.216 -0.809 -0.416) 0.935 ======================= Grid point 328 (152/277) ======================= q-point: (-0.25 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -3.323 3.018 0.238) 4.496 0.989 ( -0.608 2.425 -1.212) 2.778 0.996 ( 0.750 5.687 -4.430) 7.248 1.160 ( 2.148 -2.731 -5.950) 6.890 1.587 ( -1.069 2.281 -0.447) 2.559 1.796 ( -0.630 3.269 -0.639) 3.390 1.980 ( -0.231 0.007 0.616) 0.658 2.043 ( -1.531 -2.939 4.037) 5.223 2.087 ( -0.135 -2.929 1.321) 3.216 2.358 ( 0.037 0.100 -0.419) 0.432 2.451 ( 0.501 -1.774 1.120) 2.157 2.527 ( -0.181 0.222 1.210) 1.243 2.567 ( 0.862 -0.560 -1.068) 1.483 2.640 ( 1.499 1.196 -0.483) 1.978 2.895 ( 1.553 -0.107 -6.165) 6.358 4.672 ( 0.008 -6.652 0.082) 6.652 5.220 ( -0.966 -0.360 1.968) 2.221 5.755 ( -0.485 3.619 -2.236) 4.281 ======================= Grid point 329 (153/277) ======================= q-point: (-0.17 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -4.184 4.200 0.142) 5.930 0.869 ( -0.030 6.503 -2.295) 6.896 0.921 ( -0.248 3.733 -2.185) 4.332 1.188 ( 0.693 -0.886 -4.473) 4.613 1.537 ( 0.253 2.003 -2.303) 3.063 1.692 ( -0.485 7.126 -1.273) 7.255 1.983 ( -0.208 -0.228 0.486) 0.576 2.097 ( -1.180 -1.725 3.838) 4.370 2.158 ( -0.049 -3.904 0.921) 4.012 2.369 ( 0.034 -0.743 0.852) 1.131 2.506 ( -0.165 -3.108 1.335) 3.386 2.516 ( -0.297 0.782 1.040) 1.334 2.582 ( 0.501 -0.647 -0.299) 0.871 2.631 ( 1.905 0.048 -0.235) 1.920 2.877 ( 0.446 0.134 -6.430) 6.447 4.857 ( 0.410 -12.922 0.395) 12.935 5.234 ( -0.941 -0.966 2.128) 2.519 5.638 ( -1.042 7.228 -4.293) 8.471 ======================= Grid point 330 (154/277) ======================= q-point: (-0.08 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -2.258 3.480 1.633) 4.458 0.762 ( -0.312 4.794 3.229) 5.788 0.852 ( 1.012 2.655 -2.766) 3.965 1.160 ( -1.676 3.436 0.616) 3.872 1.485 ( 0.875 6.593 -3.343) 7.443 1.554 ( 2.001 3.565 -2.917) 5.023 1.987 ( -0.261 -0.055 0.220) 0.346 2.109 ( -0.585 0.932 1.964) 2.251 2.220 ( -0.156 -2.600 0.093) 2.606 2.377 ( 0.236 0.680 0.691) 0.998 2.501 ( -0.333 0.513 0.116) 0.622 2.532 ( -0.514 0.719 -0.506) 1.018 2.592 ( -0.090 -0.633 0.101) 0.647 2.659 ( 1.006 -0.363 0.803) 1.337 2.909 ( -1.346 -7.082 -2.483) 7.624 5.128 ( 1.498 -13.247 0.293) 13.335 5.250 ( -0.759 0.583 2.521) 2.697 5.479 ( -2.627 4.583 -5.269) 7.461 ======================= Grid point 334 (155/277) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 2.554 0.000 -0.721) 2.654 0.568 ( -4.487 -0.000 7.149) 8.440 0.840 ( -4.890 -0.000 8.657) 9.942 0.869 ( -0.641 -0.000 -0.820) 1.041 1.007 ( 1.889 0.000 -4.020) 4.442 1.621 ( 3.752 0.000 -6.349) 7.375 1.937 ( 0.428 0.000 -0.517) 0.672 2.024 ( 0.677 0.000 -2.500) 2.590 2.039 ( -0.306 -0.000 -0.428) 0.526 2.266 ( 0.220 0.000 0.796) 0.826 2.457 ( -1.941 -0.000 3.096) 3.654 2.541 ( -0.027 -0.000 -0.377) 0.378 2.615 ( 0.116 0.000 -0.271) 0.295 2.760 ( -1.195 -0.000 7.059) 7.159 3.285 ( -8.522 -0.000 3.412) 9.180 4.691 ( 0.061 0.000 -0.136) 0.149 5.342 ( 2.791 0.000 2.538) 3.773 5.917 ( -5.638 -0.000 -0.003) 5.638 ======================= Grid point 335 (156/277) ======================= q-point: ( 0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 1.617 0.417 -1.652) 2.348 0.658 ( -3.855 -7.556 6.759) 10.846 0.832 ( 0.909 1.086 -4.812) 5.017 0.882 ( -6.727 -3.914 9.718) 12.450 1.092 ( 1.531 -8.460 -3.478) 9.274 1.607 ( 3.040 1.328 -6.216) 7.046 1.966 ( 0.429 -2.167 -0.106) 2.212 2.009 ( 0.277 -0.590 -1.446) 1.586 2.140 ( 0.104 -8.887 -2.449) 9.218 2.264 ( 0.363 0.609 0.859) 1.114 2.464 ( -1.114 -0.776 3.018) 3.309 2.532 ( 0.087 0.886 -0.045) 0.892 2.603 ( 0.331 1.247 -0.017) 1.290 2.746 ( -0.663 2.668 6.546) 7.100 3.179 ( -7.434 7.297 2.901) 10.813 4.810 ( -0.020 -11.724 -0.229) 11.726 5.352 ( 2.956 1.356 2.403) 4.044 5.784 ( -5.160 10.668 -0.234) 11.853 ======================= Grid point 336 (157/277) ======================= q-point: ( 0.42 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 0.634 0.754 -0.975) 1.386 0.762 ( -3.254 -3.174 6.153) 7.650 0.819 ( 0.724 -1.271 -2.937) 3.281 1.000 ( -4.042 -8.232 5.200) 10.542 1.280 ( 1.409 -11.028 -2.806) 11.467 1.575 ( 2.273 1.485 -5.047) 5.731 1.983 ( 0.480 0.035 -0.383) 0.615 2.053 ( -0.578 -3.388 -0.081) 3.438 2.240 ( -0.139 0.887 -0.181) 0.916 2.316 ( 0.645 -7.212 -1.715) 7.441 2.501 ( 0.841 -2.316 1.555) 2.914 2.513 ( 0.512 0.487 1.018) 1.239 2.585 ( -0.054 0.236 0.109) 0.265 2.710 ( -0.163 2.172 3.806) 4.385 2.978 ( -5.395 10.872 1.894) 12.284 5.072 ( 0.388 -14.940 0.174) 14.946 5.338 ( 3.057 2.221 1.069) 3.927 5.498 ( -4.087 16.355 0.370) 16.862 ======================= Grid point 337 (158/277) ======================= q-point: (-0.50 -0.75 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 1.185 -0.997 2.569) 3.000 0.810 ( -0.957 -2.705 2.855) 4.048 0.872 ( 0.349 -4.014 0.616) 4.076 1.127 ( -0.478 -4.948 1.793) 5.284 1.454 ( 1.710 -5.847 -3.064) 6.819 1.579 ( 1.211 -3.541 -1.274) 3.953 1.984 ( 0.215 -0.100 -0.082) 0.251 2.097 ( -1.469 -1.462 1.068) 2.332 2.205 ( -0.481 2.536 0.046) 2.581 2.393 ( 0.129 -1.773 -0.416) 1.826 2.494 ( -0.125 0.356 0.010) 0.378 2.562 ( 1.101 -0.632 0.300) 1.305 2.619 ( 0.678 -1.384 1.313) 2.025 2.710 ( 0.880 -2.836 0.110) 2.971 2.758 ( -2.630 9.575 -0.181) 9.932 5.142 ( -0.945 15.928 -1.979) 16.078 5.286 ( -1.174 0.143 3.077) 3.297 5.391 ( 2.906 -9.925 0.697) 10.365 ======================= Grid point 338 (159/277) ======================= q-point: (-0.42 -0.75 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 1.862 -3.424 5.516) 6.754 0.878 ( 0.982 -3.929 1.107) 4.199 0.961 ( 0.857 -4.446 1.333) 4.720 1.182 ( 2.587 -0.421 -1.632) 3.088 1.515 ( 0.876 -2.722 -0.114) 2.862 1.693 ( 0.944 -5.962 0.535) 6.060 1.989 ( -0.069 -0.290 0.329) 0.444 2.095 ( -1.968 1.005 1.614) 2.736 2.136 ( -1.174 4.459 0.394) 4.628 2.409 ( 0.490 -0.256 -0.503) 0.747 2.494 ( -0.503 -0.241 0.030) 0.559 2.533 ( -1.601 4.851 1.107) 5.226 2.591 ( -0.351 0.587 -0.037) 0.685 2.663 ( 0.679 0.809 -3.145) 3.318 2.800 ( 3.451 -3.875 -1.705) 5.462 4.855 ( -0.427 12.930 -0.500) 12.947 5.261 ( -0.691 1.733 1.593) 2.453 5.601 ( 2.126 -9.065 1.211) 9.389 ======================= Grid point 339 (160/277) ======================= q-point: (-0.33 -0.75 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 0.875 -2.147 4.538) 5.096 0.964 ( 2.208 -3.836 -0.994) 4.537 1.038 ( 0.630 -2.847 0.746) 3.010 1.168 ( 3.308 2.558 -3.533) 5.474 1.579 ( 0.231 -2.949 1.916) 3.525 1.784 ( 0.456 -3.123 0.950) 3.296 1.994 ( -0.431 -0.146 0.852) 0.965 2.039 ( -0.720 3.726 0.016) 3.795 2.070 ( -2.232 1.691 2.599) 3.820 2.408 ( 0.552 0.569 -1.419) 1.625 2.445 ( -0.982 2.668 0.208) 2.851 2.507 ( -0.104 -0.695 -0.193) 0.729 2.579 ( 0.221 0.784 -0.954) 1.254 2.656 ( -0.104 -0.367 -2.361) 2.392 2.862 ( 3.702 -1.688 -3.043) 5.081 4.671 ( -0.065 6.570 0.017) 6.570 5.234 ( -0.979 1.125 1.549) 2.151 5.741 ( 1.231 -4.549 0.807) 4.781 ======================= Grid point 340 (161/277) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -1.087 1.611 1.937) 2.744 1.010 ( 0.846 -0.070 -0.895) 1.233 1.070 ( 1.868 1.208 -3.893) 4.484 1.121 ( 2.101 0.795 -3.747) 4.369 1.611 ( -0.680 0.360 1.154) 1.387 1.819 ( -0.288 -0.284 0.496) 0.640 1.988 ( -0.149 0.801 0.621) 1.024 2.007 ( -1.075 -0.789 2.056) 2.450 2.054 ( -1.421 -0.594 1.994) 2.520 2.374 ( 0.062 1.690 -1.335) 2.154 2.435 ( 0.537 -0.640 0.332) 0.899 2.522 ( 0.019 -0.806 0.522) 0.961 2.566 ( 0.561 0.343 -1.132) 1.309 2.656 ( 0.450 0.014 -1.171) 1.255 2.885 ( 2.694 -0.236 -4.828) 5.534 4.610 ( -0.051 -0.001 0.092) 0.105 5.220 ( -1.010 0.309 1.792) 2.081 5.786 ( 0.218 0.158 -0.417) 0.496 ======================= Grid point 341 (162/277) ======================= q-point: (-0.17 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -2.920 4.319 0.276) 5.221 0.973 ( -0.065 4.619 -3.191) 5.614 0.984 ( 0.910 4.452 -2.612) 5.242 1.149 ( 2.168 -2.123 -5.576) 6.348 1.574 ( -0.940 2.561 -0.445) 2.764 1.786 ( -0.688 3.628 -0.572) 3.736 1.982 ( -0.069 0.046 0.534) 0.540 2.052 ( -1.310 -3.289 3.981) 5.327 2.089 ( -0.742 -3.091 1.053) 3.349 2.361 ( 0.468 -0.217 0.235) 0.567 2.462 ( 0.379 -1.834 1.077) 2.160 2.531 ( -0.387 0.281 1.162) 1.257 2.570 ( 0.945 -0.709 -1.025) 1.564 2.653 ( 1.642 0.648 -0.718) 1.906 2.873 ( 1.335 0.807 -6.251) 6.442 4.672 ( 0.006 -6.791 0.071) 6.791 5.222 ( -0.808 -0.440 1.935) 2.142 5.737 ( -0.538 4.550 -2.043) 5.016 ======================= Grid point 342 (163/277) ======================= q-point: (-0.08 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -3.262 3.871 0.103) 5.063 0.857 ( 0.330 5.385 -2.149) 5.808 0.911 ( 0.385 3.787 -1.479) 4.084 1.172 ( 0.838 -0.712 -3.974) 4.123 1.526 ( 0.334 1.658 -2.398) 2.935 1.681 ( -0.336 6.888 -0.977) 6.965 1.984 ( -0.147 -0.102 0.422) 0.458 2.106 ( -1.239 -1.542 3.499) 4.019 2.161 ( -0.396 -3.989 0.876) 4.103 2.376 ( 0.321 -0.695 0.924) 1.199 2.512 ( -0.117 -1.317 0.829) 1.560 2.520 ( -0.520 -0.344 1.762) 1.869 2.587 ( 0.494 -0.622 0.049) 0.796 2.650 ( 2.164 -0.160 -0.868) 2.337 2.841 ( -0.065 0.585 -6.237) 6.264 4.863 ( 0.362 -13.428 0.281) 13.436 5.237 ( -0.643 -0.992 2.069) 2.383 5.604 ( -1.043 8.233 -3.582) 9.039 ======================= Grid point 347 (164/277) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -5.221 -0.000 6.350) 8.221 0.562 ( 0.868 0.000 -3.164) 3.281 0.834 ( -2.387 -0.000 2.306) 3.319 0.849 ( -4.925 -0.000 4.398) 6.603 0.999 ( 1.508 0.000 -4.652) 4.890 1.616 ( 2.430 0.000 -6.450) 6.893 1.939 ( 0.467 0.000 -0.639) 0.791 2.019 ( 1.080 0.000 -2.548) 2.768 2.029 ( -0.704 -0.000 -0.781) 1.052 2.276 ( 0.550 0.000 1.251) 1.367 2.459 ( -1.011 -0.000 3.007) 3.172 2.541 ( 0.314 0.000 -0.033) 0.315 2.621 ( 0.863 0.000 0.387) 0.945 2.795 ( -0.812 -0.000 8.686) 8.724 3.216 ( -8.277 -0.000 2.977) 8.796 4.691 ( 0.046 0.000 -0.160) 0.166 5.391 ( 3.291 0.000 3.182) 4.578 5.855 ( -5.735 -0.000 -1.018) 5.825 ======================= Grid point 348 (165/277) ======================= q-point: (-0.58 -0.67 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -1.005 0.017 -3.494) 3.636 0.652 ( -4.303 -8.059 5.657) 10.746 0.809 ( 0.467 0.919 -5.821) 5.911 0.868 ( -7.130 -3.916 10.777) 13.502 1.085 ( 1.322 -8.779 -3.894) 9.694 1.597 ( 1.892 1.167 -6.193) 6.580 1.970 ( 0.528 -2.382 -0.313) 2.459 2.006 ( 0.791 -0.338 -1.459) 1.693 2.125 ( -0.266 -8.784 -2.471) 9.129 2.276 ( 0.571 0.691 1.171) 1.475 2.475 ( -0.024 -1.247 3.005) 3.253 2.535 ( 0.419 0.869 0.163) 0.978 2.612 ( 0.999 1.536 0.520) 1.905 2.781 ( -0.655 3.311 7.737) 8.441 3.119 ( -7.110 6.541 2.473) 9.973 4.812 ( 0.378 -11.940 0.208) 11.948 5.399 ( 3.136 1.848 2.830) 4.611 5.727 ( -5.033 9.901 -1.126) 11.164 ======================= Grid point 349 (166/277) ======================= q-point: (-0.50 -0.67 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( -0.782 -0.885 -1.702) 2.072 0.756 ( -4.456 -3.639 5.517) 7.972 0.807 ( 0.174 -2.424 -2.663) 3.605 0.993 ( -3.343 -8.709 5.668) 10.916 1.279 ( 1.509 -11.357 -2.862) 11.809 1.566 ( 1.542 0.974 -4.929) 5.256 1.987 ( 0.887 0.187 -0.747) 1.174 2.047 ( -0.513 -3.154 0.149) 3.198 2.237 ( -0.087 0.119 -0.294) 0.329 2.312 ( 0.303 -6.343 -1.458) 6.515 2.511 ( 0.557 0.900 0.131) 1.067 2.539 ( 2.042 -3.559 2.605) 4.861 2.589 ( 0.440 0.938 0.361) 1.097 2.730 ( -0.431 3.123 4.367) 5.386 2.934 ( -5.023 10.010 1.644) 11.320 5.083 ( 1.014 -14.818 0.926) 14.881 5.377 ( 3.157 2.572 1.065) 4.209 5.458 ( -3.810 15.223 0.008) 15.693 ======================= Grid point 350 (167/277) ======================= q-point: (-0.42 -0.67 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.554 -3.186 2.651) 4.181 0.814 ( -1.879 -3.664 3.286) 5.267 0.877 ( 0.031 -4.897 0.514) 4.924 1.136 ( 0.080 -5.608 2.010) 5.958 1.456 ( 1.886 -5.773 -2.561) 6.591 1.583 ( 0.965 -4.591 -1.421) 4.902 1.986 ( 0.377 0.006 -0.187) 0.421 2.088 ( -1.478 -1.287 1.170) 2.282 2.202 ( -0.357 2.953 0.200) 2.981 2.389 ( -0.156 -2.183 -0.839) 2.344 2.494 ( 0.264 0.605 -0.251) 0.707 2.571 ( 0.261 0.419 0.404) 0.638 2.632 ( -0.144 0.426 1.778) 1.834 2.723 ( 0.812 0.365 0.297) 0.939 2.737 ( -0.358 4.247 -0.413) 4.282 5.122 ( -0.962 15.228 -1.592) 15.341 5.289 ( -1.553 -0.063 2.864) 3.258 5.432 ( 3.963 -9.243 0.859) 10.094 ======================= Grid point 351 (168/277) ======================= q-point: (-0.33 -0.67 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 1.007 -3.809 5.097) 6.443 0.895 ( 0.741 -4.484 1.383) 4.750 0.975 ( 0.226 -4.641 1.444) 4.866 1.200 ( 2.775 -0.466 -1.778) 3.329 1.526 ( 0.945 -3.180 0.477) 3.352 1.706 ( 1.011 -6.095 0.320) 6.187 1.990 ( -0.206 -0.218 0.414) 0.511 2.084 ( -1.982 1.066 1.718) 2.831 2.127 ( -0.905 4.566 0.479) 4.679 2.407 ( -0.039 -0.427 -0.986) 1.075 2.491 ( 0.019 0.107 -0.050) 0.120 2.521 ( -1.641 4.933 0.847) 5.268 2.588 ( -0.385 0.525 0.103) 0.659 2.649 ( 0.061 1.074 -2.939) 3.130 2.830 ( 4.234 -3.585 -1.689) 5.799 4.848 ( -0.329 12.398 -0.425) 12.410 5.261 ( -1.111 1.852 1.617) 2.698 5.633 ( 2.585 -8.346 1.158) 8.813 ======================= Grid point 352 (169/277) ======================= q-point: (-0.25 -0.67 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.175 -0.920 4.020) 4.128 0.983 ( 2.405 -3.451 -0.865) 4.294 1.045 ( -0.170 -2.421 0.786) 2.551 1.180 ( 3.189 3.113 -3.884) 5.912 1.593 ( 0.164 -2.578 2.020) 3.279 1.794 ( 0.544 -2.739 0.830) 2.913 1.993 ( -0.719 -0.169 0.955) 1.207 2.035 ( -0.258 3.347 0.296) 3.370 2.060 ( -2.370 1.569 2.465) 3.762 2.400 ( -0.102 1.020 -1.754) 2.032 2.441 ( -0.413 1.779 0.335) 1.856 2.506 ( 0.214 -0.852 -0.183) 0.897 2.576 ( 0.043 0.722 -0.692) 1.001 2.640 ( -0.234 -0.786 -2.411) 2.546 2.884 ( 3.810 -0.774 -3.202) 5.036 4.670 ( -0.041 6.445 0.028) 6.445 5.231 ( -1.176 1.062 1.587) 2.243 5.758 ( 1.294 -3.647 0.609) 3.918 ======================= Grid point 353 (170/277) ======================= q-point: (-0.17 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -1.032 3.206 1.992) 3.913 1.016 ( 1.017 0.926 -0.483) 1.458 1.065 ( 1.754 1.875 -4.387) 5.083 1.121 ( 1.970 1.219 -3.732) 4.393 1.610 ( -0.667 1.235 1.201) 1.848 1.819 ( -0.317 0.398 0.428) 0.665 1.989 ( -0.382 0.594 0.661) 0.967 2.011 ( -0.481 -0.994 1.846) 2.151 2.048 ( -1.832 -0.922 2.012) 2.873 2.371 ( 0.483 1.036 -0.676) 1.328 2.440 ( 0.247 -0.965 -0.020) 0.996 2.526 ( -0.004 -0.889 0.649) 1.101 2.565 ( 0.485 0.119 -1.278) 1.372 2.654 ( 0.514 -0.913 -1.208) 1.599 2.885 ( 2.680 1.030 -4.898) 5.678 4.610 ( -0.051 0.028 0.092) 0.108 5.219 ( -1.013 0.134 1.797) 2.067 5.786 ( 0.230 1.083 -0.412) 1.181 ======================= Grid point 354 (171/277) ======================= q-point: (-0.08 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -1.985 5.465 0.881) 5.881 0.955 ( 0.551 5.562 -3.632) 6.665 0.983 ( 1.237 4.000 -1.449) 4.430 1.141 ( 2.279 -1.728 -5.004) 5.764 1.564 ( -0.702 2.842 -0.135) 2.931 1.776 ( -0.588 3.855 -0.311) 3.912 1.985 ( 0.013 0.044 0.456) 0.459 2.061 ( -1.154 -3.561 3.549) 5.158 2.084 ( -1.208 -3.164 1.010) 3.534 2.370 ( 0.814 -0.373 0.473) 1.013 2.470 ( 0.142 -2.080 0.890) 2.267 2.531 ( -0.778 0.431 0.967) 1.314 2.575 ( 0.998 -0.952 -1.006) 1.707 2.665 ( 1.585 0.163 -1.062) 1.915 2.852 ( 1.465 1.767 -5.918) 6.347 4.672 ( -0.011 -6.895 0.052) 6.895 5.225 ( -0.683 -0.591 1.857) 2.064 5.722 ( -0.332 5.359 -1.482) 5.570 ======================= Grid point 360 (172/277) ======================= q-point: (-0.58 -0.58 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -5.871 -0.000 6.072) 8.446 0.536 ( -1.524 -0.000 -4.680) 4.922 0.806 ( -0.725 -0.000 -6.169) 6.212 0.833 ( -7.782 -0.000 12.721) 14.913 0.986 ( 1.280 0.000 -5.047) 5.207 1.598 ( 1.325 0.000 -6.454) 6.588 1.938 ( 0.303 0.000 -1.184) 1.222 2.018 ( 1.651 0.000 -2.660) 3.131 2.018 ( -0.689 -0.000 -0.332) 0.765 2.290 ( 0.609 0.000 1.302) 1.438 2.471 ( 0.111 0.000 3.046) 3.048 2.547 ( 0.726 0.000 0.162) 0.744 2.636 ( 1.383 0.000 0.686) 1.544 2.841 ( -0.628 -0.000 9.937) 9.957 3.150 ( -7.566 -0.000 2.823) 8.075 4.690 ( 0.038 0.000 -0.174) 0.178 5.445 ( 3.411 0.000 3.397) 4.814 5.789 ( -5.342 -0.000 -1.632) 5.586 ======================= Grid point 361 (173/277) ======================= q-point: (-0.50 -0.58 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -2.962 -0.602 -3.482) 4.611 0.632 ( -5.333 -8.178 4.749) 10.857 0.776 ( -0.472 0.109 -5.507) 5.528 0.859 ( -6.635 -4.114 10.990) 13.481 1.075 ( 1.183 -9.261 -4.125) 10.207 1.577 ( 1.121 0.875 -6.148) 6.310 1.973 ( 0.558 -2.728 -0.633) 2.856 2.009 ( 1.400 -0.067 -1.526) 2.072 2.108 ( -0.339 -8.590 -2.106) 8.851 2.288 ( 0.507 0.800 1.098) 1.450 2.498 ( 1.060 -1.693 2.949) 3.561 2.543 ( 0.786 0.924 0.223) 1.233 2.628 ( 1.367 1.762 0.727) 2.345 2.820 ( -0.734 4.298 8.382) 9.448 3.063 ( -6.337 5.964 2.575) 9.075 4.820 ( 0.817 -12.647 0.461) 12.682 5.448 ( 3.203 2.400 2.673) 4.813 5.670 ( -4.455 9.173 -1.258) 10.275 ======================= Grid point 362 (174/277) ======================= q-point: (-0.42 -0.58 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( -1.780 -3.023 -1.197) 3.707 0.733 ( -5.745 -4.522 5.115) 8.923 0.793 ( -0.072 -3.519 -2.381) 4.250 0.995 ( -2.834 -9.174 6.016) 11.331 1.279 ( 1.525 -11.913 -2.789) 12.330 1.551 ( 1.182 0.352 -4.975) 5.126 1.993 ( 1.165 0.320 -1.072) 1.615 2.044 ( -0.369 -2.811 0.351) 2.857 2.235 ( 0.076 -1.061 -0.303) 1.106 2.306 ( -0.003 -4.987 -1.299) 5.154 2.518 ( 0.770 1.507 -0.084) 1.695 2.578 ( 2.287 -4.633 2.435) 5.712 2.598 ( 0.816 1.894 0.593) 2.146 2.751 ( -0.301 3.880 4.340) 5.830 2.895 ( -4.351 9.298 1.895) 10.439 5.103 ( 1.443 -14.511 1.300) 14.641 5.409 ( 2.041 7.442 -3.573) 8.504 5.428 ( -1.924 9.509 4.331) 10.624 ======================= Grid point 363 (175/277) ======================= q-point: (-0.33 -0.58 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -0.469 -5.170 2.670) 5.837 0.808 ( -2.853 -5.042 3.277) 6.656 0.879 ( -0.074 -5.643 0.271) 5.650 1.150 ( 0.366 -6.057 2.017) 6.394 1.463 ( 1.943 -5.820 -2.072) 6.476 1.582 ( 0.777 -5.718 -1.878) 6.069 1.989 ( 0.420 0.174 -0.289) 0.539 2.080 ( -1.335 -1.045 1.417) 2.210 2.201 ( -0.149 3.332 0.490) 3.371 2.380 ( -0.432 -2.466 -1.147) 2.753 2.496 ( 0.582 0.806 -0.491) 1.109 2.574 ( -0.117 1.134 0.558) 1.270 2.635 ( -1.310 2.307 2.001) 3.323 2.710 ( -1.914 7.648 -0.214) 7.887 2.765 ( 4.406 -4.542 -0.251) 6.333 5.106 ( -0.591 14.865 -1.075) 14.916 5.287 ( -1.965 -0.197 2.615) 3.277 5.480 ( 4.454 -8.647 0.364) 9.734 ======================= Grid point 364 (176/277) ======================= q-point: (-0.25 -0.58 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -0.402 -4.181 4.132) 5.893 0.908 ( 0.339 -5.398 1.135) 5.527 0.982 ( -0.332 -4.678 1.153) 4.829 1.218 ( 2.668 -0.330 -2.249) 3.505 1.539 ( 0.846 -3.508 0.694) 3.675 1.716 ( 0.884 -6.415 -0.150) 6.478 1.989 ( -0.359 -0.084 0.448) 0.580 2.075 ( -1.892 1.142 2.187) 3.109 2.123 ( -0.452 4.731 0.674) 4.801 2.398 ( -0.440 -0.426 -1.276) 1.416 2.493 ( 0.388 0.199 -0.125) 0.454 2.511 ( -1.363 4.867 0.918) 5.136 2.585 ( -0.357 0.553 0.440) 0.792 2.631 ( -0.340 1.258 -2.742) 3.036 2.865 ( 4.481 -2.982 -2.273) 5.843 4.844 ( -0.156 12.032 -0.271) 12.036 5.257 ( -1.505 1.835 1.697) 2.918 5.665 ( 2.622 -7.527 0.434) 7.983 ======================= Grid point 365 (177/277) ======================= q-point: (-0.17 -0.58 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -0.765 -0.384 3.072) 3.189 1.002 ( 2.301 -3.425 -1.192) 4.295 1.043 ( -0.875 -2.028 0.638) 2.299 1.188 ( 2.901 3.616 -4.492) 6.455 1.604 ( -0.085 -2.195 1.780) 2.827 1.803 ( 0.468 -2.448 0.521) 2.546 1.990 ( -0.870 -0.128 0.924) 1.275 2.037 ( 0.060 2.858 0.912) 3.001 2.050 ( -2.246 1.783 2.426) 3.756 2.390 ( 0.025 0.697 -1.659) 1.800 2.438 ( -0.472 1.489 0.210) 1.576 2.509 ( 0.271 -0.960 0.053) 0.999 2.572 ( -0.043 0.822 -0.513) 0.970 2.626 ( 0.034 -1.313 -2.158) 2.526 2.903 ( 3.619 0.101 -3.711) 5.184 4.670 ( -0.019 6.377 0.042) 6.377 5.228 ( -1.308 0.904 1.673) 2.308 5.773 ( 1.124 -2.866 0.067) 3.079 ======================= Grid point 366 (178/277) ======================= q-point: (-0.08 -0.58 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -0.975 3.943 1.913) 4.490 1.023 ( 0.466 1.855 -0.041) 1.913 1.059 ( 2.241 1.828 -4.817) 5.619 1.119 ( 1.926 1.344 -3.704) 4.386 1.611 ( -0.650 1.787 1.243) 2.272 1.818 ( -0.322 0.958 0.466) 1.112 1.987 ( -0.629 0.177 0.751) 0.995 2.017 ( 0.066 -0.750 0.975) 1.232 2.041 ( -2.036 -1.147 2.728) 3.592 2.375 ( 0.920 0.408 -0.389) 1.079 2.439 ( -0.165 -1.323 -0.413) 1.396 2.528 ( -0.464 -0.686 0.877) 1.206 2.563 ( 0.669 -0.187 -1.497) 1.650 2.653 ( 0.685 -1.582 -1.137) 2.065 2.885 ( 2.661 2.021 -4.900) 5.931 4.610 ( -0.051 0.049 0.092) 0.116 5.219 ( -1.000 -0.076 1.804) 2.064 5.786 ( 0.240 1.717 -0.407) 1.781 ======================= Grid point 373 (179/277) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -3.776 -0.000 -4.769) 6.083 0.506 ( -6.278 -0.000 6.454) 9.004 0.759 ( -1.789 -0.000 -5.079) 5.384 0.826 ( -7.574 -0.000 12.132) 14.302 0.969 ( 1.259 0.000 -5.106) 5.259 1.572 ( 0.805 0.000 -6.376) 6.427 1.931 ( 0.026 0.000 -1.747) 1.747 2.013 ( -0.391 -0.000 0.410) 0.567 2.022 ( 2.180 0.000 -2.808) 3.555 2.303 ( 0.467 0.000 1.074) 1.171 2.495 ( 1.002 0.000 2.963) 3.128 2.557 ( 1.060 0.000 0.134) 1.069 2.656 ( 1.560 0.000 0.555) 1.656 2.894 ( -0.384 -0.000 10.001) 10.009 3.096 ( -6.231 -0.000 3.981) 7.394 4.689 ( 0.038 0.000 -0.176) 0.180 5.499 ( 3.623 0.000 2.558) 4.434 5.730 ( -4.373 -0.000 -0.772) 4.441 ======================= Grid point 374 (180/277) ======================= q-point: (-0.42 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -3.985 -1.493 -2.574) 4.974 0.598 ( -6.394 -7.945 4.974) 11.347 0.740 ( -0.600 -0.969 -4.623) 4.762 0.854 ( -6.672 -4.629 11.071) 13.730 1.063 ( 1.201 -9.766 -4.094) 10.658 1.552 ( 0.990 0.546 -6.086) 6.190 1.974 ( 0.494 -3.163 -0.972) 3.345 2.017 ( 1.896 0.150 -1.739) 2.578 2.095 ( -0.116 -8.324 -1.498) 8.459 2.298 ( 0.291 0.953 0.825) 1.293 2.527 ( 1.441 -1.901 2.402) 3.386 2.553 ( 1.074 0.884 0.154) 1.399 2.646 ( 1.367 1.898 0.511) 2.394 2.860 ( -0.796 5.445 7.605) 9.387 3.023 ( -4.736 5.822 4.318) 8.659 4.833 ( 1.243 -13.683 0.405) 13.745 5.493 ( 3.314 3.021 0.538) 4.516 5.627 ( -3.179 8.607 1.090) 9.240 ======================= Grid point 375 (181/277) ======================= q-point: (-0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -2.487 -5.030 -0.205) 5.615 0.698 ( -6.490 -5.459 4.974) 9.832 0.780 ( 0.117 -4.395 -2.023) 4.840 1.002 ( -2.745 -9.685 6.442) 11.951 1.279 ( 1.524 -12.549 -2.602) 12.907 1.535 ( 1.316 -0.172 -5.100) 5.270 1.998 ( 1.103 0.346 -1.337) 1.768 2.044 ( -0.093 -2.419 0.475) 2.467 2.236 ( 0.437 -2.295 -0.142) 2.341 2.297 ( -0.185 -3.504 -1.237) 3.721 2.526 ( 0.911 1.812 -0.290) 2.048 2.609 ( 1.417 -3.951 1.393) 4.423 2.610 ( 0.484 2.136 0.814) 2.336 2.771 ( -0.125 4.024 2.475) 4.726 2.873 ( -2.460 8.921 4.060) 10.105 5.125 ( 1.354 -13.937 1.061) 14.043 5.383 ( -1.090 12.244 -3.080) 12.672 5.466 ( 2.595 4.129 3.721) 6.134 ======================= Grid point 376 (182/277) ======================= q-point: (-0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -1.684 -6.509 2.640) 7.223 0.793 ( -3.347 -6.517 2.854) 7.863 0.879 ( -0.059 -6.038 -0.128) 6.040 1.165 ( 0.293 -6.249 1.911) 6.542 1.472 ( 1.942 -5.866 -1.767) 6.427 1.577 ( 0.678 -6.682 -2.406) 7.134 1.991 ( 0.336 0.341 -0.394) 0.620 2.077 ( -1.075 -0.821 1.750) 2.212 2.204 ( 0.028 3.594 0.762) 3.674 2.368 ( -0.436 -2.558 -1.177) 2.850 2.500 ( 0.736 0.948 -0.620) 1.351 2.575 ( -0.306 1.712 0.657) 1.859 2.631 ( -1.597 2.653 1.947) 3.658 2.687 ( -2.023 6.705 -0.661) 7.035 2.814 ( 5.182 -3.388 -0.411) 6.205 5.097 ( -0.179 14.686 -0.605) 14.700 5.279 ( -2.266 -0.304 2.348) 3.277 5.526 ( 4.440 -7.832 -0.637) 9.025 ======================= Grid point 377 (183/277) ======================= q-point: (-0.17 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -1.894 -4.460 3.154) 5.782 0.914 ( -0.116 -6.412 0.416) 6.427 0.981 ( -0.675 -4.575 0.429) 4.645 1.229 ( 2.283 -0.031 -2.933) 3.717 1.550 ( 0.592 -3.622 0.412) 3.694 1.722 ( 0.607 -6.809 -0.666) 6.868 1.988 ( -0.447 0.063 0.443) 0.633 2.071 ( -1.727 1.282 2.818) 3.545 2.126 ( -0.012 4.812 0.890) 4.894 2.385 ( -0.494 -0.355 -1.226) 1.369 2.497 ( 0.431 0.240 0.007) 0.493 2.504 ( -1.036 4.770 1.004) 4.983 2.586 ( -0.233 0.571 0.841) 1.043 2.612 ( -0.357 1.177 -2.541) 2.823 2.895 ( 4.212 -2.194 -3.227) 5.742 4.842 ( 0.013 11.875 -0.084) 11.875 5.250 ( -1.745 1.689 1.806) 3.026 5.690 ( 2.217 -6.760 -0.771) 7.156 ======================= Grid point 378 (184/277) ======================= q-point: (-0.08 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -1.733 -0.484 2.068) 2.741 1.015 ( 1.878 -3.874 -2.000) 4.747 1.035 ( -1.264 -1.640 0.348) 2.100 1.189 ( 2.577 3.890 -5.186) 6.976 1.610 ( -0.455 -1.947 1.220) 2.343 1.809 ( 0.246 -2.357 0.138) 2.374 1.986 ( -0.849 -0.037 0.806) 1.172 2.041 ( -2.316 1.347 3.319) 4.265 2.048 ( 0.580 3.286 0.862) 3.446 2.382 ( 0.237 -0.027 -1.689) 1.706 2.434 ( -0.545 1.648 0.385) 1.778 2.512 ( 0.112 -0.909 0.481) 1.035 2.569 ( 0.047 0.951 -0.733) 1.201 2.618 ( 0.550 -1.775 -1.479) 2.375 2.915 ( 3.188 0.735 -4.403) 5.485 4.670 ( -0.007 6.372 0.057) 6.372 5.224 ( -1.338 0.697 1.780) 2.333 5.781 ( 0.754 -2.404 -0.679) 2.609 ======================= Grid point 386 (185/277) ======================= q-point: (-0.42 -0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( -5.251 -0.000 -3.331) 6.218 0.480 ( -6.296 -0.000 7.496) 9.789 0.715 ( -1.264 -0.000 -4.241) 4.425 0.813 ( -8.435 -0.000 12.387) 14.986 0.954 ( 1.453 0.000 -4.811) 5.025 1.544 ( 1.042 0.000 -6.267) 6.353 1.921 ( -0.018 -0.000 -1.725) 1.725 2.014 ( -0.211 -0.000 0.728) 0.758 2.030 ( 2.431 0.000 -3.027) 3.882 2.312 ( 0.219 0.000 0.706) 0.739 2.521 ( 0.767 0.000 2.308) 2.432 2.569 ( 1.205 0.000 -0.129) 1.212 2.673 ( 1.492 0.000 0.015) 1.492 2.938 ( -1.204 -0.000 6.550) 6.660 3.081 ( -2.478 -0.000 8.626) 8.975 4.689 ( 0.047 0.000 -0.164) 0.170 5.542 ( 3.246 0.000 -1.376) 3.526 5.702 ( -1.806 -0.000 3.790) 4.198 ======================= Grid point 387 (186/277) ======================= q-point: (-0.33 -0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( -4.567 -2.694 -1.242) 5.446 0.561 ( -6.788 -7.086 6.294) 11.657 0.714 ( 0.353 -1.916 -3.716) 4.196 0.848 ( -7.047 -5.606 11.614) 14.696 1.054 ( 1.416 -10.177 -3.802) 10.956 1.530 ( 1.545 0.266 -6.012) 6.213 1.972 ( 0.430 -3.460 -1.216) 3.693 2.027 ( 2.054 0.222 -2.047) 2.908 2.089 ( 0.355 -8.198 -0.943) 8.260 2.303 ( 0.039 1.092 0.493) 1.199 2.549 ( 0.472 -1.629 1.252) 2.108 2.565 ( 1.025 0.505 -0.095) 1.147 2.661 ( 1.244 1.996 -0.092) 2.354 2.880 ( -2.283 5.968 4.233) 7.665 3.029 ( -0.629 6.940 8.562) 11.039 4.849 ( 1.553 -14.709 -0.152) 14.792 5.508 ( 1.231 4.202 -4.497) 6.276 5.636 ( 1.044 7.916 6.737) 10.447 ======================= Grid point 388 (187/277) ======================= q-point: (-0.25 -0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -3.064 -6.607 0.687) 7.315 0.660 ( -6.395 -6.105 5.370) 10.345 0.773 ( 0.750 -4.803 -1.832) 5.195 1.012 ( -2.868 -10.121 7.003) 12.637 1.281 ( 1.531 -13.092 -2.351) 13.389 1.522 ( 1.926 -0.439 -5.219) 5.580 1.999 ( 0.693 0.145 -1.445) 1.609 2.048 ( 0.309 -1.996 0.471) 2.074 2.243 ( 0.954 -3.188 0.063) 3.329 2.288 ( -0.129 -2.306 -1.224) 2.614 2.533 ( 0.870 2.004 -0.494) 2.240 2.611 ( -1.377 -0.413 0.660) 1.582 2.626 ( 1.099 -0.245 0.268) 1.157 2.766 ( -2.088 4.716 -0.125) 5.159 2.902 ( 1.749 8.125 6.654) 10.646 5.140 ( 0.775 -13.069 0.179) 13.093 5.357 ( -0.651 11.212 -2.918) 11.604 5.519 ( 3.633 5.146 3.441) 7.178 ======================= Grid point 389 (188/277) ======================= q-point: (-0.17 -0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -2.799 -7.170 2.559) 8.112 0.774 ( -3.214 -7.649 2.381) 8.632 0.877 ( 0.098 -5.975 -0.782) 6.026 1.177 ( -0.101 -6.124 1.742) 6.367 1.482 ( 1.921 -5.775 -1.788) 6.343 1.569 ( 0.702 -7.278 -2.777) 7.822 1.992 ( 0.185 0.418 -0.435) 0.631 2.078 ( -0.769 -0.657 2.069) 2.303 2.209 ( 0.089 3.693 0.827) 3.785 2.360 ( -0.082 -2.400 -0.845) 2.545 2.504 ( 0.683 0.988 -0.608) 1.346 2.574 ( -0.647 1.939 0.543) 2.115 2.626 ( -1.425 2.100 1.819) 3.123 2.661 ( -1.887 5.833 -1.028) 6.217 2.864 ( 4.967 -1.319 -0.859) 5.210 5.094 ( 0.135 14.509 -0.225) 14.511 5.268 ( -2.333 -0.436 2.117) 3.180 5.562 ( 3.772 -6.665 -2.040) 7.926 ======================= Grid point 390 (189/277) ======================= q-point: (-0.08 -0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -3.148 -4.612 2.362) 6.063 0.910 ( -0.441 -7.183 -0.560) 7.219 0.973 ( -0.820 -4.397 -0.583) 4.511 1.230 ( 1.729 0.349 -3.675) 4.076 1.555 ( 0.316 -3.474 -0.291) 3.501 1.721 ( 0.240 -7.127 -1.051) 7.208 1.985 ( -0.445 0.179 0.447) 0.655 2.072 ( -1.523 1.483 3.397) 4.007 2.133 ( 0.277 4.686 1.009) 4.801 2.375 ( -0.385 -0.188 -0.819) 0.925 2.500 ( -0.996 4.988 1.511) 5.306 2.502 ( 0.538 -0.166 -0.158) 0.585 2.590 ( -0.292 0.985 1.244) 1.613 2.596 ( 0.276 0.420 -2.383) 2.436 2.913 ( 3.499 -1.359 -4.326) 5.728 4.843 ( 0.144 11.911 0.104) 11.912 5.242 ( -1.766 1.458 1.923) 2.990 5.701 ( 1.432 -6.217 -2.176) 6.740 ======================= Grid point 399 (190/277) ======================= q-point: (-0.33 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( -5.669 -0.000 -0.304) 5.678 0.464 ( -5.857 -0.000 8.946) 10.693 0.688 ( 0.338 0.000 -3.112) 3.130 0.794 ( -9.167 -0.000 13.012) 15.917 0.945 ( 1.821 0.000 -4.229) 4.604 1.524 ( 1.962 0.000 -6.158) 6.463 1.913 ( 0.221 0.000 -1.241) 1.260 2.016 ( -0.234 -0.000 0.665) 0.705 2.037 ( 2.327 0.000 -3.244) 3.992 2.315 ( -0.067 -0.000 0.287) 0.295 2.532 ( -0.728 -0.000 1.282) 1.474 2.580 ( 1.098 0.000 -0.576) 1.240 2.686 ( 1.334 0.000 -0.700) 1.506 2.938 ( -3.666 -0.000 3.252) 4.901 3.151 ( 3.756 0.000 11.553) 12.148 4.689 ( 0.061 0.000 -0.141) 0.154 5.540 ( 0.425 0.000 -5.492) 5.508 5.750 ( 3.970 0.000 8.448) 9.334 ======================= Grid point 400 (191/277) ======================= q-point: (-0.25 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( -4.759 -3.653 0.814) 6.054 0.534 ( -6.294 -5.806 8.125) 11.804 0.707 ( 1.962 -2.351 -2.924) 4.234 0.843 ( -7.054 -6.892 12.449) 15.882 1.050 ( 1.765 -10.405 -3.321) 11.064 1.517 ( 2.605 0.094 -5.932) 6.479 1.969 ( 0.377 -3.367 -1.313) 3.634 2.035 ( 1.892 0.058 -2.215) 2.914 2.092 ( 1.038 -8.448 -0.733) 8.543 2.304 ( -0.181 1.134 0.158) 1.159 2.550 ( -1.280 -2.014 0.567) 2.453 2.572 ( 0.777 1.000 -0.824) 1.511 2.671 ( 1.087 1.984 -0.758) 2.386 2.864 ( -4.178 5.920 2.489) 7.662 3.101 ( 3.607 9.030 9.720) 13.749 4.862 ( 1.657 -15.330 -1.214) 15.467 5.479 ( -0.879 4.552 -5.232) 6.991 5.713 ( 5.080 8.683 7.512) 12.555 ======================= Grid point 401 (192/277) ======================= q-point: (-0.17 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -3.324 -7.606 1.495) 8.434 0.631 ( -5.416 -6.208 6.351) 10.402 0.775 ( 1.665 -4.578 -1.903) 5.230 1.023 ( -3.067 -10.255 7.470) 13.053 1.284 ( 1.493 -13.372 -2.117) 13.620 1.516 ( 2.837 -0.409 -5.311) 6.035 1.996 ( 0.271 -0.174 -1.319) 1.358 2.055 ( 0.595 -1.720 0.348) 1.853 2.256 ( 1.351 -3.010 0.252) 3.309 2.281 ( 0.283 -2.192 -1.390) 2.611 2.537 ( 0.611 2.098 -0.659) 2.283 2.591 ( -2.563 -1.258 -0.070) 2.856 2.636 ( 0.688 0.986 -0.048) 1.203 2.736 ( -3.133 5.074 -0.383) 5.975 2.970 ( 3.597 8.463 6.219) 11.101 5.143 ( 0.309 -12.174 -0.930) 12.213 5.335 ( -0.632 9.595 -2.780) 10.009 5.577 ( 3.793 7.398 2.697) 8.740 ======================= Grid point 402 (193/277) ======================= q-point: (-0.08 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -3.518 -7.248 2.354) 8.393 0.756 ( -2.590 -8.036 2.220) 8.729 0.872 ( 0.376 -5.437 -1.602) 5.680 1.183 ( -0.666 -5.662 1.508) 5.897 1.491 ( 1.851 -5.607 -2.142) 6.281 1.561 ( 0.858 -7.305 -2.930) 7.917 1.991 ( 0.049 0.378 -0.338) 0.510 2.084 ( -0.520 -0.576 2.273) 2.402 2.215 ( 0.077 3.600 0.648) 3.659 2.358 ( 0.358 -1.954 -0.272) 2.005 2.507 ( 0.419 0.865 -0.483) 1.076 2.567 ( -1.051 1.544 0.216) 1.881 2.621 ( -1.531 1.747 1.248) 2.637 2.640 ( -0.906 4.527 -0.737) 4.676 2.904 ( 3.965 1.106 -1.490) 4.378 5.097 ( 0.358 14.225 0.067) 14.229 5.256 ( -2.104 -0.589 1.986) 2.953 5.578 ( 2.361 -5.386 -3.593) 6.892 ======================= Grid point 412 (194/277) ======================= q-point: (-0.25 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( -4.699 -0.000 3.992) 6.165 0.462 ( -5.061 -0.000 10.311) 11.486 0.688 ( 2.393 0.000 -1.734) 2.955 0.777 ( -8.935 -0.000 13.829) 16.464 0.944 ( 2.269 0.000 -3.512) 4.181 1.516 ( 3.274 0.000 -6.059) 6.887 1.912 ( 0.588 0.000 -0.629) 0.861 2.016 ( -0.333 -0.000 0.495) 0.596 2.041 ( 2.089 0.000 -3.292) 3.899 2.313 ( -0.350 -0.000 -0.127) 0.373 2.523 ( -2.015 -0.000 0.826) 2.178 2.585 ( 0.774 0.000 -1.049) 1.304 2.692 ( 0.902 0.000 -1.312) 1.592 2.909 ( -5.020 -0.000 2.703) 5.702 3.270 ( 7.214 0.000 8.457) 11.115 4.689 ( 0.078 0.000 -0.114) 0.139 5.499 ( -1.827 -0.000 -5.640) 5.928 5.863 ( 8.137 0.000 7.258) 10.903 ======================= Grid point 413 (195/277) ======================= q-point: (-0.17 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.311 ( -3.867 -3.551 3.996) 6.598 0.526 ( -5.105 -4.724 9.737) 11.966 0.721 ( 3.661 -2.102 -2.381) 4.847 0.846 ( -6.651 -7.973 13.115) 16.727 1.052 ( 2.109 -10.392 -2.796) 10.966 1.516 ( 3.837 0.064 -5.868) 7.012 1.965 ( 0.272 -2.902 -1.257) 3.174 2.040 ( 1.525 -0.322 -2.116) 2.628 2.102 ( 1.879 -9.003 -0.961) 9.247 2.301 ( -0.355 1.023 -0.178) 1.098 2.532 ( -2.386 -1.967 0.479) 3.129 2.573 ( 0.530 1.292 -1.204) 1.844 2.674 ( 0.580 1.825 -1.274) 2.300 2.828 ( -5.215 5.823 2.085) 8.090 3.199 ( 4.895 10.817 7.618) 14.107 4.869 ( 1.549 -15.414 -2.393) 15.675 5.433 ( -2.372 3.928 -4.606) 6.502 5.812 ( 6.131 10.807 5.388) 13.543 ======================= Grid point 414 (196/277) ======================= q-point: (-0.08 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( -2.923 -7.628 2.599) 8.572 0.623 ( -3.868 -5.754 7.484) 10.202 0.785 ( 2.532 -3.720 -2.164) 4.993 1.033 ( -3.267 -10.012 7.598) 12.986 1.287 ( 1.373 -13.289 -1.972) 13.505 1.520 ( 3.759 -0.134 -5.422) 6.599 1.991 ( 0.038 -0.463 -1.008) 1.110 2.063 ( 0.623 -1.713 0.196) 1.833 2.269 ( 0.201 1.488 0.385) 1.550 2.282 ( 2.062 -6.500 -1.874) 7.072 2.537 ( 0.126 2.144 -0.799) 2.291 2.561 ( -2.858 -1.687 -0.216) 3.326 2.639 ( 0.081 1.196 -0.214) 1.218 2.701 ( -3.114 4.672 -0.216) 5.619 3.038 ( 3.114 9.754 4.867) 11.337 5.138 ( 0.280 -11.671 -1.854) 11.821 5.311 ( -0.998 7.494 -2.575) 7.986 5.622 ( 2.339 10.340 1.567) 10.717 ======================= Grid point 425 (197/277) ======================= q-point: (-0.17 -0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.293 ( -2.198 -0.000 7.730) 8.036 0.477 ( -4.185 -0.000 11.106) 11.869 0.716 ( 3.898 0.000 -0.241) 3.906 0.771 ( -7.647 -0.000 14.164) 16.096 0.952 ( 2.671 0.000 -2.860) 3.914 1.522 ( 4.575 0.000 -5.982) 7.531 1.917 ( 0.905 0.000 -0.176) 0.922 2.015 ( -0.363 -0.000 0.444) 0.573 2.043 ( 1.957 0.000 -3.159) 3.716 2.307 ( -0.599 -0.000 -0.493) 0.776 2.505 ( -2.314 -0.000 1.315) 2.661 2.583 ( 0.344 0.000 -1.422) 1.463 2.689 ( 0.214 0.000 -1.756) 1.769 2.866 ( -6.036 -0.000 2.248) 6.441 3.380 ( 6.589 0.000 3.704) 7.558 4.689 ( 0.093 0.000 -0.091) 0.130 5.440 ( -3.729 -0.000 -4.679) 5.983 5.980 ( 7.672 0.000 2.958) 8.223 ======================= Grid point 426 (198/277) ======================= q-point: (-0.08 -0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( -1.660 -2.227 7.080) 7.606 0.540 ( -3.621 -4.176 10.624) 11.976 0.753 ( 4.823 -1.323 -2.178) 5.455 0.855 ( -6.183 -8.448 13.264) 16.898 1.061 ( 2.320 -10.124 -2.402) 10.660 1.528 ( 4.883 0.182 -5.857) 7.627 1.961 ( 0.192 -2.365 -1.007) 2.578 2.042 ( 0.978 -0.801 -1.890) 2.274 2.119 ( 2.522 -9.425 -1.488) 9.870 2.295 ( -0.494 0.784 -0.508) 1.057 2.511 ( -2.546 -1.426 1.198) 3.155 2.569 ( 0.125 1.276 -1.407) 1.903 2.668 ( -0.098 1.591 -1.609) 2.265 2.782 ( -5.530 5.329 1.925) 7.917 3.279 ( 3.243 11.657 5.044) 13.109 4.867 ( 1.192 -15.126 -3.177) 15.502 5.378 ( -3.550 2.885 -3.477) 5.746 5.888 ( 3.643 12.586 2.622) 13.362 ======================= Grid point 438 (199/277) ======================= q-point: (-0.08 -0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 0.673 0.000 8.753) 8.778 0.501 ( -3.524 -0.000 11.139) 11.683 0.761 ( 2.951 0.000 2.990) 4.201 0.780 ( -4.766 -0.000 11.585) 12.528 0.966 ( 2.911 0.000 -2.457) 3.810 1.540 ( 5.512 0.000 -5.945) 8.107 1.927 ( 0.974 0.000 -0.120) 0.981 2.015 ( -0.175 -0.000 0.677) 0.699 2.045 ( 1.809 0.000 -3.021) 3.521 2.296 ( -0.777 -0.000 -0.754) 1.082 2.492 ( -2.225 -0.000 2.220) 3.143 2.576 ( -0.029 -0.000 -1.629) 1.629 2.677 ( -0.428 -0.000 -2.028) 2.072 2.813 ( -6.322 -0.000 2.167) 6.683 3.441 ( 2.379 0.000 1.115) 2.628 4.689 ( 0.101 0.000 -0.076) 0.126 5.373 ( -4.608 -0.000 -2.925) 5.458 6.043 ( 2.792 0.000 -0.050) 2.792 ======================= Grid point 439 (200/277) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -0.275 -0.000 4.337) 4.345 0.709 ( -2.535 -0.000 5.989) 6.503 0.742 ( 3.636 0.000 -3.363) 4.953 0.918 ( 2.523 0.000 -3.176) 4.056 1.087 ( -5.109 -0.000 10.288) 11.486 1.422 ( 5.232 0.000 -6.736) 8.529 1.927 ( 0.162 0.000 -0.223) 0.276 2.000 ( 0.600 0.000 -1.184) 1.327 2.038 ( 0.316 0.000 0.503) 0.594 2.270 ( -0.430 -0.000 -0.328) 0.541 2.531 ( -0.928 -0.000 1.260) 1.565 2.542 ( 0.037 0.000 -0.565) 0.566 2.630 ( -0.678 -0.000 -0.572) 0.888 2.808 ( -2.000 -0.000 1.056) 2.262 3.468 ( -0.712 -0.000 0.576) 0.915 4.689 ( 0.045 0.000 -0.033) 0.056 5.304 ( -0.828 -0.000 -0.412) 0.925 6.045 ( -0.514 -0.000 0.007) 0.514 ======================= Grid point 440 (201/277) ======================= q-point: ( 0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -0.345 0.063 3.503) 3.521 0.735 ( 2.448 0.132 -3.269) 4.086 0.795 ( -2.105 -6.116 5.643) 8.584 0.988 ( 1.724 -5.301 -3.137) 6.396 1.124 ( -4.148 -4.815 7.122) 9.545 1.426 ( 4.986 0.174 -6.718) 8.368 1.963 ( -0.100 -3.238 0.664) 3.307 2.001 ( 0.256 -0.775 -1.330) 1.561 2.121 ( 0.541 -7.716 -0.620) 7.760 2.263 ( -0.183 0.594 -0.132) 0.636 2.523 ( -0.962 0.654 0.926) 1.488 2.534 ( -0.046 0.689 -0.189) 0.716 2.619 ( -0.980 0.299 0.161) 1.037 2.760 ( -0.356 4.324 1.425) 4.567 3.362 ( -2.058 9.784 0.985) 10.047 4.813 ( -0.093 -11.966 -0.471) 11.975 5.288 ( 0.416 1.442 -0.002) 1.501 5.923 ( -1.801 11.927 0.432) 12.070 ======================= Grid point 441 (202/277) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -0.448 0.129 2.184) 2.233 0.738 ( 1.842 -0.888 -3.284) 3.868 0.900 ( -2.800 -3.050 8.928) 9.841 1.053 ( 1.424 -2.365 -5.214) 5.900 1.281 ( -2.137 -10.785 2.032) 11.181 1.440 ( 3.945 -1.384 -4.772) 6.345 1.993 ( -0.491 -0.292 0.645) 0.862 2.060 ( 0.053 -4.748 -0.624) 4.789 2.244 ( -0.150 1.132 -0.126) 1.149 2.283 ( 0.694 -8.292 -0.861) 8.366 2.504 ( -0.228 0.892 0.542) 1.068 2.520 ( -0.358 0.631 0.091) 0.732 2.619 ( -1.806 -0.569 1.354) 2.328 2.682 ( 1.772 3.638 0.304) 4.058 3.125 ( -2.434 13.952 0.813) 14.187 5.072 ( -0.128 -14.899 -0.240) 14.901 5.253 ( 1.439 3.145 -0.229) 3.467 5.626 ( -2.365 17.530 0.794) 17.706 ======================= Grid point 442 (203/277) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -0.149 -0.349 2.320) 2.351 0.780 ( 1.627 -3.339 -1.170) 3.895 0.931 ( -2.526 0.194 8.202) 8.584 1.066 ( 3.481 0.268 -7.783) 8.530 1.437 ( -0.974 -5.014 0.313) 5.117 1.524 ( 1.771 -7.630 -1.011) 7.898 1.994 ( -0.467 -0.015 0.377) 0.601 2.134 ( -0.583 -2.903 0.400) 2.988 2.217 ( -0.202 1.714 -0.091) 1.729 2.392 ( -0.251 -2.732 0.026) 2.743 2.510 ( -0.373 -0.054 0.363) 0.524 2.519 ( 0.770 -2.447 0.027) 2.565 2.596 ( 1.031 2.368 -0.207) 2.591 2.688 ( 0.381 -2.530 0.189) 2.566 2.849 ( -2.076 13.847 0.062) 14.002 5.131 ( 0.732 12.478 -1.040) 12.543 5.338 ( 0.132 -9.371 3.452) 9.987 5.350 ( -1.039 4.332 -1.578) 4.726 ======================= Grid point 443 (204/277) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 1.021 -3.232 4.025) 5.262 0.859 ( 1.209 -3.681 1.457) 4.139 0.942 ( -0.436 -1.033 3.949) 4.105 1.053 ( 4.197 0.587 -5.990) 7.337 1.506 ( 0.063 -3.415 0.766) 3.500 1.674 ( 0.414 -6.949 0.479) 6.978 1.992 ( -0.116 0.076 0.272) 0.306 2.154 ( -1.345 1.193 0.812) 1.973 2.172 ( -0.650 2.477 0.253) 2.573 2.404 ( -0.588 0.424 0.704) 1.011 2.507 ( 0.268 0.528 -1.023) 1.182 2.554 ( 0.758 1.707 -0.789) 2.028 2.593 ( 0.713 -2.034 0.702) 2.267 2.627 ( -0.706 6.729 -1.785) 6.997 2.737 ( 0.603 -1.994 -0.150) 2.089 4.863 ( -0.136 13.355 -0.402) 13.362 5.276 ( -0.102 1.831 0.867) 2.029 5.562 ( 0.704 -9.927 0.920) 9.994 ======================= Grid point 444 (205/277) ======================= q-point: ( 0.42 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 1.108 -4.001 3.189) 5.235 0.923 ( 0.325 -2.531 1.575) 2.999 0.987 ( 2.420 -1.994 -0.543) 3.183 1.063 ( 2.277 -1.005 -1.881) 3.120 1.577 ( 0.317 -3.584 1.259) 3.812 1.780 ( 0.064 -4.080 0.783) 4.155 1.992 ( 0.274 0.029 0.143) 0.311 2.074 ( -1.097 4.438 0.071) 4.572 2.142 ( -1.428 1.618 1.896) 2.873 2.388 ( 0.014 1.220 -0.178) 1.233 2.462 ( 0.531 2.996 -1.610) 3.443 2.526 ( -0.951 0.892 -0.712) 1.485 2.549 ( 0.595 0.807 -0.751) 1.253 2.652 ( 0.203 -1.486 -0.939) 1.770 2.770 ( 1.418 -1.485 -0.556) 2.127 4.673 ( -0.042 6.730 -0.011) 6.731 5.256 ( -0.188 0.742 0.652) 1.005 5.715 ( 0.605 -5.693 0.831) 5.785 ======================= Grid point 445 (206/277) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -0.336 -1.599 0.417) 1.686 0.969 ( 0.767 -2.062 -2.199) 3.111 1.016 ( 1.147 0.046 -1.093) 1.586 1.083 ( 0.082 -0.309 -0.213) 0.385 1.628 ( -0.233 -0.944 0.382) 1.045 1.827 ( -0.076 -0.639 0.275) 0.700 1.994 ( -0.095 0.084 0.361) 0.383 2.025 ( -0.120 -0.103 0.114) 0.195 2.116 ( -1.254 0.590 2.545) 2.898 2.361 ( 0.268 1.007 -0.990) 1.437 2.432 ( -0.172 0.192 0.295) 0.392 2.511 ( 0.787 0.027 -2.078) 2.222 2.543 ( -0.041 0.367 0.348) 0.508 2.653 ( 0.012 0.885 0.315) 0.940 2.803 ( 1.350 -1.379 -2.350) 3.041 4.611 ( -0.022 -0.027 0.040) 0.053 5.248 ( -0.419 0.109 0.771) 0.884 5.780 ( 0.096 -0.826 -0.165) 0.847 ======================= Grid point 446 (207/277) ======================= q-point: (-0.42 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -2.229 1.316 -1.652) 3.071 0.979 ( -1.457 2.446 -0.537) 2.898 0.990 ( -0.495 0.759 -3.328) 3.449 1.075 ( 0.280 0.100 -3.066) 3.081 1.603 ( -0.938 2.796 -1.000) 3.114 1.798 ( -0.218 3.585 -0.815) 3.683 1.993 ( -0.531 -0.106 0.218) 0.584 2.070 ( 0.642 -3.961 0.483) 4.041 2.129 ( -0.736 -1.266 3.068) 3.399 2.364 ( -0.139 -1.109 1.013) 1.508 2.449 ( 0.153 -2.084 0.303) 2.111 2.521 ( 1.425 -0.532 -0.944) 1.790 2.538 ( -0.210 -0.333 0.387) 0.553 2.631 ( 0.248 1.569 0.994) 1.874 2.814 ( 0.928 -0.114 -4.175) 4.278 4.672 ( 0.023 -6.523 0.052) 6.523 5.252 ( -0.649 -0.633 0.943) 1.308 5.744 ( -0.446 4.186 -1.781) 4.570 ======================= Grid point 447 (208/277) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -3.240 3.733 -2.442) 5.513 0.888 ( -2.325 4.883 -0.732) 5.457 0.942 ( -2.989 2.910 1.903) 4.585 1.086 ( 2.285 -1.983 -7.560) 8.143 1.531 ( -0.678 3.697 -1.279) 3.971 1.690 ( -0.456 7.470 -0.999) 7.551 1.993 ( -0.268 -0.096 0.247) 0.377 2.146 ( -0.083 -0.889 1.967) 2.160 2.159 ( 0.400 -3.092 0.923) 3.251 2.389 ( -0.100 -0.669 1.872) 1.990 2.498 ( 0.537 -1.337 -0.608) 1.564 2.536 ( -0.302 -2.153 1.227) 2.497 2.565 ( -0.356 -0.622 0.826) 1.094 2.621 ( 0.631 -2.133 0.532) 2.287 2.799 ( 1.143 0.176 -5.211) 5.338 4.853 ( 0.320 -12.592 0.431) 12.604 5.272 ( -0.974 -1.676 1.189) 2.274 5.614 ( -0.541 8.381 -3.674) 9.167 ======================= Grid point 448 (209/277) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -2.367 4.045 0.080) 4.688 0.789 ( -0.562 4.185 -1.443) 4.462 0.888 ( -3.994 2.186 7.351) 8.647 1.109 ( 2.787 -0.730 -7.462) 7.999 1.461 ( 0.246 3.198 -1.280) 3.453 1.514 ( -0.344 10.843 -0.422) 10.857 1.994 ( 0.030 0.089 0.332) 0.345 2.128 ( 0.134 2.670 0.960) 2.840 2.218 ( 0.182 -2.412 -0.180) 2.425 2.379 ( 0.504 2.913 1.065) 3.142 2.507 ( 0.106 -0.181 0.239) 0.318 2.536 ( -0.913 1.128 -1.235) 1.906 2.598 ( -0.969 -3.966 -0.437) 4.106 2.670 ( -0.491 1.055 1.710) 2.068 2.878 ( 1.952 -10.785 -2.284) 11.196 5.112 ( 0.383 -12.664 0.685) 12.689 5.294 ( -1.268 2.791 2.358) 3.868 5.453 ( 0.159 2.097 -5.738) 6.111 ======================= Grid point 449 (210/277) ======================= q-point: (-0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -0.671 1.853 4.591) 4.996 0.731 ( 1.735 1.839 -2.013) 3.232 0.851 ( -3.396 2.970 9.889) 10.869 1.079 ( 1.688 3.456 -4.411) 5.852 1.294 ( -1.315 11.738 2.115) 11.999 1.418 ( 2.801 1.409 -3.822) 4.944 1.990 ( -0.065 0.606 0.696) 0.925 2.062 ( 0.503 4.243 -0.634) 4.319 2.248 ( 0.238 0.139 -0.657) 0.712 2.280 ( 0.381 6.677 -0.356) 6.697 2.513 ( -0.583 -0.827 -0.474) 1.118 2.528 ( -0.228 -0.581 -0.683) 0.925 2.637 ( 0.019 1.268 -0.025) 1.268 2.680 ( -2.475 -5.617 0.354) 6.148 3.127 ( 1.527 -13.567 0.745) 13.673 5.086 ( -0.236 14.628 -1.461) 14.703 5.256 ( -1.105 -4.102 -0.693) 4.305 5.640 ( 0.964 -16.497 -0.526) 16.534 ======================= Grid point 450 (211/277) ======================= q-point: (-0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -0.055 -0.123 5.720) 5.721 0.721 ( 2.866 0.291 -1.795) 3.395 0.780 ( -1.913 5.425 6.671) 8.809 0.986 ( 1.999 6.017 -2.812) 6.936 1.123 ( -3.931 5.258 7.622) 10.059 1.413 ( 4.543 -0.019 -5.822) 7.385 1.961 ( -0.132 2.933 0.718) 3.022 2.005 ( 0.632 1.071 -1.486) 1.937 2.116 ( 0.898 7.779 -0.154) 7.833 2.269 ( -0.551 -0.576 -0.664) 1.037 2.526 ( -0.446 -0.613 0.627) 0.984 2.538 ( -0.215 -0.600 -0.564) 0.852 2.629 ( -0.510 -0.387 -0.648) 0.911 2.770 ( -2.653 -4.764 0.506) 5.476 3.363 ( 0.827 -9.955 0.888) 10.029 4.818 ( 0.011 12.303 -0.907) 12.336 5.297 ( -1.517 -1.678 -0.876) 2.426 5.927 ( 0.757 -11.956 0.039) 11.980 ======================= Grid point 452 (212/277) ======================= q-point: ( 0.08 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( -0.659 -0.000 1.867) 1.980 0.712 ( -2.985 -0.000 5.160) 5.961 0.752 ( 2.910 0.000 -4.818) 5.628 0.921 ( 2.048 0.000 -3.914) 4.417 1.091 ( -5.168 -0.000 9.355) 10.687 1.436 ( 5.458 0.000 -7.819) 9.536 1.927 ( 0.174 0.000 -0.245) 0.300 1.997 ( 0.242 0.000 -1.114) 1.140 2.040 ( -0.096 -0.000 -0.120) 0.154 2.268 ( 0.085 0.000 0.299) 0.311 2.525 ( -1.440 -0.000 1.343) 1.969 2.541 ( 0.019 0.000 -0.058) 0.061 2.621 ( -0.709 -0.000 0.292) 0.767 2.810 ( 0.298 0.000 2.488) 2.506 3.448 ( -3.935 -0.000 1.014) 4.064 4.689 ( 0.028 0.000 -0.059) 0.065 5.308 ( 1.413 0.000 0.629) 1.546 6.027 ( -3.255 -0.000 0.459) 3.287 ======================= Grid point 453 (213/277) ======================= q-point: ( 0.17 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -0.590 -0.127 0.648) 0.886 0.734 ( 1.804 0.319 -4.306) 4.680 0.800 ( -2.551 -6.944 4.523) 8.671 0.985 ( 1.493 -4.954 -3.489) 6.240 1.119 ( -4.377 -4.395 6.667) 9.106 1.438 ( 5.092 0.154 -7.497) 9.064 1.966 ( -0.075 -3.515 0.509) 3.553 1.995 ( -0.038 -0.467 -1.119) 1.213 2.119 ( 0.083 -7.725 -1.138) 7.809 2.264 ( 0.280 0.652 0.538) 0.891 2.518 ( -1.163 0.437 1.190) 1.720 2.534 ( -0.010 0.735 0.227) 0.769 2.612 ( -0.936 0.493 0.839) 1.350 2.778 ( 1.428 4.252 2.529) 5.149 3.334 ( -4.532 9.285 1.117) 10.393 4.811 ( -0.107 -11.818 -0.010) 11.819 5.305 ( 2.265 1.583 0.711) 2.853 5.896 ( -4.000 11.562 0.699) 12.254 ======================= Grid point 454 (214/277) ======================= q-point: ( 0.25 0.08 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -0.393 -0.218 0.143) 0.471 0.737 ( 1.719 -1.424 -3.102) 3.821 0.918 ( -3.058 -3.837 7.552) 9.006 1.039 ( 1.452 -1.969 -4.695) 5.294 1.270 ( -2.016 -10.629 1.922) 10.988 1.453 ( 3.836 -1.643 -4.997) 6.510 1.990 ( -0.615 -0.183 0.392) 0.751 2.057 ( -0.122 -4.770 -0.419) 4.790 2.242 ( -0.235 0.283 -0.088) 0.378 2.286 ( 0.752 -7.365 -0.815) 7.448 2.508 ( 0.164 0.332 0.848) 0.925 2.518 ( -0.197 0.913 0.562) 1.090 2.610 ( -1.496 -0.716 1.472) 2.217 2.707 ( 2.295 4.086 0.897) 4.772 3.097 ( -3.952 13.384 0.907) 13.985 5.072 ( 0.063 -15.026 0.547) 15.036 5.273 ( 2.553 3.595 -0.237) 4.416 5.601 ( -3.644 16.767 1.332) 17.210 ======================= Grid point 455 (215/277) ======================= q-point: ( 0.33 0.08 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 0.714 -1.603 2.647) 3.176 0.794 ( 2.032 -3.991 -0.468) 4.503 0.950 ( -2.776 0.163 8.002) 8.471 1.061 ( 4.012 -0.543 -7.406) 8.441 1.431 ( -0.693 -5.765 0.854) 5.869 1.537 ( 1.716 -7.199 -1.049) 7.475 1.991 ( -0.454 -0.164 0.343) 0.593 2.129 ( -0.819 -2.838 0.280) 2.967 2.214 ( -0.314 2.033 -0.020) 2.057 2.388 ( -0.251 -2.656 -0.570) 2.728 2.505 ( -0.619 0.188 0.049) 0.648 2.534 ( 1.526 -2.392 0.661) 2.913 2.607 ( 1.154 1.848 0.079) 2.180 2.692 ( 0.638 -1.902 -0.431) 2.052 2.826 ( -2.935 13.281 0.968) 13.636 5.129 ( 0.231 13.306 -1.610) 13.405 5.337 ( 0.539 -0.673 -1.424) 1.665 5.363 ( -0.555 -5.609 4.934) 7.491 ======================= Grid point 456 (216/277) ======================= q-point: ( 0.42 0.08 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 2.018 -3.464 5.071) 6.464 0.884 ( 1.380 -3.541 2.536) 4.568 0.962 ( -0.030 -1.154 3.718) 3.893 1.065 ( 4.482 0.109 -5.279) 6.926 1.514 ( 0.279 -3.800 1.414) 4.064 1.683 ( 0.570 -6.802 0.705) 6.862 1.993 ( 0.012 -0.112 0.344) 0.362 2.143 ( -1.466 1.855 0.543) 2.426 2.164 ( -0.938 2.014 0.129) 2.226 2.401 ( -0.313 0.240 -0.139) 0.419 2.502 ( -0.273 0.087 -0.786) 0.837 2.557 ( 0.665 2.890 -0.893) 3.097 2.602 ( -0.247 1.568 1.074) 1.917 2.609 ( 0.262 3.011 -2.932) 4.211 2.747 ( 0.835 -2.159 0.927) 2.493 4.858 ( -0.297 12.998 -0.530) 13.012 5.281 ( 0.036 1.964 0.793) 2.118 5.580 ( 1.136 -9.682 1.836) 9.920 ======================= Grid point 457 (217/277) ======================= q-point: ( 0.50 0.08 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 1.620 -2.343 3.573) 4.569 0.939 ( 0.491 -1.505 2.204) 2.714 1.010 ( 2.507 -1.661 -0.556) 3.058 1.077 ( 2.234 -0.419 -1.480) 2.712 1.590 ( 0.484 -3.296 1.664) 3.724 1.786 ( 0.159 -3.805 0.948) 3.925 1.997 ( 0.366 -0.027 0.249) 0.443 2.063 ( -1.121 4.057 0.119) 4.211 2.136 ( -1.575 1.387 1.519) 2.591 2.385 ( 0.193 1.263 -1.140) 1.712 2.457 ( 0.089 3.078 -0.912) 3.211 2.511 ( -0.874 0.302 -0.751) 1.191 2.551 ( 0.720 0.829 -0.992) 1.480 2.646 ( -0.130 -1.452 -1.171) 1.870 2.785 ( 1.651 -1.106 -0.159) 1.994 4.672 ( -0.055 6.595 -0.012) 6.596 5.257 ( -0.194 0.867 0.613) 1.080 5.728 ( 0.793 -5.069 1.145) 5.257 ======================= Grid point 458 (218/277) ======================= q-point: (-0.42 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -0.163 0.458 0.536) 0.724 0.966 ( 0.987 -0.962 -1.720) 2.204 1.018 ( 0.777 1.540 -1.644) 2.384 1.083 ( 0.123 0.550 -0.211) 0.602 1.628 ( -0.247 0.111 0.399) 0.482 1.828 ( -0.145 -0.234 0.195) 0.338 1.994 ( -0.204 0.540 0.270) 0.638 2.025 ( 0.053 -0.797 0.207) 0.825 2.117 ( -1.314 -0.015 2.369) 2.709 2.359 ( 0.214 0.681 -0.715) 1.011 2.433 ( 0.034 -0.103 0.323) 0.341 2.507 ( 0.648 -0.444 -1.647) 1.825 2.546 ( 0.281 0.236 0.096) 0.379 2.653 ( -0.194 0.222 0.132) 0.323 2.803 ( 1.318 -0.362 -2.399) 2.761 4.611 ( -0.022 -0.002 0.040) 0.045 5.248 ( -0.421 0.160 0.763) 0.886 5.780 ( 0.082 0.012 -0.170) 0.189 ======================= Grid point 459 (219/277) ======================= q-point: (-0.33 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -2.228 2.803 -1.732) 3.978 0.957 ( -1.610 3.960 -1.447) 4.513 0.969 ( -0.175 0.687 -2.307) 2.413 1.061 ( 0.634 0.724 -3.272) 3.411 1.588 ( -0.873 3.174 -0.943) 3.424 1.790 ( -0.355 3.894 -0.810) 3.993 1.990 ( -0.313 -0.095 0.166) 0.367 2.079 ( 0.515 -4.305 0.613) 4.379 2.137 ( -0.931 -1.482 2.827) 3.325 2.369 ( -0.274 -1.384 1.630) 2.156 2.454 ( 0.683 -1.981 -0.272) 2.113 2.528 ( 1.009 -1.647 -0.736) 2.067 2.541 ( 0.143 0.314 0.657) 0.742 2.639 ( 0.261 1.479 0.756) 1.682 2.797 ( 0.665 0.406 -4.305) 4.375 4.672 ( 0.017 -6.655 0.049) 6.655 5.251 ( -0.557 -0.547 0.934) 1.217 5.729 ( -0.511 4.923 -1.728) 5.242 ======================= Grid point 460 (220/277) ======================= q-point: (-0.25 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -3.095 3.522 -2.239) 5.196 0.862 ( -1.554 4.484 -1.102) 4.872 0.927 ( -2.551 2.394 2.761) 4.456 1.067 ( 2.541 -1.941 -7.585) 8.232 1.518 ( -0.534 3.329 -1.069) 3.537 1.680 ( -0.465 7.410 -0.888) 7.477 1.993 ( -0.162 -0.238 0.265) 0.392 2.156 ( -0.342 -0.398 2.031) 2.098 2.168 ( 0.292 -3.288 0.706) 3.376 2.398 ( -0.450 -0.807 2.100) 2.294 2.501 ( 0.817 -1.613 -0.952) 2.044 2.541 ( 0.058 -0.839 0.850) 1.196 2.568 ( -0.268 0.345 1.158) 1.238 2.631 ( 0.654 -3.231 0.494) 3.333 2.778 ( 0.579 -0.045 -5.104) 5.137 4.859 ( 0.292 -12.992 0.364) 13.001 5.270 ( -0.720 -1.623 1.203) 2.145 5.588 ( -0.662 8.924 -3.238) 9.516 ======================= Grid point 461 (221/277) ======================= q-point: (-0.17 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -1.924 1.937 0.839) 2.856 0.778 ( 0.280 3.417 -1.883) 3.912 0.894 ( -3.258 1.146 7.942) 8.660 1.093 ( 2.735 -1.023 -7.832) 8.359 1.455 ( -0.257 3.187 -0.743) 3.282 1.510 ( 0.401 10.055 -0.867) 10.101 1.996 ( -0.119 -0.013 0.399) 0.416 2.134 ( -0.058 2.796 0.774) 2.902 2.219 ( 0.122 -1.938 -0.104) 1.945 2.388 ( 0.178 2.916 0.851) 3.043 2.508 ( -0.231 0.545 0.374) 0.700 2.524 ( -0.288 1.115 -0.970) 1.506 2.589 ( -0.197 -3.275 -0.374) 3.302 2.675 ( -0.161 1.855 1.397) 2.328 2.879 ( 0.485 -12.456 -1.878) 12.606 5.120 ( 0.531 -12.043 0.340) 12.059 5.300 ( -0.532 3.455 3.030) 4.626 5.417 ( -0.809 0.733 -5.211) 5.324 ======================= Grid point 462 (222/277) ======================= q-point: (-0.08 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -0.517 0.447 3.878) 3.938 0.736 ( 1.955 1.031 -2.899) 3.646 0.876 ( -2.893 2.767 9.715) 10.507 1.068 ( 1.453 2.879 -5.031) 5.976 1.290 ( -1.869 11.219 2.157) 11.577 1.427 ( 3.565 1.266 -4.422) 5.820 1.992 ( -0.272 0.476 0.781) 0.954 2.063 ( 0.287 4.531 -0.711) 4.595 2.247 ( -0.018 -1.039 -0.328) 1.090 2.282 ( 0.549 8.103 -0.771) 8.158 2.506 ( -0.453 -0.986 0.056) 1.086 2.523 ( -0.268 -0.589 -0.287) 0.707 2.631 ( -1.646 0.919 0.965) 2.118 2.670 ( 0.369 -4.355 -0.017) 4.371 3.137 ( -0.501 -14.026 0.694) 14.052 5.077 ( -0.161 14.745 -0.938) 14.776 5.247 ( 0.041 -3.295 -0.455) 3.327 5.640 ( -0.803 -17.444 0.109) 17.463 ======================= Grid point 465 (223/277) ======================= q-point: ( 0.17 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -0.793 -0.000 -0.797) 1.124 0.706 ( -3.495 -0.000 4.481) 5.683 0.747 ( 2.034 0.000 -5.784) 6.131 0.916 ( 1.628 0.000 -4.678) 4.953 1.088 ( -5.331 -0.000 8.519) 10.049 1.445 ( 5.352 0.000 -8.699) 10.214 1.927 ( 0.173 0.000 -0.337) 0.379 1.992 ( -0.019 -0.000 -1.019) 1.019 2.035 ( -0.462 -0.000 -0.581) 0.742 2.275 ( 0.536 0.000 0.824) 0.983 2.518 ( -1.555 -0.000 1.603) 2.233 2.541 ( -0.031 -0.000 0.232) 0.234 2.620 ( -0.320 -0.000 0.980) 1.031 2.841 ( 1.892 0.000 3.923) 4.355 3.400 ( -6.291 -0.000 1.345) 6.433 4.689 ( 0.012 0.000 -0.085) 0.086 5.338 ( 3.128 0.000 1.328) 3.398 5.984 ( -5.463 -0.000 0.644) 5.501 ======================= Grid point 466 (224/277) ======================= q-point: ( 0.25 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -0.771 -0.305 -2.046) 2.207 0.724 ( 1.343 0.154 -4.738) 4.927 0.794 ( -3.073 -7.665 3.657) 9.032 0.979 ( 1.272 -5.059 -3.820) 6.465 1.111 ( -4.493 -4.169 6.410) 8.869 1.445 ( 4.811 0.004 -8.007) 9.341 1.968 ( -0.068 -3.682 0.298) 3.694 1.988 ( -0.157 -0.271 -0.924) 0.976 2.111 ( -0.255 -7.740 -1.383) 7.867 2.274 ( 0.592 0.710 0.953) 1.328 2.515 ( -0.946 0.083 1.533) 1.803 2.536 ( -0.006 0.631 0.479) 0.792 2.611 ( -0.442 0.878 1.259) 1.597 2.816 ( 2.323 4.623 3.554) 6.277 3.284 ( -6.144 8.598 1.167) 10.632 4.811 ( 0.013 -11.949 0.404) 11.956 5.340 ( 3.398 2.011 0.999) 4.073 5.850 ( -5.636 10.917 0.757) 12.309 ======================= Grid point 467 (225/277) ======================= q-point: ( 0.33 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -0.310 -1.424 -1.285) 1.943 0.738 ( 1.650 -2.401 -2.629) 3.924 0.923 ( -3.490 -4.866 6.049) 8.512 1.030 ( 1.423 -1.848 -3.754) 4.420 1.262 ( -1.618 -10.816 1.955) 11.109 1.461 ( 3.313 -1.931 -5.195) 6.457 1.985 ( -0.552 -0.199 0.178) 0.613 2.053 ( -0.208 -4.576 -0.226) 4.587 2.239 ( -0.291 -1.197 -0.104) 1.236 2.289 ( 0.655 -5.632 -0.834) 5.731 2.512 ( -0.167 0.548 0.480) 0.747 2.528 ( 1.083 0.178 1.577) 1.921 2.605 ( -1.179 -0.698 1.461) 2.003 2.739 ( 2.302 4.997 1.437) 5.687 3.056 ( -4.854 12.507 0.862) 13.443 5.080 ( 0.432 -15.137 1.308) 15.200 5.300 ( 3.079 4.457 -0.653) 5.457 5.567 ( -4.472 15.307 1.703) 16.037 ======================= Grid point 468 (226/277) ======================= q-point: ( 0.42 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 1.153 -3.591 2.684) 4.629 0.815 ( 2.080 -4.824 0.106) 5.255 0.963 ( -3.383 -0.386 7.615) 8.342 1.064 ( 4.462 -1.386 -6.910) 8.341 1.433 ( -0.268 -6.290 1.410) 6.452 1.546 ( 1.341 -7.323 -1.333) 7.563 1.989 ( -0.304 -0.370 0.328) 0.580 2.121 ( -0.940 -2.669 0.233) 2.839 2.211 ( -0.317 2.518 0.210) 2.547 2.380 ( -0.181 -2.728 -1.160) 2.970 2.498 ( -0.617 0.410 -0.052) 0.743 2.555 ( 1.602 -1.415 0.790) 2.279 2.622 ( 1.384 0.977 0.507) 1.768 2.696 ( 0.895 -0.618 -0.774) 1.335 2.800 ( -3.451 11.941 1.372) 12.505 5.118 ( -0.305 13.805 -1.648) 13.906 5.342 ( 0.951 2.745 0.009) 2.905 5.385 ( -0.145 -10.035 4.044) 10.820 ======================= Grid point 469 (227/277) ======================= q-point: ( 0.50 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 2.069 -3.751 4.793) 6.429 0.914 ( 0.967 -3.360 3.245) 4.770 0.983 ( 0.075 -1.680 3.214) 3.627 1.083 ( 4.471 -0.191 -4.784) 6.551 1.527 ( 0.435 -4.165 1.833) 4.572 1.693 ( 0.571 -6.822 0.582) 6.871 1.996 ( 0.103 -0.318 0.455) 0.565 2.131 ( -1.397 2.188 0.637) 2.673 2.154 ( -1.034 2.007 0.048) 2.258 2.396 ( -0.104 0.114 -0.922) 0.934 2.494 ( -0.487 -0.181 -0.643) 0.827 2.557 ( -0.084 4.867 -0.417) 4.886 2.591 ( -0.625 4.806 -0.807) 4.913 2.610 ( 0.986 -1.051 -1.332) 1.962 2.763 ( 1.174 -2.477 0.988) 2.914 4.851 ( -0.351 12.527 -0.502) 12.542 5.286 ( 0.012 2.189 0.788) 2.327 5.605 ( 1.358 -9.343 1.998) 9.650 ======================= Grid point 470 (228/277) ======================= q-point: ( 0.58 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 1.435 -0.883 3.112) 3.539 0.958 ( 0.547 -0.725 2.524) 2.683 1.031 ( 2.108 -1.026 -0.860) 2.497 1.091 ( 1.977 0.202 -1.372) 2.414 1.605 ( 0.487 -2.892 1.753) 3.417 1.793 ( 0.211 -3.502 0.827) 3.604 2.002 ( 0.299 0.017 0.346) 0.457 2.053 ( -0.919 3.690 0.312) 3.815 2.127 ( -1.647 1.113 1.280) 2.365 2.379 ( 0.218 1.266 -1.702) 2.132 2.454 ( -0.213 2.863 -0.190) 2.877 2.500 ( -0.422 -0.215 -0.747) 0.884 2.553 ( 0.755 0.853 -0.902) 1.453 2.636 ( -0.475 -1.470 -1.227) 1.973 2.801 ( 1.777 -0.599 -0.375) 1.912 4.671 ( -0.053 6.450 -0.004) 6.450 5.258 ( -0.272 0.981 0.620) 1.192 5.743 ( 0.819 -4.347 1.067) 4.551 ======================= Grid point 471 (229/277) ======================= q-point: (-0.33 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -0.140 2.380 0.684) 2.480 0.969 ( 1.259 0.118 -1.280) 1.799 1.013 ( 0.446 2.909 -2.142) 3.640 1.083 ( 0.190 1.262 -0.266) 1.304 1.628 ( -0.242 1.135 0.430) 1.237 1.827 ( -0.179 0.229 0.119) 0.314 1.993 ( -0.183 0.764 0.069) 0.789 2.027 ( 0.025 -1.202 0.349) 1.252 2.116 ( -1.421 -0.590 2.263) 2.736 2.358 ( 0.225 0.149 -0.216) 0.346 2.435 ( 0.211 -0.362 0.015) 0.420 2.506 ( 0.749 -0.794 -1.310) 1.705 2.549 ( 0.270 0.071 0.012) 0.280 2.651 ( -0.307 -0.531 -0.039) 0.614 2.803 ( 1.295 0.756 -2.444) 2.867 4.611 ( -0.022 0.023 0.040) 0.051 5.248 ( -0.427 0.168 0.759) 0.887 5.779 ( 0.078 0.846 -0.172) 0.867 ======================= Grid point 472 (230/277) ======================= q-point: (-0.25 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -1.803 4.360 -1.013) 4.826 0.933 ( -1.181 4.393 -1.433) 4.769 0.959 ( 0.276 1.235 -1.480) 1.947 1.052 ( 1.162 1.230 -3.246) 3.660 1.575 ( -0.639 3.479 -0.571) 3.583 1.783 ( -0.353 4.150 -0.556) 4.201 1.988 ( -0.127 -0.143 0.129) 0.231 2.087 ( 0.171 -4.627 0.571) 4.665 2.142 ( -1.161 -1.630 2.601) 3.282 2.376 ( -0.323 -1.450 1.832) 2.358 2.459 ( 1.061 -2.060 -0.990) 2.520 2.534 ( 0.735 -2.130 -0.458) 2.300 2.547 ( 0.081 0.383 0.571) 0.692 2.646 ( 0.349 1.405 0.358) 1.491 2.780 ( 0.578 0.988 -3.892) 4.057 4.673 ( 0.009 -6.765 0.038) 6.765 5.252 ( -0.445 -0.527 0.885) 1.122 5.715 ( -0.375 5.597 -1.289) 5.755 ======================= Grid point 473 (231/277) ======================= q-point: (-0.17 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -2.191 3.295 -0.705) 4.019 0.846 ( -0.527 4.088 -0.715) 4.183 0.922 ( -1.839 1.799 3.436) 4.292 1.053 ( 3.060 -1.623 -7.269) 8.052 1.508 ( -0.351 3.112 -0.593) 3.188 1.672 ( -0.235 7.320 -0.517) 7.342 1.993 ( -0.154 -0.274 0.271) 0.415 2.161 ( -0.761 0.000 1.832) 1.983 2.173 ( 0.099 -3.564 0.465) 3.596 2.403 ( -0.730 -0.788 1.962) 2.237 2.505 ( 1.088 -1.401 -1.238) 2.163 2.547 ( 0.249 -0.548 0.358) 0.701 2.573 ( -0.014 1.393 1.220) 1.852 2.639 ( 0.427 -4.746 0.201) 4.769 2.755 ( 0.244 0.421 -4.179) 4.208 4.863 ( 0.209 -13.320 0.154) 13.323 5.271 ( -0.489 -1.690 1.139) 2.096 5.566 ( -0.408 9.528 -2.091) 9.763 ======================= Grid point 474 (232/277) ======================= q-point: (-0.08 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -1.132 0.475 1.678) 2.079 0.774 ( 1.019 3.101 -1.739) 3.699 0.910 ( -2.703 0.286 8.199) 8.638 1.077 ( 3.004 -0.845 -7.943) 8.534 1.447 ( -0.862 4.034 -0.186) 4.129 1.514 ( 1.334 8.703 -1.052) 8.868 1.996 ( -0.327 -0.044 0.408) 0.524 2.136 ( -0.311 2.878 0.571) 2.951 2.219 ( -0.032 -1.675 -0.087) 1.678 2.392 ( -0.113 2.864 0.510) 2.911 2.508 ( -0.132 1.111 0.538) 1.241 2.518 ( 0.013 1.089 -0.620) 1.253 2.589 ( 0.577 -2.742 -0.344) 2.823 2.682 ( 0.120 2.419 0.869) 2.573 2.868 ( -0.907 -13.535 -1.015) 13.604 5.127 ( 0.767 -11.905 -0.280) 11.933 5.317 ( -0.156 4.623 3.763) 5.963 5.380 ( -1.187 -0.443 -4.018) 4.214 ======================= Grid point 478 (233/277) ======================= q-point: ( 0.25 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -0.836 -0.000 -2.978) 3.093 0.692 ( -3.946 -0.000 4.114) 5.701 0.730 ( 1.262 0.000 -6.171) 6.299 0.902 ( 1.375 0.000 -5.265) 5.441 1.079 ( -5.362 -0.000 8.117) 9.728 1.447 ( 4.906 0.000 -9.124) 10.359 1.926 ( 0.022 0.000 -0.685) 0.686 1.986 ( -0.084 -0.000 -0.932) 0.936 2.027 ( -0.483 -0.000 -0.470) 0.674 2.287 ( 0.731 0.000 1.022) 1.256 2.513 ( -1.262 -0.000 1.823) 2.217 2.543 ( 0.062 0.000 0.463) 0.467 2.626 ( 0.226 0.000 1.301) 1.320 2.890 ( 2.584 0.000 4.969) 5.600 3.337 ( -7.438 -0.000 1.575) 7.602 4.688 ( 0.000 0.000 -0.103) 0.103 5.383 ( 3.884 0.000 1.425) 4.138 5.923 ( -6.833 -0.000 0.634) 6.862 ======================= Grid point 479 (234/277) ======================= q-point: ( 0.33 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -0.933 -0.515 -3.610) 3.764 0.709 ( 1.020 -0.401 -4.699) 4.825 0.779 ( -3.540 -8.177 3.300) 9.502 0.968 ( 1.139 -5.481 -4.066) 6.919 1.101 ( -4.359 -4.140 6.434) 8.806 1.445 ( 4.172 -0.172 -8.120) 9.131 1.968 ( -0.148 -3.779 0.116) 3.783 1.982 ( 0.020 -0.284 -0.880) 0.925 2.100 ( -0.379 -7.618 -1.239) 7.728 2.286 ( 0.651 0.785 1.003) 1.430 2.517 ( -0.419 -0.364 1.806) 1.889 2.539 ( 0.062 0.481 0.616) 0.783 2.617 ( 0.206 1.303 1.337) 1.878 2.863 ( 2.400 5.317 4.142) 7.155 3.223 ( -6.680 7.919 1.200) 10.430 4.816 ( 0.219 -12.409 0.710) 12.431 5.383 ( 3.662 2.574 0.671) 4.526 5.791 ( -6.338 10.096 0.796) 11.947 ======================= Grid point 480 (235/277) ======================= q-point: ( 0.42 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( -0.193 -3.157 -1.537) 3.517 0.741 ( 1.397 -3.551 -2.123) 4.367 0.915 ( -4.183 -5.693 5.304) 8.834 1.026 ( 1.607 -2.173 -3.191) 4.181 1.260 ( -1.168 -11.280 2.134) 11.540 1.461 ( 2.556 -2.167 -5.312) 6.281 1.981 ( -0.308 -0.281 0.050) 0.420 2.050 ( -0.207 -4.276 -0.113) 4.283 2.235 ( -0.265 -2.945 -0.039) 2.957 2.290 ( 0.442 -3.557 -0.926) 3.702 2.513 ( -0.123 1.116 0.354) 1.177 2.555 ( 1.983 -1.102 2.024) 3.040 2.602 ( -0.759 -0.370 1.292) 1.543 2.770 ( 1.820 6.048 1.716) 6.544 3.009 ( -4.983 11.597 0.753) 12.645 5.096 ( 0.840 -15.308 1.906) 15.449 5.326 ( 2.859 5.605 -1.577) 6.487 5.530 ( -4.419 13.408 2.058) 14.267 ======================= Grid point 481 (236/277) ======================= q-point: ( 0.50 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 1.028 -5.486 2.468) 6.102 0.836 ( 1.619 -5.634 0.420) 5.877 0.967 ( -4.161 -1.337 7.114) 8.350 1.073 ( 4.746 -2.051 -6.422) 8.244 1.442 ( 0.087 -6.575 1.878) 6.838 1.548 ( 0.852 -7.867 -1.823) 8.121 1.989 ( -0.129 -0.559 0.310) 0.652 2.113 ( -0.892 -2.439 0.287) 2.613 2.210 ( -0.214 3.036 0.570) 3.097 2.371 ( -0.142 -2.907 -1.573) 3.308 2.492 ( -0.430 0.704 -0.145) 0.837 2.572 ( 0.864 -0.087 0.614) 1.063 2.643 ( 1.844 0.654 1.026) 2.210 2.703 ( 1.359 0.345 -0.876) 1.653 2.770 ( -3.631 10.278 1.206) 10.967 5.105 ( -0.472 14.033 -1.274) 14.099 5.352 ( -0.047 4.943 1.447) 5.150 5.407 ( 1.204 -12.949 2.072) 13.169 ======================= Grid point 482 (237/277) ======================= q-point: ( 0.58 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 1.332 -3.948 3.688) 5.564 0.939 ( 0.109 -3.301 3.427) 4.760 0.999 ( -0.201 -2.430 2.578) 3.548 1.102 ( 4.216 -0.234 -4.701) 6.319 1.543 ( 0.436 -4.409 1.852) 4.802 1.701 ( 0.483 -7.035 0.188) 7.054 2.000 ( 0.022 -0.488 0.519) 0.713 2.123 ( -1.139 2.056 1.043) 2.572 2.144 ( -0.882 2.546 0.068) 2.696 2.389 ( -0.077 0.067 -1.375) 1.379 2.486 ( -0.309 -0.274 -0.557) 0.693 2.550 ( -0.954 6.741 0.324) 6.816 2.586 ( 0.300 2.256 -0.539) 2.339 2.609 ( 0.322 0.520 -1.445) 1.569 2.782 ( 1.637 -2.766 0.257) 3.224 4.845 ( -0.277 12.100 -0.363) 12.108 5.289 ( -0.219 2.410 0.833) 2.559 5.629 ( 1.380 -8.990 1.431) 9.207 ======================= Grid point 483 (238/277) ======================= q-point: (-0.33 -0.75 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 0.687 0.038 2.138) 2.246 0.978 ( 0.442 -0.330 2.455) 2.517 1.043 ( 1.415 -0.326 -1.439) 2.044 1.101 ( 1.541 0.698 -1.555) 2.298 1.618 ( 0.304 -2.481 1.453) 2.891 1.800 ( 0.232 -3.251 0.494) 3.296 2.006 ( 0.013 0.118 0.374) 0.392 2.048 ( -0.505 3.500 0.548) 3.578 2.117 ( -1.581 0.872 1.354) 2.257 2.371 ( 0.140 1.052 -1.620) 1.937 2.451 ( -0.313 2.553 0.184) 2.579 2.495 ( 0.151 -0.552 -0.735) 0.931 2.556 ( 0.594 0.983 -0.664) 1.326 2.623 ( -0.603 -1.616 -0.972) 1.980 2.816 ( 1.802 -0.082 -1.024) 2.074 4.671 ( -0.035 6.339 0.008) 6.339 5.259 ( -0.406 1.042 0.672) 1.305 5.756 ( 0.690 -3.714 0.625) 3.829 ======================= Grid point 484 (239/277) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -0.292 3.625 0.714) 3.707 0.977 ( 1.479 0.955 -1.129) 2.091 1.004 ( 0.321 3.747 -2.282) 4.399 1.084 ( 0.216 1.634 -0.323) 1.680 1.628 ( -0.224 1.861 0.444) 1.926 1.826 ( -0.145 0.612 0.125) 0.641 1.992 ( -0.083 0.811 -0.047) 0.817 2.029 ( -0.147 -1.328 0.401) 1.395 2.114 ( -1.465 -0.992 2.338) 2.932 2.360 ( 0.275 -0.396 0.007) 0.482 2.437 ( 0.185 -0.544 -0.321) 0.658 2.507 ( 0.978 -0.989 -1.280) 1.890 2.550 ( -0.053 -0.023 0.051) 0.077 2.647 ( -0.201 -1.177 -0.026) 1.195 2.802 ( 1.304 1.676 -2.439) 3.234 4.611 ( -0.022 0.043 0.040) 0.062 5.248 ( -0.431 0.131 0.764) 0.887 5.779 ( 0.088 1.454 -0.169) 1.466 ======================= Grid point 485 (240/277) ======================= q-point: (-0.17 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -0.975 5.338 0.384) 5.440 0.918 ( -0.571 4.254 -0.541) 4.326 0.958 ( 1.031 1.672 -1.030) 2.218 1.049 ( 1.694 1.476 -2.946) 3.705 1.569 ( -0.310 3.666 0.006) 3.679 1.777 ( -0.237 4.281 -0.115) 4.289 1.988 ( 0.009 -0.170 0.098) 0.196 2.089 ( -0.351 -4.786 0.368) 4.813 2.144 ( -1.258 -1.718 2.455) 3.250 2.383 ( -0.293 -1.367 1.514) 2.061 2.464 ( 1.128 -2.330 -1.598) 3.042 2.538 ( 0.611 -2.268 -0.595) 2.423 2.548 ( -0.289 0.249 0.432) 0.576 2.650 ( 0.431 1.405 -0.119) 1.475 2.767 ( 0.742 1.453 -2.892) 3.321 4.673 ( -0.003 -6.826 0.019) 6.826 5.252 ( -0.335 -0.561 0.808) 1.039 5.707 ( -0.076 6.010 -0.581) 6.039 ======================= Grid point 486 (241/277) ======================= q-point: (-0.08 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -0.621 3.170 1.767) 3.682 0.844 ( 0.498 3.826 0.257) 3.867 0.928 ( -1.075 1.289 3.844) 4.195 1.048 ( 3.674 -1.132 -6.700) 7.725 1.504 ( -0.154 3.147 0.054) 3.151 1.670 ( 0.111 7.157 0.004) 7.158 1.992 ( -0.170 -0.212 0.260) 0.376 2.161 ( -1.104 -0.398 1.326) 1.771 2.175 ( -0.258 -3.173 0.353) 3.203 2.405 ( -0.767 -0.629 1.453) 1.760 2.508 ( 0.867 -1.013 -1.252) 1.829 2.551 ( 0.508 -0.910 -0.256) 1.073 2.582 ( 0.385 2.087 1.057) 2.371 2.639 ( -0.154 -6.339 -0.734) 6.384 2.739 ( 0.322 1.444 -2.247) 2.690 4.865 ( 0.058 -13.468 -0.140) 13.469 5.273 ( -0.293 -1.768 1.004) 2.054 5.557 ( 0.125 9.909 -0.539) 9.925 ======================= Grid point 491 (242/277) ======================= q-point: ( 0.33 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -1.103 -0.000 -3.986) 4.136 0.673 ( -4.217 -0.000 4.165) 5.927 0.704 ( 0.600 0.000 -5.949) 5.979 0.885 ( 1.348 0.000 -5.521) 5.683 1.072 ( -5.095 -0.000 8.218) 9.669 1.442 ( 4.155 0.000 -8.949) 9.866 1.919 ( -0.214 -0.000 -1.106) 1.126 1.981 ( 0.088 0.000 -0.903) 0.907 2.021 ( -0.237 -0.000 0.008) 0.237 2.300 ( 0.678 0.000 0.928) 1.149 2.514 ( -0.577 -0.000 1.933) 2.018 2.548 ( 0.214 0.000 0.531) 0.572 2.638 ( 0.687 0.000 1.215) 1.396 2.947 ( 2.407 0.000 5.162) 5.695 3.269 ( -7.222 -0.000 1.936) 7.477 4.688 ( -0.003 -0.000 -0.108) 0.108 5.430 ( 3.740 0.000 0.776) 3.819 5.855 ( -6.861 -0.000 0.788) 6.906 ======================= Grid point 492 (243/277) ======================= q-point: ( 0.42 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -1.093 -0.975 -3.578) 3.866 0.692 ( 0.559 -1.226 -4.176) 4.388 0.760 ( -3.916 -8.379 3.500) 9.889 0.957 ( 1.237 -6.071 -4.168) 7.467 1.095 ( -4.057 -4.151 6.710) 8.873 1.438 ( 3.312 -0.304 -7.761) 8.444 1.966 ( -0.275 -3.851 -0.012) 3.861 1.979 ( 0.442 -0.540 -0.999) 1.218 2.090 ( -0.321 -7.282 -0.839) 7.337 2.297 ( 0.509 0.888 0.809) 1.304 2.526 ( 0.225 -0.589 1.720) 1.832 2.544 ( 0.192 0.197 0.636) 0.693 2.629 ( 0.726 1.571 1.104) 2.053 2.909 ( 1.760 6.110 3.982) 7.502 3.164 ( -5.956 7.467 1.477) 9.665 4.823 ( 0.417 -13.146 0.820) 13.178 5.420 ( 3.158 3.156 -0.311) 4.475 5.733 ( -5.593 9.267 1.189) 10.889 ======================= Grid point 493 (244/277) ======================= q-point: ( 0.50 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -0.247 -4.880 -0.920) 4.972 0.742 ( 0.836 -4.642 -1.607) 4.982 0.898 ( -5.134 -6.104 5.519) 9.700 1.027 ( 2.180 -2.837 -3.115) 4.744 1.262 ( -0.858 -11.896 2.382) 12.162 1.453 ( 1.812 -2.294 -5.205) 5.970 1.980 ( -0.002 -0.352 -0.065) 0.358 2.048 ( -0.134 -3.996 -0.055) 3.998 2.233 ( -0.123 -4.770 0.115) 4.773 2.287 ( 0.182 -1.453 -0.963) 1.753 2.514 ( 0.073 1.518 0.166) 1.529 2.589 ( 2.117 -2.553 1.895) 3.820 2.604 ( -0.171 0.443 0.914) 1.030 2.794 ( 0.940 6.992 1.601) 7.234 2.965 ( -4.072 10.964 0.893) 11.730 5.118 ( 1.017 -15.667 2.116) 15.841 5.338 ( 1.713 7.103 -2.662) 7.776 5.504 ( -2.840 11.397 2.370) 11.982 ======================= Grid point 494 (245/277) ======================= q-point: (-0.42 -0.67 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.394 -6.809 1.983) 7.102 0.851 ( 0.634 -6.246 0.478) 6.296 0.959 ( -4.841 -2.464 6.637) 8.577 1.087 ( 4.832 -2.363 -6.064) 8.106 1.455 ( 0.215 -6.516 2.120) 6.856 1.543 ( 0.471 -8.737 -2.297) 9.046 1.989 ( -0.039 -0.656 0.251) 0.704 2.106 ( -0.682 -2.236 0.445) 2.379 2.213 ( -0.092 3.481 0.842) 3.583 2.360 ( -0.138 -3.113 -1.596) 3.501 2.488 ( -0.099 0.953 -0.209) 0.981 2.580 ( 0.226 0.633 0.414) 0.789 2.666 ( 0.844 2.582 1.316) 3.018 2.718 ( 2.603 -1.837 -1.013) 3.343 2.739 ( -3.197 10.263 0.768) 10.777 5.095 ( -0.316 14.161 -0.774) 14.185 5.354 ( -1.622 4.183 2.420) 5.097 5.434 ( 2.729 -12.605 -0.169) 12.898 ======================= Grid point 495 (246/277) ======================= q-point: (-0.33 -0.67 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 0.192 -3.998 2.306) 4.620 0.953 ( -0.944 -3.597 3.040) 4.803 1.007 ( -0.860 -3.071 1.922) 3.723 1.115 ( 3.805 0.014 -5.054) 6.326 1.556 ( 0.212 -4.498 1.357) 4.703 1.705 ( 0.387 -7.339 -0.236) 7.353 2.002 ( -0.211 -0.555 0.499) 0.776 2.120 ( -0.840 1.300 1.531) 2.177 2.138 ( -0.492 3.642 0.159) 3.678 2.380 ( -0.136 0.090 -1.213) 1.224 2.482 ( 0.138 -0.299 -0.474) 0.577 2.543 ( -1.103 7.097 0.922) 7.242 2.588 ( 0.433 0.616 -0.152) 0.768 2.601 ( -0.231 2.160 -1.278) 2.521 2.799 ( 2.051 -2.731 -0.977) 3.552 4.842 ( -0.113 11.833 -0.171) 11.835 5.290 ( -0.586 2.505 0.905) 2.727 5.648 ( 1.215 -8.641 0.319) 8.732 ======================= Grid point 496 (247/277) ======================= q-point: (-0.25 -0.67 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -0.272 0.404 1.039) 1.147 0.993 ( 0.065 -0.395 1.886) 1.928 1.043 ( 0.678 0.172 -2.155) 2.265 1.105 ( 1.004 0.940 -1.914) 2.357 1.627 ( -0.046 -2.214 0.798) 2.354 1.804 ( 0.226 -3.121 0.095) 3.131 2.006 ( -0.370 0.195 0.365) 0.555 2.049 ( -0.009 3.529 0.593) 3.578 2.111 ( -1.364 0.729 1.839) 2.403 2.364 ( 0.101 0.720 -1.114) 1.330 2.449 ( -0.360 2.379 0.358) 2.432 2.495 ( 0.734 -0.697 -0.736) 1.251 2.556 ( 0.045 1.116 -0.643) 1.289 2.615 ( -0.270 -1.801 -0.237) 1.837 2.826 ( 1.721 0.322 -1.904) 2.587 4.671 ( -0.009 6.291 0.022) 6.291 5.258 ( -0.550 1.020 0.754) 1.383 5.764 ( 0.437 -3.325 -0.060) 3.354 ======================= Grid point 497 (248/277) ======================= q-point: (-0.17 -0.67 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -0.465 3.912 0.596) 3.984 0.982 ( 0.993 2.266 -2.224) 3.327 0.999 ( 0.957 2.841 -1.114) 3.198 1.084 ( 0.175 1.568 -0.327) 1.611 1.628 ( -0.211 2.089 0.427) 2.143 1.825 ( -0.076 0.836 0.204) 0.864 1.991 ( 0.015 0.706 0.046) 0.708 2.029 ( -0.323 -1.151 0.290) 1.231 2.113 ( -1.390 -1.156 2.532) 3.111 2.363 ( 0.310 -0.810 -0.245) 0.902 2.435 ( -0.009 -0.588 -0.363) 0.691 2.511 ( 1.210 -0.950 -1.592) 2.213 2.548 ( -0.500 -0.115 0.145) 0.533 2.647 ( 0.042 -1.473 0.186) 1.485 2.802 ( 1.336 2.142 -2.391) 3.477 4.611 ( -0.022 0.051 0.040) 0.068 5.248 ( -0.430 0.059 0.772) 0.885 5.779 ( 0.103 1.672 -0.164) 1.683 ======================= Grid point 498 (249/277) ======================= q-point: (-0.08 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 0.109 5.200 1.987) 5.568 0.915 ( -0.018 3.559 0.609) 3.611 0.968 ( 1.850 1.960 -0.728) 2.792 1.053 ( 2.091 1.394 -2.437) 3.501 1.569 ( 0.033 3.707 0.661) 3.766 1.777 ( -0.077 4.255 0.384) 4.273 1.989 ( 0.136 -0.123 0.091) 0.204 2.084 ( -0.836 -4.708 0.165) 4.785 2.144 ( -1.305 -1.732 2.242) 3.119 2.387 ( -0.182 -1.260 0.785) 1.496 2.464 ( 0.918 -2.692 -1.859) 3.398 2.537 ( -0.288 -1.692 -0.707) 1.857 2.548 ( 0.140 -0.342 -0.122) 0.389 2.653 ( 0.400 1.469 -0.579) 1.629 2.763 ( 1.082 1.629 -1.586) 2.518 4.673 ( -0.022 -6.815 0.000) 6.815 5.254 ( -0.242 -0.636 0.723) 0.993 5.707 ( 0.288 6.043 0.199) 6.053 ======================= Grid point 504 (250/277) ======================= q-point: ( 0.42 0.42 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -1.623 -0.000 -3.431) 3.796 0.654 ( -4.212 -0.000 4.660) 6.281 0.675 ( 0.056 0.000 -5.024) 5.024 0.868 ( 1.547 0.000 -5.378) 5.596 1.069 ( -4.851 -0.000 8.574) 9.851 1.431 ( 3.229 0.000 -8.217) 8.829 1.910 ( -0.283 -0.000 -1.174) 1.207 1.978 ( 0.445 0.000 -0.979) 1.076 2.021 ( -0.042 -0.000 0.327) 0.330 2.311 ( 0.466 0.000 0.664) 0.811 2.523 ( 0.196 0.000 1.685) 1.696 2.553 ( 0.354 0.000 0.341) 0.492 2.653 ( 0.866 0.000 0.821) 1.193 2.994 ( 1.347 0.000 4.187) 4.398 3.216 ( -5.312 -0.000 2.759) 5.986 4.687 ( 0.004 0.000 -0.099) 0.099 5.466 ( 2.874 0.000 -0.507) 2.919 5.797 ( -5.059 -0.000 1.477) 5.270 ======================= Grid point 505 (251/277) ======================= q-point: (-0.50 -0.58 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( -1.361 -1.700 -2.254) 3.134 0.674 ( 0.027 -2.070 -3.099) 3.727 0.740 ( -4.076 -8.167 4.251) 10.069 0.947 ( 1.559 -6.724 -4.057) 8.006 1.094 ( -3.892 -4.174 7.086) 9.098 1.426 ( 2.461 -0.396 -6.985) 7.417 1.962 ( -0.256 -4.044 -0.115) 4.053 1.980 ( 0.834 -0.768 -1.145) 1.611 2.084 ( -0.165 -6.862 -0.416) 6.876 2.305 ( 0.257 0.997 0.514) 1.151 2.539 ( 0.577 0.070 0.934) 1.101 2.551 ( 0.429 -0.738 0.560) 1.021 2.643 ( 0.786 1.617 0.622) 1.903 2.941 ( 0.449 6.683 3.023) 7.349 3.123 ( -3.629 7.488 2.257) 8.622 4.833 ( 0.493 -13.955 0.610) 13.977 5.442 ( 1.977 3.706 -1.551) 4.478 5.696 ( -3.054 8.620 1.992) 9.360 ======================= Grid point 506 (252/277) ======================= q-point: (-0.42 -0.58 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -0.693 -6.163 -0.106) 6.203 0.739 ( 0.117 -5.411 -1.071) 5.517 0.874 ( -5.849 -6.091 6.300) 10.536 1.035 ( 2.788 -3.589 -3.093) 5.497 1.269 ( -0.722 -12.513 2.560) 12.792 1.440 ( 1.287 -2.302 -4.768) 5.449 1.980 ( 0.223 -0.379 -0.209) 0.487 2.047 ( 0.001 -3.811 -0.020) 3.811 2.234 ( 0.107 -6.562 0.204) 6.566 2.283 ( -0.060 0.529 -0.796) 0.958 2.516 ( 0.292 1.774 -0.074) 1.799 2.609 ( 0.343 -0.332 0.526) 0.710 2.616 ( 1.124 -2.113 0.739) 2.505 2.805 ( -0.294 7.626 1.134) 7.715 2.941 ( -1.668 10.756 1.626) 11.006 5.138 ( 0.589 -16.216 1.568) 16.303 5.332 ( 0.372 8.633 -2.708) 9.055 5.501 ( -0.122 9.977 1.962) 10.169 ======================= Grid point 507 (253/277) ======================= q-point: (-0.33 -0.58 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -0.532 -7.508 1.252) 7.630 0.854 ( -0.646 -6.512 0.399) 6.556 0.944 ( -5.176 -3.450 6.261) 8.826 1.103 ( 4.702 -2.238 -5.911) 7.878 1.469 ( 0.061 -5.877 1.868) 6.167 1.533 ( 0.336 -9.944 -2.360) 10.226 1.990 ( -0.040 -0.636 0.162) 0.657 2.104 ( -0.373 -2.138 0.669) 2.271 2.217 ( -0.060 3.760 0.725) 3.830 2.351 ( -0.036 -3.273 -1.048) 3.437 2.488 ( 0.270 1.078 -0.211) 1.131 2.583 ( -0.051 0.933 0.213) 0.958 2.673 ( -0.646 4.307 1.203) 4.518 2.703 ( -3.097 3.449 -0.208) 4.640 2.755 ( 4.262 3.412 -0.659) 5.499 5.090 ( -0.024 14.188 -0.292) 14.191 5.347 ( -2.609 2.187 2.547) 4.251 5.460 ( 3.420 -10.574 -1.974) 11.287 ======================= Grid point 508 (254/277) ======================= q-point: (-0.25 -0.58 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -0.999 -3.967 0.923) 4.193 0.954 ( -1.915 -4.201 2.229) 5.127 1.003 ( -1.720 -3.404 1.342) 4.043 1.121 ( 3.293 0.520 -5.714) 6.615 1.561 ( -0.187 -4.461 0.442) 4.487 1.706 ( 0.285 -7.564 -0.507) 7.586 2.001 ( -0.429 -0.502 0.435) 0.791 2.122 ( -0.625 0.330 1.849) 1.980 2.137 ( 0.002 4.715 0.282) 4.723 2.373 ( -0.096 0.154 -0.450) 0.485 2.483 ( 0.590 -0.307 -0.368) 0.760 2.538 ( -1.059 6.873 1.365) 7.086 2.585 ( -0.548 0.290 -0.987) 1.166 2.597 ( 0.341 2.481 0.204) 2.513 2.812 ( 2.240 -2.304 -2.387) 4.003 4.841 ( 0.072 11.775 0.034) 11.775 5.288 ( -0.945 2.416 0.984) 2.775 5.657 ( 0.875 -8.320 -1.060) 8.433 ======================= Grid point 509 (255/277) ======================= q-point: (-0.17 -0.58 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -1.162 0.299 -0.018) 1.200 0.999 ( -0.525 -0.834 0.943) 1.364 1.033 ( 0.064 0.229 -2.791) 2.801 1.100 ( 0.509 0.860 -2.325) 2.531 1.626 ( -0.461 -2.200 -0.010) 2.248 1.805 ( 0.159 -3.144 -0.278) 3.160 2.003 ( -0.633 0.226 0.344) 0.755 2.054 ( 0.375 3.615 0.413) 3.658 2.111 ( -1.041 0.771 2.569) 2.877 2.361 ( 0.088 0.574 -0.467) 0.745 2.448 ( -0.381 2.317 0.517) 2.405 2.501 ( 1.216 -0.638 -0.764) 1.572 2.550 ( -0.469 1.011 -0.648) 1.289 2.616 ( 0.171 -1.766 0.593) 1.871 2.829 ( 1.531 0.515 -2.830) 3.258 4.671 ( 0.013 6.315 0.035) 6.315 5.256 ( -0.656 0.917 0.841) 1.407 5.764 ( 0.111 -3.277 -0.814) 3.378 ======================= Grid point 510 (256/277) ======================= q-point: (-0.08 -0.58 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -0.486 3.189 0.447) 3.257 0.975 ( 0.637 2.837 -2.569) 3.880 1.008 ( 1.369 1.269 -0.709) 1.997 1.084 ( 0.108 1.084 -0.272) 1.123 1.628 ( -0.215 1.752 0.396) 1.809 1.826 ( -0.042 0.854 0.279) 0.899 1.992 ( 0.023 0.411 0.251) 0.482 2.026 ( -0.323 -0.650 0.147) 0.741 2.114 ( -1.287 -1.023 2.631) 3.102 2.364 ( 0.315 -1.034 -0.742) 1.311 2.433 ( -0.189 -0.455 -0.056) 0.496 2.513 ( 1.158 -0.587 -2.076) 2.449 2.544 ( -0.532 -0.278 0.384) 0.713 2.650 ( 0.137 -1.340 0.354) 1.392 2.803 ( 1.359 2.030 -2.346) 3.387 4.611 ( -0.022 0.045 0.040) 0.064 5.248 ( -0.423 -0.028 0.776) 0.884 5.779 ( 0.107 1.442 -0.162) 1.455 ======================= Grid point 517 (257/277) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( -2.030 -0.000 -1.391) 2.461 0.641 ( -3.911 -0.000 5.492) 6.742 0.650 ( -0.141 -0.000 -3.423) 3.426 0.857 ( 1.922 0.000 -4.869) 5.234 1.068 ( -5.079 -0.000 8.972) 10.310 1.415 ( 2.392 0.000 -7.157) 7.546 1.902 ( -0.108 -0.000 -0.818) 0.825 1.979 ( 0.837 0.000 -1.158) 1.429 2.023 ( -0.027 -0.000 0.333) 0.334 2.317 ( 0.173 0.000 0.325) 0.368 2.535 ( 0.544 0.000 0.895) 1.047 2.558 ( 0.453 0.000 -0.062) 0.457 2.664 ( 0.628 0.000 0.202) 0.660 3.018 ( -0.541 -0.000 2.637) 2.692 3.198 ( -1.523 -0.000 3.565) 3.877 4.687 ( 0.017 0.000 -0.079) 0.081 5.482 ( 1.434 0.000 -1.753) 2.265 5.774 ( -1.447 -0.000 2.374) 2.780 ======================= Grid point 518 (258/277) ======================= q-point: (-0.42 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( -1.737 -2.284 -0.191) 2.876 0.659 ( -0.259 -2.618 -1.611) 3.085 0.726 ( -3.880 -7.578 5.342) 10.051 0.943 ( 1.981 -7.291 -3.686) 8.406 1.095 ( -3.949 -4.391 7.439) 9.498 1.411 ( 1.889 -0.493 -5.999) 6.309 1.960 ( -0.187 -4.151 -0.078) 4.156 1.983 ( 1.159 -0.916 -1.311) 1.975 2.081 ( 0.029 -6.620 -0.127) 6.621 2.309 ( -0.024 1.068 0.197) 1.086 2.547 ( 0.511 1.059 -0.008) 1.176 2.558 ( 0.453 -1.814 0.029) 1.870 2.651 ( 0.387 1.604 -0.087) 1.652 2.951 ( -1.335 6.839 1.921) 7.228 3.120 ( 0.087 7.998 2.987) 8.538 4.839 ( 0.387 -14.490 0.038) 14.495 5.443 ( 0.496 4.069 -2.116) 4.613 5.696 ( 0.661 8.406 2.392) 8.765 ======================= Grid point 519 (259/277) ======================= q-point: (-0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -1.352 -6.815 0.640) 6.977 0.733 ( -0.444 -5.616 -0.529) 5.659 0.851 ( -5.997 -5.709 7.262) 11.014 1.049 ( 3.132 -4.201 -2.983) 6.029 1.276 ( -0.663 -12.944 2.516) 13.202 1.427 ( 1.069 -2.246 -4.037) 4.742 1.981 ( 0.289 -0.387 -0.303) 0.570 2.048 ( 0.199 -3.738 -0.020) 3.743 2.237 ( 0.395 -7.964 0.025) 7.974 2.278 ( -0.216 2.034 -0.350) 2.075 2.519 ( 0.465 1.852 -0.317) 1.935 2.614 ( 0.042 2.126 -0.261) 2.142 2.619 ( -0.024 -4.393 -0.563) 4.429 2.800 ( -1.759 7.875 0.768) 8.105 2.953 ( 1.636 10.728 2.372) 11.108 5.145 ( -0.356 -16.341 0.169) 16.346 5.320 ( -0.151 9.162 -1.614) 9.304 5.522 ( 2.268 9.840 0.961) 10.144 ======================= Grid point 520 (260/277) ======================= q-point: (-0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -1.452 -7.661 0.443) 7.810 0.843 ( -1.675 -6.378 0.310) 6.602 0.925 ( -5.168 -3.973 5.994) 8.855 1.116 ( 4.328 -1.695 -6.015) 7.602 1.475 ( -0.196 -4.698 0.653) 4.748 1.525 ( 0.320 -11.267 -1.488) 11.369 1.990 ( -0.054 -0.532 0.105) 0.545 2.106 ( -0.063 -2.173 0.892) 2.350 2.219 ( -0.086 3.754 0.236) 3.762 2.349 ( 0.235 -3.280 -0.083) 3.289 2.491 ( 0.545 1.049 -0.149) 1.191 2.581 ( -0.385 0.980 -0.113) 1.059 2.665 ( -1.895 5.590 -0.790) 5.955 2.674 ( -2.109 1.521 1.488) 2.996 2.798 ( 4.663 4.362 -1.158) 6.490 5.091 ( 0.238 14.075 0.136) 14.078 5.331 ( -2.949 0.409 2.285) 3.753 5.480 ( 3.305 -8.256 -3.487) 9.552 ======================= Grid point 521 (261/277) ======================= q-point: (-0.17 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -2.037 -3.923 -0.421) 4.441 0.940 ( -2.547 -4.782 1.227) 5.556 0.988 ( -2.504 -3.448 1.017) 4.381 1.118 ( 2.764 1.153 -6.491) 7.148 1.557 ( -0.552 -4.324 -0.509) 4.389 1.705 ( 0.084 -7.613 -0.689) 7.645 1.999 ( -0.510 -0.350 0.345) 0.708 2.128 ( -0.384 0.280 1.904) 1.962 2.141 ( 0.349 4.561 0.552) 4.608 2.373 ( 0.032 0.274 0.533) 0.600 2.489 ( 0.815 -0.174 -0.295) 0.884 2.536 ( -1.079 6.169 1.604) 6.465 2.573 ( -0.647 1.095 -0.622) 1.416 2.604 ( 0.441 1.503 0.521) 1.650 2.817 ( 2.122 -1.599 -3.697) 4.553 4.843 ( 0.218 11.916 0.224) 11.920 5.283 ( -1.157 2.175 1.061) 2.682 5.654 ( 0.394 -8.102 -2.386) 8.456 ======================= Grid point 522 (262/277) ======================= q-point: (-0.08 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -1.847 -0.262 -0.976) 2.105 0.993 ( -1.068 -1.432 -0.004) 1.786 1.013 ( -0.381 -0.275 -3.179) 3.213 1.089 ( 0.231 0.478 -2.724) 2.775 1.617 ( -0.793 -2.431 -0.676) 2.645 1.804 ( -0.008 -3.311 -0.605) 3.366 1.998 ( -0.677 0.181 0.287) 0.757 2.061 ( 0.587 3.722 0.344) 3.784 2.118 ( -0.770 0.998 3.054) 3.304 2.361 ( 0.012 0.752 0.251) 0.793 2.447 ( -0.244 2.234 0.560) 2.316 2.511 ( 1.479 -0.294 -0.845) 1.728 2.542 ( -0.479 0.788 -0.240) 0.953 2.623 ( 0.277 -1.656 0.984) 1.946 2.825 ( 1.249 0.444 -3.636) 3.870 4.671 ( 0.023 6.400 0.046) 6.401 5.254 ( -0.689 0.770 0.910) 1.377 5.757 ( -0.212 -3.587 -1.443) 3.872 ======================= Grid point 530 (263/277) ======================= q-point: (-0.42 -0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -1.923 -0.000 1.561) 2.477 0.636 ( 0.196 0.000 -1.552) 1.564 0.637 ( -3.398 -0.000 6.424) 7.267 0.853 ( 2.383 0.000 -4.126) 4.765 1.066 ( -5.575 -0.000 9.471) 10.990 1.399 ( 1.978 0.000 -6.077) 6.391 1.899 ( 0.205 0.000 -0.253) 0.326 1.981 ( 1.102 0.000 -1.342) 1.736 2.024 ( -0.116 -0.000 0.174) 0.209 2.318 ( -0.146 -0.000 -0.032) 0.150 2.541 ( 0.149 0.000 -0.073) 0.166 2.562 ( 0.485 0.000 -0.508) 0.703 2.667 ( 0.321 0.000 -0.536) 0.625 3.016 ( -2.303 -0.000 1.772) 2.906 3.223 ( 2.531 0.000 2.985) 3.913 4.686 ( 0.034 0.000 -0.052) 0.062 5.477 ( -0.152 -0.000 -2.226) 2.231 5.795 ( 2.798 0.000 2.510) 3.759 ======================= Grid point 531 (264/277) ======================= q-point: (-0.33 -0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( -1.791 -2.239 2.287) 3.668 0.652 ( -0.026 -2.660 -0.186) 2.667 0.722 ( -3.511 -6.777 6.416) 9.971 0.946 ( 2.380 -7.654 -3.160) 8.616 1.098 ( -3.954 -4.862 7.762) 9.977 1.398 ( 1.804 -0.591 -5.091) 5.434 1.958 ( -0.166 -3.886 0.084) 3.890 1.988 ( 1.396 -1.118 -1.441) 2.297 2.083 ( 0.255 -6.725 0.029) 6.730 2.307 ( -0.288 1.057 -0.122) 1.102 2.550 ( 0.483 1.238 -0.643) 1.476 2.557 ( -0.294 -1.906 -0.613) 2.024 2.651 ( 0.256 1.621 -0.816) 1.833 2.937 ( -2.980 6.825 1.153) 7.536 3.156 ( 3.459 8.513 2.857) 9.623 4.840 ( 0.198 -14.488 -0.675) 14.505 5.430 ( -0.824 4.016 -2.010) 4.566 5.734 ( 4.028 8.847 1.966) 9.918 ======================= Grid point 532 (265/277) ======================= q-point: (-0.25 -0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -1.699 -6.668 1.611) 7.067 0.725 ( -0.495 -5.181 -0.149) 5.207 0.835 ( -5.646 -5.081 8.137) 11.131 1.064 ( 3.100 -4.491 -2.944) 6.200 1.283 ( -0.602 -13.001 2.236) 13.206 1.417 ( 1.126 -2.181 -3.267) 4.086 1.983 ( 0.235 -0.429 -0.225) 0.538 2.051 ( 0.425 -3.750 -0.095) 3.775 2.242 ( 0.706 -8.063 -0.441) 8.106 2.275 ( -0.262 2.117 0.240) 2.147 2.522 ( 0.515 1.754 -0.519) 1.900 2.594 ( -1.870 -1.022 -1.678) 2.712 2.624 ( 0.952 -0.733 -0.555) 1.323 2.779 ( -2.987 7.678 0.631) 8.263 2.996 ( 3.746 10.988 2.307) 11.836 5.134 ( -0.915 -15.669 -1.155) 15.738 5.309 ( -0.687 8.332 -0.762) 8.395 5.557 ( 3.729 10.905 0.027) 11.525 ======================= Grid point 533 (266/277) ======================= q-point: (-0.17 -0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -2.123 -7.201 -0.162) 7.510 0.825 ( -1.919 -5.888 0.047) 6.194 0.907 ( -4.989 -3.853 6.029) 8.723 1.122 ( 3.759 -0.861 -6.386) 7.460 1.473 ( -0.103 -4.023 -0.856) 4.114 1.522 ( 0.013 -11.611 -0.342) 11.616 1.991 ( -0.013 -0.389 0.128) 0.410 2.112 ( 0.153 -2.313 1.038) 2.540 2.219 ( -0.025 3.440 -0.171) 3.444 2.355 ( 0.525 -3.127 0.736) 3.255 2.497 ( 0.620 0.880 -0.044) 1.077 2.572 ( -0.957 0.476 -0.636) 1.244 2.637 ( -2.006 4.440 -1.048) 4.983 2.668 ( -1.376 1.251 1.865) 2.634 2.836 ( 4.242 6.456 -1.745) 7.920 5.096 ( 0.375 13.793 0.493) 13.807 5.313 ( -2.757 -0.977 2.028) 3.559 5.487 ( 2.565 -5.962 -4.738) 8.036 ======================= Grid point 534 (267/277) ======================= q-point: (-0.08 -0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -2.822 -3.862 -1.655) 5.061 0.917 ( -2.687 -5.037 0.177) 5.712 0.965 ( -2.976 -3.270 1.194) 4.580 1.105 ( 2.376 1.700 -7.168) 7.740 1.545 ( -0.714 -4.066 -1.117) 4.276 1.700 ( -0.219 -7.548 -0.883) 7.602 1.995 ( -0.429 -0.126 0.266) 0.520 2.136 ( -0.130 0.816 1.884) 2.058 2.149 ( 0.451 3.602 0.865) 3.732 2.380 ( 0.076 0.461 1.348) 1.426 2.495 ( 0.694 0.431 -0.369) 0.896 2.535 ( -0.874 4.430 1.514) 4.763 2.566 ( -0.442 1.101 0.150) 1.196 2.612 ( 0.520 1.516 0.547) 1.693 2.813 ( 1.718 -0.811 -4.695) 5.064 4.848 ( 0.299 12.209 0.370) 12.219 5.277 ( -1.155 1.886 1.132) 2.485 5.639 ( -0.131 -8.096 -3.344) 8.761 ======================= Grid point 543 (268/277) ======================= q-point: (-0.33 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( -1.230 -0.000 4.424) 4.592 0.637 ( 1.044 0.000 -0.092) 1.048 0.644 ( -2.836 -0.000 7.163) 7.704 0.859 ( 2.810 0.000 -3.353) 4.374 1.063 ( -5.784 -0.000 10.154) 11.686 1.388 ( 2.191 0.000 -5.257) 5.695 1.903 ( 0.507 0.000 0.265) 0.572 1.986 ( 1.206 0.000 -1.411) 1.856 2.023 ( -0.181 -0.000 0.048) 0.187 2.314 ( -0.450 -0.000 -0.371) 0.584 2.537 ( -0.468 -0.000 -0.427) 0.634 2.562 ( 0.405 0.000 -0.900) 0.987 2.665 ( 0.320 0.000 -1.227) 1.268 2.992 ( -3.858 -0.000 0.876) 3.956 3.279 ( 5.366 0.000 1.749) 5.644 4.687 ( 0.051 0.000 -0.027) 0.057 5.455 ( -1.613 -0.000 -2.307) 2.815 5.855 ( 6.005 0.000 1.729) 6.249 ======================= Grid point 544 (269/277) ======================= q-point: (-0.25 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( -1.206 -1.555 4.768) 5.158 0.657 ( 0.756 -2.241 0.609) 2.442 0.727 ( -3.078 -5.953 7.225) 9.855 0.956 ( 2.604 -7.734 -2.711) 8.599 1.103 ( -3.801 -5.352 8.025) 10.368 1.391 ( 2.233 -0.619 -4.540) 5.097 1.957 ( -0.197 -3.362 0.284) 3.380 1.995 ( 1.499 -1.306 -1.506) 2.494 2.087 ( 0.532 -7.133 0.123) 7.154 2.301 ( -0.508 0.954 -0.436) 1.166 2.546 ( -0.650 -0.957 -1.025) 1.545 2.551 ( 0.139 0.669 -0.613) 0.917 2.648 ( 0.423 1.471 -1.373) 2.056 2.904 ( -4.270 6.609 0.393) 7.878 3.218 ( 5.204 8.945 2.209) 10.582 4.836 ( 0.092 -14.024 -1.189) 14.074 5.404 ( -2.003 3.593 -1.954) 4.554 5.796 ( 5.810 9.786 1.088) 11.433 ======================= Grid point 545 (270/277) ======================= q-point: (-0.17 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( -1.494 -5.578 2.947) 6.483 0.722 ( 0.099 -4.244 -0.258) 4.253 0.829 ( -4.974 -4.315 8.900) 11.072 1.077 ( 2.705 -4.399 -3.170) 6.059 1.289 ( -0.591 -12.689 1.966) 12.854 1.413 ( 1.420 -2.053 -2.889) 3.818 1.984 ( 0.156 -0.521 0.049) 0.546 2.055 ( 0.589 -3.830 -0.251) 3.883 2.246 ( 0.841 -5.982 -0.892) 6.106 2.275 ( -0.149 -0.149 0.564) 0.602 2.523 ( 0.364 1.510 -0.641) 1.680 2.564 ( -1.839 -0.768 -1.826) 2.703 2.630 ( 0.906 -0.485 -0.708) 1.248 2.747 ( -3.721 7.071 0.534) 8.008 3.050 ( 4.129 11.733 1.720) 12.557 5.116 ( -0.826 -14.991 -1.741) 15.114 5.295 ( -1.343 6.914 -0.644) 7.073 5.595 ( 3.831 12.775 -0.619) 13.351 ======================= Grid point 546 (271/277) ======================= q-point: (-0.08 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -2.433 -5.971 -0.306) 6.455 0.806 ( -1.406 -5.106 -0.621) 5.332 0.893 ( -4.622 -3.176 6.563) 8.633 1.120 ( 3.172 0.035 -6.926) 7.618 1.466 ( 0.197 -3.661 -1.434) 3.937 1.520 ( -0.379 -11.261 -0.094) 11.268 1.992 ( 0.050 -0.234 0.223) 0.327 2.121 ( 0.218 -2.499 1.063) 2.725 2.218 ( 0.111 2.952 -0.258) 2.966 2.366 ( 0.645 -2.972 1.084) 3.229 2.503 ( 0.457 0.600 0.089) 0.759 2.555 ( -1.265 -0.491 -1.136) 1.770 2.614 ( -1.517 4.414 -0.680) 4.717 2.667 ( -0.916 -0.020 1.848) 2.062 2.864 ( 3.278 8.710 -2.196) 9.562 5.104 ( 0.384 13.320 0.713) 13.345 5.299 ( -2.125 -2.032 2.010) 3.562 5.478 ( 1.408 -3.857 -5.554) 6.907 ======================= Grid point 556 (272/277) ======================= q-point: (-0.25 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( -0.332 -0.000 6.292) 6.301 0.655 ( 2.204 0.000 0.383) 2.237 0.659 ( -2.396 -0.000 7.488) 7.862 0.872 ( 3.084 0.000 -2.762) 4.140 1.064 ( -5.613 -0.000 10.832) 12.199 1.385 ( 2.932 0.000 -4.891) 5.702 1.911 ( 0.646 0.000 0.497) 0.815 1.990 ( 1.213 0.000 -1.358) 1.821 2.022 ( -0.101 -0.000 0.129) 0.164 2.305 ( -0.696 -0.000 -0.652) 0.953 2.530 ( -0.574 -0.000 -0.011) 0.574 2.560 ( 0.234 0.000 -1.160) 1.183 2.660 ( 0.285 0.000 -1.704) 1.728 2.947 ( -5.032 -0.000 -0.130) 5.034 3.348 ( 6.289 0.000 0.750) 6.333 4.687 ( 0.062 0.000 -0.009) 0.062 5.418 ( -2.833 -0.000 -2.372) 3.695 5.931 ( 6.925 0.000 0.519) 6.944 ======================= Grid point 557 (273/277) ======================= q-point: (-0.17 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( -0.398 -0.702 6.467) 6.517 0.674 ( 1.824 -1.569 0.524) 2.463 0.740 ( -2.552 -5.343 7.581) 9.620 0.968 ( 2.563 -7.456 -2.512) 8.274 1.111 ( -3.699 -5.604 8.130) 10.544 1.392 ( 3.000 -0.503 -4.517) 5.446 1.957 ( -0.214 -2.921 0.487) 2.970 2.001 ( 1.373 -1.349 -1.552) 2.473 2.095 ( 0.828 -7.591 0.170) 7.638 2.292 ( -0.660 0.796 -0.707) 1.252 2.534 ( -0.712 -0.545 -0.378) 0.973 2.548 ( 0.108 0.821 -0.879) 1.207 2.644 ( 0.351 1.142 -1.585) 1.985 2.856 ( -4.854 6.085 -0.106) 7.785 3.283 ( 5.088 9.396 1.492) 10.789 4.830 ( 0.090 -13.381 -1.358) 13.450 5.367 ( -2.793 2.950 -1.931) 4.497 5.859 ( 5.432 10.823 0.223) 12.112 ======================= Grid point 558 (274/277) ======================= q-point: (-0.08 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -1.024 -3.766 4.168) 5.710 0.724 ( 1.024 -3.032 -0.974) 3.346 0.834 ( -4.160 -3.545 9.546) 11.000 1.083 ( 2.150 -4.007 -3.703) 5.864 1.293 ( -0.807 -12.224 1.956) 12.406 1.413 ( 1.989 -1.758 -3.154) 4.122 1.986 ( 0.073 -0.609 0.411) 0.738 2.060 ( 0.619 -3.993 -0.453) 4.066 2.249 ( 0.608 -2.640 -0.943) 2.869 2.278 ( 0.135 -3.822 0.266) 3.833 2.521 ( -0.152 1.092 -0.685) 1.297 2.539 ( -0.984 -0.021 -1.320) 1.646 2.634 ( 0.693 -0.739 -0.579) 1.167 2.711 ( -3.715 6.273 0.492) 7.307 3.097 ( 3.227 12.711 1.104) 13.160 5.099 ( -0.493 -14.668 -1.763) 14.782 5.275 ( -1.579 5.409 -0.749) 5.684 5.625 ( 2.696 14.828 -0.826) 15.094 ======================= Grid point 569 (275/277) ======================= q-point: (-0.17 -0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 0.213 0.000 6.833) 6.836 0.678 ( -2.189 -0.000 7.333) 7.653 0.685 ( 3.283 0.000 -0.261) 3.294 0.889 ( 3.125 0.000 -2.512) 4.010 1.070 ( -5.356 -0.000 11.162) 12.381 1.392 ( 3.871 0.000 -5.064) 6.374 1.920 ( 0.529 0.000 0.324) 0.620 1.995 ( 1.139 0.000 -1.274) 1.709 2.023 ( 0.165 0.000 0.462) 0.490 2.293 ( -0.825 -0.000 -0.804) 1.152 2.527 ( -0.303 -0.000 0.624) 0.693 2.554 ( 0.020 0.000 -1.179) 1.179 2.652 ( 0.026 0.000 -1.776) 1.776 2.890 ( -5.239 -0.000 -0.530) 5.265 3.412 ( 5.232 0.000 0.232) 5.237 4.688 ( 0.064 0.000 -0.004) 0.064 5.371 ( -3.358 -0.000 -2.165) 3.996 5.997 ( 5.419 0.000 -0.360) 5.431 ======================= Grid point 570 (276/277) ======================= q-point: (-0.08 -0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 0.022 -0.105 6.800) 6.801 0.698 ( 2.663 -0.874 -0.375) 2.828 0.760 ( -2.085 -5.140 7.375) 9.228 0.979 ( 2.316 -6.828 -2.574) 7.656 1.118 ( -3.764 -5.554 7.994) 10.437 1.400 ( 3.841 -0.252 -5.007) 6.316 1.958 ( -0.180 -2.779 0.653) 2.861 2.005 ( 1.036 -1.264 -1.561) 2.260 2.106 ( 0.997 -7.808 0.100) 7.872 2.280 ( -0.697 0.649 -0.832) 1.265 2.528 ( -0.408 0.139 0.203) 0.477 2.544 ( -0.097 0.687 -0.802) 1.061 2.637 ( 0.015 0.733 -1.323) 1.513 2.806 ( -4.357 5.398 -0.061) 6.937 3.335 ( 3.443 9.786 1.019) 10.424 4.823 ( 0.087 -12.780 -1.232) 12.840 5.327 ( -2.713 2.241 -1.598) 3.865 5.906 ( 3.402 11.595 -0.147) 12.085 ======================= Grid point 582 (277/277) ======================= q-point: (-0.08 -0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 1.94e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 0.154 0.000 6.108) 6.110 0.696 ( -2.245 -0.000 6.779) 7.141 0.717 ( 3.827 0.000 -1.689) 4.184 0.906 ( 2.920 0.000 -2.663) 3.952 1.079 ( -5.185 -0.000 10.964) 12.128 1.406 ( 4.690 0.000 -5.733) 7.407 1.925 ( 0.287 0.000 -0.034) 0.289 1.999 ( 0.933 0.000 -1.224) 1.539 2.030 ( 0.410 0.000 0.729) 0.836 2.280 ( -0.757 -0.000 -0.726) 1.049 2.530 ( -0.278 -0.000 1.067) 1.103 2.547 ( -0.126 -0.000 -0.967) 0.975 2.641 ( -0.343 -0.000 -1.357) 1.400 2.838 ( -4.155 -0.000 -0.062) 4.156 3.455 ( 2.648 0.000 0.227) 2.658 4.688 ( 0.058 0.000 -0.013) 0.059 5.328 ( -2.678 -0.000 -1.461) 3.050 6.036 ( 2.556 0.000 -0.440) 2.593 =================== 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 3/18144 10.0 8.001 24.653 19.865 -0.000 -5.619 -0.000 3/18144 20.0 4.194 15.725 10.947 -0.000 -3.733 -0.000 3/18144 30.0 2.741 10.831 7.154 -0.000 -2.523 -0.000 3/18144 40.0 2.029 8.200 5.267 -0.000 -1.870 -0.000 3/18144 50.0 1.612 6.611 4.163 -0.000 -1.476 -0.000 3/18144 60.0 1.339 5.557 3.443 -0.000 -1.216 -0.000 3/18144 70.0 1.146 4.806 2.938 -0.000 -1.033 -0.000 3/18144 80.0 1.002 4.242 2.563 -0.000 -0.897 -0.000 3/18144 90.0 0.891 3.801 2.275 -0.000 -0.793 -0.000 3/18144 100.0 0.802 3.446 2.045 -0.000 -0.711 -0.000 3/18144 110.0 0.730 3.152 1.859 -0.000 -0.644 -0.000 3/18144 120.0 0.670 2.906 1.703 -0.000 -0.588 -0.000 3/18144 130.0 0.619 2.695 1.572 -0.000 -0.542 -0.000 3/18144 140.0 0.575 2.513 1.460 -0.000 -0.502 -0.000 3/18144 150.0 0.537 2.355 1.363 -0.000 -0.468 -0.000 3/18144 160.0 0.504 2.215 1.278 -0.000 -0.438 -0.000 3/18144 170.0 0.474 2.091 1.203 -0.000 -0.411 -0.000 3/18144 180.0 0.448 1.979 1.137 -0.000 -0.388 -0.000 3/18144 190.0 0.425 1.880 1.077 -0.000 -0.367 -0.000 3/18144 200.0 0.404 1.789 1.023 -0.000 -0.349 -0.000 3/18144 210.0 0.385 1.707 0.975 -0.000 -0.332 -0.000 3/18144 220.0 0.368 1.632 0.931 -0.000 -0.317 -0.000 3/18144 230.0 0.352 1.564 0.891 -0.000 -0.303 -0.000 3/18144 240.0 0.337 1.501 0.854 -0.000 -0.290 -0.000 3/18144 250.0 0.324 1.442 0.820 -0.000 -0.278 -0.000 3/18144 260.0 0.311 1.389 0.788 -0.000 -0.267 -0.000 3/18144 270.0 0.300 1.338 0.759 -0.000 -0.257 -0.000 3/18144 280.0 0.289 1.292 0.732 -0.000 -0.248 -0.000 3/18144 290.0 0.279 1.249 0.707 -0.000 -0.239 -0.000 3/18144 300.0 0.270 1.208 0.684 -0.000 -0.231 -0.000 3/18144 310.0 0.262 1.170 0.662 -0.000 -0.224 -0.000 3/18144 320.0 0.253 1.134 0.641 -0.000 -0.217 -0.000 3/18144 330.0 0.246 1.100 0.622 -0.000 -0.210 -0.000 3/18144 340.0 0.239 1.069 0.603 -0.000 -0.204 -0.000 3/18144 350.0 0.232 1.039 0.586 -0.000 -0.198 -0.000 3/18144 360.0 0.225 1.011 0.570 -0.000 -0.193 -0.000 3/18144 370.0 0.219 0.984 0.555 -0.000 -0.187 -0.000 3/18144 380.0 0.214 0.958 0.540 -0.000 -0.182 -0.000 3/18144 390.0 0.208 0.934 0.526 -0.000 -0.178 -0.000 3/18144 400.0 0.203 0.911 0.513 -0.000 -0.173 -0.000 3/18144 410.0 0.198 0.889 0.501 -0.000 -0.169 -0.000 3/18144 420.0 0.193 0.868 0.489 -0.000 -0.165 -0.000 3/18144 430.0 0.189 0.849 0.478 -0.000 -0.161 -0.000 3/18144 440.0 0.185 0.830 0.467 -0.000 -0.157 -0.000 3/18144 450.0 0.181 0.811 0.456 -0.000 -0.154 -0.000 3/18144 460.0 0.177 0.794 0.447 -0.000 -0.151 -0.000 3/18144 470.0 0.173 0.777 0.437 -0.000 -0.147 -0.000 3/18144 480.0 0.169 0.761 0.428 -0.000 -0.144 -0.000 3/18144 490.0 0.166 0.746 0.419 -0.000 -0.141 -0.000 3/18144 500.0 0.163 0.731 0.411 -0.000 -0.138 -0.000 3/18144 510.0 0.159 0.717 0.403 -0.000 -0.136 -0.000 3/18144 520.0 0.156 0.704 0.395 -0.000 -0.133 -0.000 3/18144 530.0 0.153 0.690 0.388 -0.000 -0.131 -0.000 3/18144 540.0 0.151 0.678 0.381 -0.000 -0.128 -0.000 3/18144 550.0 0.148 0.666 0.374 -0.000 -0.126 -0.000 3/18144 560.0 0.145 0.654 0.367 -0.000 -0.124 -0.000 3/18144 570.0 0.143 0.643 0.361 -0.000 -0.121 -0.000 3/18144 580.0 0.140 0.632 0.354 -0.000 -0.119 -0.000 3/18144 590.0 0.138 0.621 0.348 -0.000 -0.117 -0.000 3/18144 600.0 0.136 0.611 0.343 -0.000 -0.115 -0.000 3/18144 610.0 0.133 0.601 0.337 -0.000 -0.113 -0.000 3/18144 620.0 0.131 0.591 0.332 -0.000 -0.112 -0.000 3/18144 630.0 0.129 0.582 0.326 -0.000 -0.110 -0.000 3/18144 640.0 0.127 0.573 0.321 -0.000 -0.108 -0.000 3/18144 650.0 0.125 0.564 0.316 -0.000 -0.106 -0.000 3/18144 660.0 0.123 0.556 0.312 -0.000 -0.105 -0.000 3/18144 670.0 0.121 0.547 0.307 -0.000 -0.103 -0.000 3/18144 680.0 0.120 0.539 0.302 -0.000 -0.102 -0.000 3/18144 690.0 0.118 0.532 0.298 -0.000 -0.100 -0.000 3/18144 700.0 0.116 0.524 0.294 -0.000 -0.099 -0.000 3/18144 710.0 0.115 0.517 0.290 -0.000 -0.097 -0.000 3/18144 720.0 0.113 0.510 0.286 -0.000 -0.096 -0.000 3/18144 730.0 0.111 0.503 0.282 -0.000 -0.095 -0.000 3/18144 740.0 0.110 0.496 0.278 -0.000 -0.093 -0.000 3/18144 750.0 0.109 0.490 0.274 -0.000 -0.092 -0.000 3/18144 760.0 0.107 0.483 0.271 -0.000 -0.091 -0.000 3/18144 770.0 0.106 0.477 0.267 -0.000 -0.090 -0.000 3/18144 780.0 0.104 0.471 0.264 -0.000 -0.089 -0.000 3/18144 790.0 0.103 0.465 0.260 -0.000 -0.088 -0.000 3/18144 800.0 0.102 0.459 0.257 -0.000 -0.086 -0.000 3/18144 810.0 0.101 0.454 0.254 -0.000 -0.085 -0.000 3/18144 820.0 0.099 0.448 0.251 -0.000 -0.084 -0.000 3/18144 830.0 0.098 0.443 0.248 -0.000 -0.083 -0.000 3/18144 840.0 0.097 0.437 0.245 -0.000 -0.082 -0.000 3/18144 850.0 0.096 0.432 0.242 -0.000 -0.081 -0.000 3/18144 860.0 0.095 0.427 0.239 -0.000 -0.080 -0.000 3/18144 870.0 0.094 0.422 0.236 -0.000 -0.080 -0.000 3/18144 880.0 0.093 0.418 0.234 -0.000 -0.079 -0.000 3/18144 890.0 0.091 0.413 0.231 -0.000 -0.078 -0.000 3/18144 900.0 0.090 0.408 0.229 -0.000 -0.077 -0.000 3/18144 910.0 0.089 0.404 0.226 -0.000 -0.076 -0.000 3/18144 920.0 0.089 0.400 0.224 -0.000 -0.075 -0.000 3/18144 930.0 0.088 0.395 0.221 -0.000 -0.074 -0.000 3/18144 940.0 0.087 0.391 0.219 -0.000 -0.074 -0.000 3/18144 950.0 0.086 0.387 0.217 -0.000 -0.073 -0.000 3/18144 960.0 0.085 0.383 0.214 -0.000 -0.072 -0.000 3/18144 970.0 0.084 0.379 0.212 -0.000 -0.071 -0.000 3/18144 980.0 0.083 0.375 0.210 -0.000 -0.071 -0.000 3/18144 990.0 0.082 0.372 0.208 -0.000 -0.070 -0.000 3/18144 1000.0 0.081 0.368 0.206 -0.000 -0.069 -0.000 3/18144 Thermal conductivity related properties were written into "kappa-m12127.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:10:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|