----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:43:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.481120805000185 -2.189084814999999 0.000000000000000 b 3.481120805000185 2.189084814999999 0.000000000000000 c -2.346987845174919 0.000000000000000 7.376831734778111 Atomic positions (fractional): *1 C 0.86995729871919 0.57729537042567 0.44099093041338 12.011 2 C 0.42270462957433 0.13004270128081 0.05900906958662 12.011 3 C 0.57729537042567 0.86995729871918 0.94099093041338 12.011 4 C 0.13004270128082 0.42270462957433 0.55900906958662 12.011 *5 Sr 0.17481945713975 0.82518054286025 0.25000000000000 87.620 6 Sr 0.82518054286025 0.17481945713975 0.75000000000000 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.962241610000370 0.000000000000000 0.000000000000000 b 0.000000000000000 4.378169629999999 0.000000000000000 c -2.346987845174919 0.000000000000000 7.376831734778111 Atomic positions (fractional): *1 C 0.22362633457243 0.35366903585324 0.44099093041338 12.011 > 1 2 C 0.77637366542757 0.35366903585324 0.05900906958662 12.011 > 2 3 C 0.22362633457243 0.64633096414676 0.94099093041338 12.011 > 3 4 C 0.77637366542757 0.64633096414676 0.55900906958662 12.011 > 4 5 C 0.72362633457243 0.85366903585324 0.44099093041338 12.011 > 1 6 C 0.27637366542757 0.85366903585324 0.05900906958662 12.011 > 2 7 C 0.72362633457243 0.14633096414676 0.94099093041338 12.011 > 3 8 C 0.27637366542757 0.14633096414676 0.55900906958662 12.011 > 4 *9 Sr 0.00000000000000 0.82518054286025 0.25000000000000 87.620 > 5 10 Sr 0.00000000000000 0.17481945713975 0.75000000000000 87.620 > 6 11 Sr 0.50000000000000 0.32518054286025 0.25000000000000 87.620 > 5 12 Sr 0.50000000000000 0.67481945713975 0.75000000000000 87.620 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.924483220000740 0.000000000000000 0.000000000000000 b 0.000000000000000 13.134508889999996 0.000000000000000 c -4.693975690349838 0.000000000000000 14.753663469556223 Atomic positions (fractional): *1 C 0.11181316728621 0.11788967861775 0.22049546520669 12.011 > 1 2 C 0.61181316728621 0.11788967861775 0.22049546520669 12.011 > 1 3 C 0.11181316728621 0.45122301195108 0.22049546520669 12.011 > 1 4 C 0.61181316728621 0.45122301195108 0.22049546520669 12.011 > 1 5 C 0.11181316728621 0.78455634528441 0.22049546520669 12.011 > 1 6 C 0.61181316728621 0.78455634528441 0.22049546520669 12.011 > 1 7 C 0.11181316728621 0.11788967861775 0.72049546520669 12.011 > 1 8 C 0.61181316728621 0.11788967861775 0.72049546520669 12.011 > 1 9 C 0.11181316728621 0.45122301195108 0.72049546520669 12.011 > 1 10 C 0.61181316728621 0.45122301195108 0.72049546520669 12.011 > 1 11 C 0.11181316728621 0.78455634528441 0.72049546520669 12.011 > 1 12 C 0.61181316728621 0.78455634528441 0.72049546520669 12.011 > 1 13 C 0.38818683271379 0.11788967861775 0.02950453479331 12.011 > 2 14 C 0.88818683271379 0.11788967861775 0.02950453479331 12.011 > 2 15 C 0.38818683271379 0.45122301195108 0.02950453479331 12.011 > 2 16 C 0.88818683271379 0.45122301195108 0.02950453479331 12.011 > 2 17 C 0.38818683271379 0.78455634528441 0.02950453479331 12.011 > 2 18 C 0.88818683271379 0.78455634528441 0.02950453479331 12.011 > 2 19 C 0.38818683271379 0.11788967861775 0.52950453479331 12.011 > 2 20 C 0.88818683271379 0.11788967861775 0.52950453479331 12.011 > 2 21 C 0.38818683271379 0.45122301195108 0.52950453479331 12.011 > 2 22 C 0.88818683271379 0.45122301195108 0.52950453479331 12.011 > 2 23 C 0.38818683271379 0.78455634528441 0.52950453479331 12.011 > 2 24 C 0.88818683271379 0.78455634528441 0.52950453479331 12.011 > 2 25 C 0.11181316728621 0.21544365471559 0.47049546520669 12.011 > 3 26 C 0.61181316728621 0.21544365471559 0.47049546520669 12.011 > 3 27 C 0.11181316728621 0.54877698804892 0.47049546520669 12.011 > 3 28 C 0.61181316728621 0.54877698804892 0.47049546520669 12.011 > 3 29 C 0.11181316728621 0.88211032138225 0.47049546520669 12.011 > 3 30 C 0.61181316728621 0.88211032138225 0.47049546520669 12.011 > 3 31 C 0.11181316728621 0.21544365471559 0.97049546520669 12.011 > 3 32 C 0.61181316728621 0.21544365471559 0.97049546520669 12.011 > 3 33 C 0.11181316728621 0.54877698804892 0.97049546520669 12.011 > 3 34 C 0.61181316728621 0.54877698804892 0.97049546520669 12.011 > 3 35 C 0.11181316728621 0.88211032138225 0.97049546520669 12.011 > 3 36 C 0.61181316728621 0.88211032138225 0.97049546520669 12.011 > 3 37 C 0.38818683271379 0.21544365471559 0.27950453479331 12.011 > 4 38 C 0.88818683271379 0.21544365471559 0.27950453479331 12.011 > 4 39 C 0.38818683271379 0.54877698804892 0.27950453479331 12.011 > 4 40 C 0.88818683271379 0.54877698804892 0.27950453479331 12.011 > 4 41 C 0.38818683271379 0.88211032138225 0.27950453479331 12.011 > 4 42 C 0.88818683271379 0.88211032138225 0.27950453479331 12.011 > 4 43 C 0.38818683271379 0.21544365471559 0.77950453479331 12.011 > 4 44 C 0.88818683271379 0.21544365471559 0.77950453479331 12.011 > 4 45 C 0.38818683271379 0.54877698804892 0.77950453479331 12.011 > 4 46 C 0.88818683271379 0.54877698804892 0.77950453479331 12.011 > 4 47 C 0.38818683271379 0.88211032138225 0.77950453479331 12.011 > 4 48 C 0.88818683271379 0.88211032138225 0.77950453479331 12.011 > 4 49 C 0.36181316728621 0.28455634528441 0.22049546520669 12.011 > 1 50 C 0.86181316728621 0.28455634528441 0.22049546520669 12.011 > 1 51 C 0.36181316728621 0.61788967861775 0.22049546520669 12.011 > 1 52 C 0.86181316728621 0.61788967861775 0.22049546520669 12.011 > 1 53 C 0.36181316728621 0.95122301195108 0.22049546520669 12.011 > 1 54 C 0.86181316728621 0.95122301195108 0.22049546520669 12.011 > 1 55 C 0.36181316728621 0.28455634528441 0.72049546520669 12.011 > 1 56 C 0.86181316728621 0.28455634528441 0.72049546520669 12.011 > 1 57 C 0.36181316728621 0.61788967861775 0.72049546520669 12.011 > 1 58 C 0.86181316728621 0.61788967861775 0.72049546520669 12.011 > 1 59 C 0.36181316728621 0.95122301195108 0.72049546520669 12.011 > 1 60 C 0.86181316728621 0.95122301195108 0.72049546520669 12.011 > 1 61 C 0.13818683271379 0.28455634528441 0.02950453479331 12.011 > 2 62 C 0.63818683271379 0.28455634528441 0.02950453479331 12.011 > 2 63 C 0.13818683271379 0.61788967861775 0.02950453479331 12.011 > 2 64 C 0.63818683271379 0.61788967861775 0.02950453479331 12.011 > 2 65 C 0.13818683271379 0.95122301195108 0.02950453479331 12.011 > 2 66 C 0.63818683271379 0.95122301195108 0.02950453479331 12.011 > 2 67 C 0.13818683271379 0.28455634528441 0.52950453479331 12.011 > 2 68 C 0.63818683271379 0.28455634528441 0.52950453479331 12.011 > 2 69 C 0.13818683271379 0.61788967861775 0.52950453479331 12.011 > 2 70 C 0.63818683271379 0.61788967861775 0.52950453479331 12.011 > 2 71 C 0.13818683271379 0.95122301195108 0.52950453479331 12.011 > 2 72 C 0.63818683271379 0.95122301195108 0.52950453479331 12.011 > 2 73 C 0.36181316728621 0.04877698804892 0.47049546520669 12.011 > 3 74 C 0.86181316728621 0.04877698804892 0.47049546520669 12.011 > 3 75 C 0.36181316728621 0.38211032138225 0.47049546520669 12.011 > 3 76 C 0.86181316728621 0.38211032138225 0.47049546520669 12.011 > 3 77 C 0.36181316728621 0.71544365471559 0.47049546520669 12.011 > 3 78 C 0.86181316728621 0.71544365471559 0.47049546520669 12.011 > 3 79 C 0.36181316728621 0.04877698804892 0.97049546520669 12.011 > 3 80 C 0.86181316728621 0.04877698804892 0.97049546520669 12.011 > 3 81 C 0.36181316728621 0.38211032138225 0.97049546520669 12.011 > 3 82 C 0.86181316728621 0.38211032138225 0.97049546520669 12.011 > 3 83 C 0.36181316728621 0.71544365471559 0.97049546520669 12.011 > 3 84 C 0.86181316728621 0.71544365471559 0.97049546520669 12.011 > 3 85 C 0.13818683271379 0.04877698804892 0.27950453479331 12.011 > 4 86 C 0.63818683271379 0.04877698804892 0.27950453479331 12.011 > 4 87 C 0.13818683271379 0.38211032138225 0.27950453479331 12.011 > 4 88 C 0.63818683271379 0.38211032138225 0.27950453479331 12.011 > 4 89 C 0.13818683271379 0.71544365471559 0.27950453479331 12.011 > 4 90 C 0.63818683271379 0.71544365471559 0.27950453479331 12.011 > 4 91 C 0.13818683271379 0.04877698804892 0.77950453479331 12.011 > 4 92 C 0.63818683271379 0.04877698804892 0.77950453479331 12.011 > 4 93 C 0.13818683271379 0.38211032138225 0.77950453479331 12.011 > 4 94 C 0.63818683271379 0.38211032138225 0.77950453479331 12.011 > 4 95 C 0.13818683271379 0.71544365471559 0.77950453479331 12.011 > 4 96 C 0.63818683271379 0.71544365471559 0.77950453479331 12.011 > 4 *97 Sr 0.00000000000000 0.27506018095342 0.12500000000000 87.620 > 5 98 Sr 0.50000000000000 0.27506018095342 0.12500000000000 87.620 > 5 99 Sr 0.00000000000000 0.60839351428675 0.12500000000000 87.620 > 5 100 Sr 0.50000000000000 0.60839351428675 0.12500000000000 87.620 > 5 101 Sr 0.00000000000000 0.94172684762008 0.12500000000000 87.620 > 5 102 Sr 0.50000000000000 0.94172684762008 0.12500000000000 87.620 > 5 103 Sr 0.00000000000000 0.27506018095342 0.62500000000000 87.620 > 5 104 Sr 0.50000000000000 0.27506018095342 0.62500000000000 87.620 > 5 105 Sr 0.00000000000000 0.60839351428675 0.62500000000000 87.620 > 5 106 Sr 0.50000000000000 0.60839351428675 0.62500000000000 87.620 > 5 107 Sr 0.00000000000000 0.94172684762008 0.62500000000000 87.620 > 5 108 Sr 0.50000000000000 0.94172684762008 0.62500000000000 87.620 > 5 109 Sr 0.00000000000000 0.05827315237992 0.37500000000000 87.620 > 6 110 Sr 0.50000000000000 0.05827315237992 0.37500000000000 87.620 > 6 111 Sr 0.00000000000000 0.39160648571325 0.37500000000000 87.620 > 6 112 Sr 0.50000000000000 0.39160648571325 0.37500000000000 87.620 > 6 113 Sr 0.00000000000000 0.72493981904658 0.37500000000000 87.620 > 6 114 Sr 0.50000000000000 0.72493981904658 0.37500000000000 87.620 > 6 115 Sr 0.00000000000000 0.05827315237992 0.87500000000000 87.620 > 6 116 Sr 0.50000000000000 0.05827315237992 0.87500000000000 87.620 > 6 117 Sr 0.00000000000000 0.39160648571325 0.87500000000000 87.620 > 6 118 Sr 0.50000000000000 0.39160648571325 0.87500000000000 87.620 > 6 119 Sr 0.00000000000000 0.72493981904658 0.87500000000000 87.620 > 6 120 Sr 0.50000000000000 0.72493981904658 0.87500000000000 87.620 > 6 121 Sr 0.25000000000000 0.10839351428675 0.12500000000000 87.620 > 5 122 Sr 0.75000000000000 0.10839351428675 0.12500000000000 87.620 > 5 123 Sr 0.25000000000000 0.44172684762008 0.12500000000000 87.620 > 5 124 Sr 0.75000000000000 0.44172684762008 0.12500000000000 87.620 > 5 125 Sr 0.25000000000000 0.77506018095342 0.12500000000000 87.620 > 5 126 Sr 0.75000000000000 0.77506018095342 0.12500000000000 87.620 > 5 127 Sr 0.25000000000000 0.10839351428675 0.62500000000000 87.620 > 5 128 Sr 0.75000000000000 0.10839351428675 0.62500000000000 87.620 > 5 129 Sr 0.25000000000000 0.44172684762008 0.62500000000000 87.620 > 5 130 Sr 0.75000000000000 0.44172684762008 0.62500000000000 87.620 > 5 131 Sr 0.25000000000000 0.77506018095342 0.62500000000000 87.620 > 5 132 Sr 0.75000000000000 0.77506018095342 0.62500000000000 87.620 > 5 133 Sr 0.25000000000000 0.22493981904658 0.37500000000000 87.620 > 6 134 Sr 0.75000000000000 0.22493981904658 0.37500000000000 87.620 > 6 135 Sr 0.25000000000000 0.55827315237992 0.37500000000000 87.620 > 6 136 Sr 0.75000000000000 0.55827315237992 0.37500000000000 87.620 > 6 137 Sr 0.25000000000000 0.89160648571325 0.37500000000000 87.620 > 6 138 Sr 0.75000000000000 0.89160648571325 0.37500000000000 87.620 > 6 139 Sr 0.25000000000000 0.22493981904658 0.87500000000000 87.620 > 6 140 Sr 0.75000000000000 0.22493981904658 0.87500000000000 87.620 > 6 141 Sr 0.25000000000000 0.55827315237992 0.87500000000000 87.620 > 6 142 Sr 0.75000000000000 0.55827315237992 0.87500000000000 87.620 > 6 143 Sr 0.25000000000000 0.89160648571325 0.87500000000000 87.620 > 6 144 Sr 0.75000000000000 0.89160648571325 0.87500000000000 87.620 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4853432 0.0000000 0.0197434 0.0000000 3.8136579 0.0000000 0.0197427 0.0000000 3.8113369 -------------------------- Born effective charges -------------------------- 1 C -1.1743163 -0.0060570 -0.0206865 -0.0396224 -1.1607474 -0.1124481 0.0190515 -0.0134231 -1.1749831 2 C -1.1743163 0.0060570 -0.0206865 0.0396224 -1.1607474 0.1124481 0.0190515 0.0134231 -1.1749831 3 C -1.1743163 0.0060570 -0.0206865 0.0396224 -1.1607474 0.1124481 0.0190515 0.0134231 -1.1749831 4 C -1.1743163 -0.0060570 -0.0206865 -0.0396224 -1.1607474 -0.1124481 0.0190515 -0.0134231 -1.1749831 5 Sr 2.3486326 0.0000000 0.0413729 0.0000000 2.3214948 0.0000000 -0.0381030 0.0000000 2.3499662 6 Sr 2.3486326 0.0000000 0.0413729 0.0000000 2.3214948 0.0000000 -0.0381030 0.0000000 2.3499662 ---------------------------------------------------------------------------- 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: 5256/5256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1056 Number of blocks in projector: 1056 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: 222 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (1056, 1043), data: False |-- (138, 136), data: True |-- (138, 136), data: True |-- (138, 136), data: True |-- (210, 208), data: True |-- (210, 208), data: True |-- (222, 219), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.327 Solver_block: 200 / 240 - Time: 0.340 Solver_block: 240 / 240 - Time: 0.178 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.863 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 5256/5256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1056 Number of blocks in projector: 1056 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: 222 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (1056, 1043), data: False |-- (138, 136), data: True |-- (138, 136), data: True |-- (138, 136), data: True |-- (210, 208), data: True |-- (210, 208), data: True |-- (222, 219), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zy) 0.00000000 (zy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:43:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:43:46]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.481120805000185 -2.189084814999999 0.000000000000000 b 3.481120805000185 2.189084814999999 0.000000000000000 c -2.346987845174919 0.000000000000000 7.376831734778111 Atomic positions (fractional): 1 C 0.86995729871919 0.57729537042567 0.44099093041338 12.011 2 C 0.42270462957433 0.13004270128081 0.05900906958662 12.011 3 C 0.57729537042567 0.86995729871918 0.94099093041338 12.011 4 C 0.13004270128082 0.42270462957433 0.55900906958662 12.011 5 Sr 0.17481945713975 0.82518054286025 0.25000000000000 87.620 6 Sr 0.82518054286025 0.17481945713975 0.75000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.924483220000740 0.000000000000000 0.000000000000000 b 0.000000000000000 13.134508889999996 0.000000000000000 c -4.693975690349838 0.000000000000000 14.753663469556223 Atomic positions (fractional): 1 C 0.11181316728621 0.11788967861775 0.22049546520669 12.011 > 1 2 C 0.61181316728621 0.11788967861775 0.22049546520669 12.011 > 1 3 C 0.11181316728621 0.45122301195108 0.22049546520669 12.011 > 1 4 C 0.61181316728621 0.45122301195108 0.22049546520669 12.011 > 1 5 C 0.11181316728621 0.78455634528441 0.22049546520669 12.011 > 1 6 C 0.61181316728621 0.78455634528441 0.22049546520669 12.011 > 1 7 C 0.11181316728621 0.11788967861775 0.72049546520669 12.011 > 1 8 C 0.61181316728621 0.11788967861775 0.72049546520669 12.011 > 1 9 C 0.11181316728621 0.45122301195108 0.72049546520669 12.011 > 1 10 C 0.61181316728621 0.45122301195108 0.72049546520669 12.011 > 1 11 C 0.11181316728621 0.78455634528441 0.72049546520669 12.011 > 1 12 C 0.61181316728621 0.78455634528441 0.72049546520669 12.011 > 1 13 C 0.38818683271379 0.11788967861775 0.02950453479331 12.011 > 13 14 C 0.88818683271379 0.11788967861775 0.02950453479331 12.011 > 13 15 C 0.38818683271379 0.45122301195108 0.02950453479331 12.011 > 13 16 C 0.88818683271379 0.45122301195108 0.02950453479331 12.011 > 13 17 C 0.38818683271379 0.78455634528441 0.02950453479331 12.011 > 13 18 C 0.88818683271379 0.78455634528441 0.02950453479331 12.011 > 13 19 C 0.38818683271379 0.11788967861775 0.52950453479331 12.011 > 13 20 C 0.88818683271379 0.11788967861775 0.52950453479331 12.011 > 13 21 C 0.38818683271379 0.45122301195108 0.52950453479331 12.011 > 13 22 C 0.88818683271379 0.45122301195108 0.52950453479331 12.011 > 13 23 C 0.38818683271379 0.78455634528441 0.52950453479331 12.011 > 13 24 C 0.88818683271379 0.78455634528441 0.52950453479331 12.011 > 13 25 C 0.11181316728621 0.21544365471559 0.47049546520669 12.011 > 25 26 C 0.61181316728621 0.21544365471559 0.47049546520669 12.011 > 25 27 C 0.11181316728621 0.54877698804892 0.47049546520669 12.011 > 25 28 C 0.61181316728621 0.54877698804892 0.47049546520669 12.011 > 25 29 C 0.11181316728621 0.88211032138225 0.47049546520669 12.011 > 25 30 C 0.61181316728621 0.88211032138225 0.47049546520669 12.011 > 25 31 C 0.11181316728621 0.21544365471559 0.97049546520669 12.011 > 25 32 C 0.61181316728621 0.21544365471559 0.97049546520669 12.011 > 25 33 C 0.11181316728621 0.54877698804892 0.97049546520669 12.011 > 25 34 C 0.61181316728621 0.54877698804892 0.97049546520669 12.011 > 25 35 C 0.11181316728621 0.88211032138225 0.97049546520669 12.011 > 25 36 C 0.61181316728621 0.88211032138225 0.97049546520669 12.011 > 25 37 C 0.38818683271379 0.21544365471559 0.27950453479331 12.011 > 37 38 C 0.88818683271379 0.21544365471559 0.27950453479331 12.011 > 37 39 C 0.38818683271379 0.54877698804892 0.27950453479331 12.011 > 37 40 C 0.88818683271379 0.54877698804892 0.27950453479331 12.011 > 37 41 C 0.38818683271379 0.88211032138225 0.27950453479331 12.011 > 37 42 C 0.88818683271379 0.88211032138225 0.27950453479331 12.011 > 37 43 C 0.38818683271379 0.21544365471559 0.77950453479331 12.011 > 37 44 C 0.88818683271379 0.21544365471559 0.77950453479331 12.011 > 37 45 C 0.38818683271379 0.54877698804892 0.77950453479331 12.011 > 37 46 C 0.88818683271379 0.54877698804892 0.77950453479331 12.011 > 37 47 C 0.38818683271379 0.88211032138225 0.77950453479331 12.011 > 37 48 C 0.88818683271379 0.88211032138225 0.77950453479331 12.011 > 37 49 C 0.36181316728621 0.28455634528441 0.22049546520669 12.011 > 1 50 C 0.86181316728621 0.28455634528441 0.22049546520669 12.011 > 1 51 C 0.36181316728621 0.61788967861775 0.22049546520669 12.011 > 1 52 C 0.86181316728621 0.61788967861775 0.22049546520669 12.011 > 1 53 C 0.36181316728621 0.95122301195108 0.22049546520669 12.011 > 1 54 C 0.86181316728621 0.95122301195108 0.22049546520669 12.011 > 1 55 C 0.36181316728621 0.28455634528441 0.72049546520669 12.011 > 1 56 C 0.86181316728621 0.28455634528441 0.72049546520669 12.011 > 1 57 C 0.36181316728621 0.61788967861775 0.72049546520669 12.011 > 1 58 C 0.86181316728621 0.61788967861775 0.72049546520669 12.011 > 1 59 C 0.36181316728621 0.95122301195108 0.72049546520669 12.011 > 1 60 C 0.86181316728621 0.95122301195108 0.72049546520669 12.011 > 1 61 C 0.13818683271379 0.28455634528441 0.02950453479331 12.011 > 13 62 C 0.63818683271379 0.28455634528441 0.02950453479331 12.011 > 13 63 C 0.13818683271379 0.61788967861775 0.02950453479331 12.011 > 13 64 C 0.63818683271379 0.61788967861775 0.02950453479331 12.011 > 13 65 C 0.13818683271379 0.95122301195108 0.02950453479331 12.011 > 13 66 C 0.63818683271379 0.95122301195108 0.02950453479331 12.011 > 13 67 C 0.13818683271379 0.28455634528441 0.52950453479331 12.011 > 13 68 C 0.63818683271379 0.28455634528441 0.52950453479331 12.011 > 13 69 C 0.13818683271379 0.61788967861775 0.52950453479331 12.011 > 13 70 C 0.63818683271379 0.61788967861775 0.52950453479331 12.011 > 13 71 C 0.13818683271379 0.95122301195108 0.52950453479331 12.011 > 13 72 C 0.63818683271379 0.95122301195108 0.52950453479331 12.011 > 13 73 C 0.36181316728621 0.04877698804892 0.47049546520669 12.011 > 25 74 C 0.86181316728621 0.04877698804892 0.47049546520669 12.011 > 25 75 C 0.36181316728621 0.38211032138225 0.47049546520669 12.011 > 25 76 C 0.86181316728621 0.38211032138225 0.47049546520669 12.011 > 25 77 C 0.36181316728621 0.71544365471559 0.47049546520669 12.011 > 25 78 C 0.86181316728621 0.71544365471559 0.47049546520669 12.011 > 25 79 C 0.36181316728621 0.04877698804892 0.97049546520669 12.011 > 25 80 C 0.86181316728621 0.04877698804892 0.97049546520669 12.011 > 25 81 C 0.36181316728621 0.38211032138225 0.97049546520669 12.011 > 25 82 C 0.86181316728621 0.38211032138225 0.97049546520669 12.011 > 25 83 C 0.36181316728621 0.71544365471559 0.97049546520669 12.011 > 25 84 C 0.86181316728621 0.71544365471559 0.97049546520669 12.011 > 25 85 C 0.13818683271379 0.04877698804892 0.27950453479331 12.011 > 37 86 C 0.63818683271379 0.04877698804892 0.27950453479331 12.011 > 37 87 C 0.13818683271379 0.38211032138225 0.27950453479331 12.011 > 37 88 C 0.63818683271379 0.38211032138225 0.27950453479331 12.011 > 37 89 C 0.13818683271379 0.71544365471559 0.27950453479331 12.011 > 37 90 C 0.63818683271379 0.71544365471559 0.27950453479331 12.011 > 37 91 C 0.13818683271379 0.04877698804892 0.77950453479331 12.011 > 37 92 C 0.63818683271379 0.04877698804892 0.77950453479331 12.011 > 37 93 C 0.13818683271379 0.38211032138225 0.77950453479331 12.011 > 37 94 C 0.63818683271379 0.38211032138225 0.77950453479331 12.011 > 37 95 C 0.13818683271379 0.71544365471559 0.77950453479331 12.011 > 37 96 C 0.63818683271379 0.71544365471559 0.77950453479331 12.011 > 37 97 Sr 0.00000000000000 0.27506018095342 0.12500000000000 87.620 > 97 98 Sr 0.50000000000000 0.27506018095342 0.12500000000000 87.620 > 97 99 Sr 0.00000000000000 0.60839351428675 0.12500000000000 87.620 > 97 100 Sr 0.50000000000000 0.60839351428675 0.12500000000000 87.620 > 97 101 Sr 0.00000000000000 0.94172684762008 0.12500000000000 87.620 > 97 102 Sr 0.50000000000000 0.94172684762008 0.12500000000000 87.620 > 97 103 Sr 0.00000000000000 0.27506018095342 0.62500000000000 87.620 > 97 104 Sr 0.50000000000000 0.27506018095342 0.62500000000000 87.620 > 97 105 Sr 0.00000000000000 0.60839351428675 0.62500000000000 87.620 > 97 106 Sr 0.50000000000000 0.60839351428675 0.62500000000000 87.620 > 97 107 Sr 0.00000000000000 0.94172684762008 0.62500000000000 87.620 > 97 108 Sr 0.50000000000000 0.94172684762008 0.62500000000000 87.620 > 97 109 Sr 0.00000000000000 0.05827315237992 0.37500000000000 87.620 > 109 110 Sr 0.50000000000000 0.05827315237992 0.37500000000000 87.620 > 109 111 Sr 0.00000000000000 0.39160648571325 0.37500000000000 87.620 > 109 112 Sr 0.50000000000000 0.39160648571325 0.37500000000000 87.620 > 109 113 Sr 0.00000000000000 0.72493981904658 0.37500000000000 87.620 > 109 114 Sr 0.50000000000000 0.72493981904658 0.37500000000000 87.620 > 109 115 Sr 0.00000000000000 0.05827315237992 0.87500000000000 87.620 > 109 116 Sr 0.50000000000000 0.05827315237992 0.87500000000000 87.620 > 109 117 Sr 0.00000000000000 0.39160648571325 0.87500000000000 87.620 > 109 118 Sr 0.50000000000000 0.39160648571325 0.87500000000000 87.620 > 109 119 Sr 0.00000000000000 0.72493981904658 0.87500000000000 87.620 > 109 120 Sr 0.50000000000000 0.72493981904658 0.87500000000000 87.620 > 109 121 Sr 0.25000000000000 0.10839351428675 0.12500000000000 87.620 > 97 122 Sr 0.75000000000000 0.10839351428675 0.12500000000000 87.620 > 97 123 Sr 0.25000000000000 0.44172684762008 0.12500000000000 87.620 > 97 124 Sr 0.75000000000000 0.44172684762008 0.12500000000000 87.620 > 97 125 Sr 0.25000000000000 0.77506018095342 0.12500000000000 87.620 > 97 126 Sr 0.75000000000000 0.77506018095342 0.12500000000000 87.620 > 97 127 Sr 0.25000000000000 0.10839351428675 0.62500000000000 87.620 > 97 128 Sr 0.75000000000000 0.10839351428675 0.62500000000000 87.620 > 97 129 Sr 0.25000000000000 0.44172684762008 0.62500000000000 87.620 > 97 130 Sr 0.75000000000000 0.44172684762008 0.62500000000000 87.620 > 97 131 Sr 0.25000000000000 0.77506018095342 0.62500000000000 87.620 > 97 132 Sr 0.75000000000000 0.77506018095342 0.62500000000000 87.620 > 97 133 Sr 0.25000000000000 0.22493981904658 0.37500000000000 87.620 > 109 134 Sr 0.75000000000000 0.22493981904658 0.37500000000000 87.620 > 109 135 Sr 0.25000000000000 0.55827315237992 0.37500000000000 87.620 > 109 136 Sr 0.75000000000000 0.55827315237992 0.37500000000000 87.620 > 109 137 Sr 0.25000000000000 0.89160648571325 0.37500000000000 87.620 > 109 138 Sr 0.75000000000000 0.89160648571325 0.37500000000000 87.620 > 109 139 Sr 0.25000000000000 0.22493981904658 0.87500000000000 87.620 > 109 140 Sr 0.75000000000000 0.22493981904658 0.87500000000000 87.620 > 109 141 Sr 0.25000000000000 0.55827315237992 0.87500000000000 87.620 > 109 142 Sr 0.75000000000000 0.55827315237992 0.87500000000000 87.620 > 109 143 Sr 0.25000000000000 0.89160648571325 0.87500000000000 87.620 > 109 144 Sr 0.75000000000000 0.89160648571325 0.87500000000000 87.620 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4853432 0.0000000 0.0197434 0.0000000 3.8136579 0.0000000 0.0197427 0.0000000 3.8113369 -------------------------- Born effective charges -------------------------- 1 C -1.1743163 -0.0060570 -0.0206865 -0.0396224 -1.1607474 -0.1124481 0.0190515 -0.0134231 -1.1749831 2 C -1.1743163 0.0060570 -0.0206865 0.0396224 -1.1607474 0.1124481 0.0190515 0.0134231 -1.1749831 3 C -1.1743163 0.0060570 -0.0206865 0.0396224 -1.1607474 0.1124481 0.0190515 0.0134231 -1.1749831 4 C -1.1743163 -0.0060570 -0.0206865 -0.0396224 -1.1607474 -0.1124481 0.0190515 -0.0134231 -1.1749831 5 Sr 2.3486326 0.0000000 0.0413729 0.0000000 2.3214948 0.0000000 -0.0381030 0.0000000 2.3499662 6 Sr 2.3486326 0.0000000 0.0413729 0.0000000 2.3214948 0.0000000 -0.0381030 0.0000000 2.3499662 ---------------------------------------------------------------------------- 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:43:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:43:56]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.481120805000185 -2.189084814999999 0.000000000000000 b 3.481120805000185 2.189084814999999 0.000000000000000 c -2.346987845174919 0.000000000000000 7.376831734778111 Atomic positions (fractional): 1 C 0.86995729871919 0.57729537042567 0.44099093041338 12.011 2 C 0.42270462957433 0.13004270128081 0.05900906958662 12.011 3 C 0.57729537042567 0.86995729871918 0.94099093041338 12.011 4 C 0.13004270128082 0.42270462957433 0.55900906958662 12.011 5 Sr 0.17481945713975 0.82518054286025 0.25000000000000 87.620 6 Sr 0.82518054286025 0.17481945713975 0.75000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.924483220000740 0.000000000000000 0.000000000000000 b 0.000000000000000 13.134508889999996 0.000000000000000 c -4.693975690349838 0.000000000000000 14.753663469556223 Atomic positions (fractional): 1 C 0.11181316728621 0.11788967861775 0.22049546520669 12.011 > 1 2 C 0.61181316728621 0.11788967861775 0.22049546520669 12.011 > 1 3 C 0.11181316728621 0.45122301195108 0.22049546520669 12.011 > 1 4 C 0.61181316728621 0.45122301195108 0.22049546520669 12.011 > 1 5 C 0.11181316728621 0.78455634528441 0.22049546520669 12.011 > 1 6 C 0.61181316728621 0.78455634528441 0.22049546520669 12.011 > 1 7 C 0.11181316728621 0.11788967861775 0.72049546520669 12.011 > 1 8 C 0.61181316728621 0.11788967861775 0.72049546520669 12.011 > 1 9 C 0.11181316728621 0.45122301195108 0.72049546520669 12.011 > 1 10 C 0.61181316728621 0.45122301195108 0.72049546520669 12.011 > 1 11 C 0.11181316728621 0.78455634528441 0.72049546520669 12.011 > 1 12 C 0.61181316728621 0.78455634528441 0.72049546520669 12.011 > 1 13 C 0.38818683271379 0.11788967861775 0.02950453479331 12.011 > 13 14 C 0.88818683271379 0.11788967861775 0.02950453479331 12.011 > 13 15 C 0.38818683271379 0.45122301195108 0.02950453479331 12.011 > 13 16 C 0.88818683271379 0.45122301195108 0.02950453479331 12.011 > 13 17 C 0.38818683271379 0.78455634528441 0.02950453479331 12.011 > 13 18 C 0.88818683271379 0.78455634528441 0.02950453479331 12.011 > 13 19 C 0.38818683271379 0.11788967861775 0.52950453479331 12.011 > 13 20 C 0.88818683271379 0.11788967861775 0.52950453479331 12.011 > 13 21 C 0.38818683271379 0.45122301195108 0.52950453479331 12.011 > 13 22 C 0.88818683271379 0.45122301195108 0.52950453479331 12.011 > 13 23 C 0.38818683271379 0.78455634528441 0.52950453479331 12.011 > 13 24 C 0.88818683271379 0.78455634528441 0.52950453479331 12.011 > 13 25 C 0.11181316728621 0.21544365471559 0.47049546520669 12.011 > 25 26 C 0.61181316728621 0.21544365471559 0.47049546520669 12.011 > 25 27 C 0.11181316728621 0.54877698804892 0.47049546520669 12.011 > 25 28 C 0.61181316728621 0.54877698804892 0.47049546520669 12.011 > 25 29 C 0.11181316728621 0.88211032138225 0.47049546520669 12.011 > 25 30 C 0.61181316728621 0.88211032138225 0.47049546520669 12.011 > 25 31 C 0.11181316728621 0.21544365471559 0.97049546520669 12.011 > 25 32 C 0.61181316728621 0.21544365471559 0.97049546520669 12.011 > 25 33 C 0.11181316728621 0.54877698804892 0.97049546520669 12.011 > 25 34 C 0.61181316728621 0.54877698804892 0.97049546520669 12.011 > 25 35 C 0.11181316728621 0.88211032138225 0.97049546520669 12.011 > 25 36 C 0.61181316728621 0.88211032138225 0.97049546520669 12.011 > 25 37 C 0.38818683271379 0.21544365471559 0.27950453479331 12.011 > 37 38 C 0.88818683271379 0.21544365471559 0.27950453479331 12.011 > 37 39 C 0.38818683271379 0.54877698804892 0.27950453479331 12.011 > 37 40 C 0.88818683271379 0.54877698804892 0.27950453479331 12.011 > 37 41 C 0.38818683271379 0.88211032138225 0.27950453479331 12.011 > 37 42 C 0.88818683271379 0.88211032138225 0.27950453479331 12.011 > 37 43 C 0.38818683271379 0.21544365471559 0.77950453479331 12.011 > 37 44 C 0.88818683271379 0.21544365471559 0.77950453479331 12.011 > 37 45 C 0.38818683271379 0.54877698804892 0.77950453479331 12.011 > 37 46 C 0.88818683271379 0.54877698804892 0.77950453479331 12.011 > 37 47 C 0.38818683271379 0.88211032138225 0.77950453479331 12.011 > 37 48 C 0.88818683271379 0.88211032138225 0.77950453479331 12.011 > 37 49 C 0.36181316728621 0.28455634528441 0.22049546520669 12.011 > 1 50 C 0.86181316728621 0.28455634528441 0.22049546520669 12.011 > 1 51 C 0.36181316728621 0.61788967861775 0.22049546520669 12.011 > 1 52 C 0.86181316728621 0.61788967861775 0.22049546520669 12.011 > 1 53 C 0.36181316728621 0.95122301195108 0.22049546520669 12.011 > 1 54 C 0.86181316728621 0.95122301195108 0.22049546520669 12.011 > 1 55 C 0.36181316728621 0.28455634528441 0.72049546520669 12.011 > 1 56 C 0.86181316728621 0.28455634528441 0.72049546520669 12.011 > 1 57 C 0.36181316728621 0.61788967861775 0.72049546520669 12.011 > 1 58 C 0.86181316728621 0.61788967861775 0.72049546520669 12.011 > 1 59 C 0.36181316728621 0.95122301195108 0.72049546520669 12.011 > 1 60 C 0.86181316728621 0.95122301195108 0.72049546520669 12.011 > 1 61 C 0.13818683271379 0.28455634528441 0.02950453479331 12.011 > 13 62 C 0.63818683271379 0.28455634528441 0.02950453479331 12.011 > 13 63 C 0.13818683271379 0.61788967861775 0.02950453479331 12.011 > 13 64 C 0.63818683271379 0.61788967861775 0.02950453479331 12.011 > 13 65 C 0.13818683271379 0.95122301195108 0.02950453479331 12.011 > 13 66 C 0.63818683271379 0.95122301195108 0.02950453479331 12.011 > 13 67 C 0.13818683271379 0.28455634528441 0.52950453479331 12.011 > 13 68 C 0.63818683271379 0.28455634528441 0.52950453479331 12.011 > 13 69 C 0.13818683271379 0.61788967861775 0.52950453479331 12.011 > 13 70 C 0.63818683271379 0.61788967861775 0.52950453479331 12.011 > 13 71 C 0.13818683271379 0.95122301195108 0.52950453479331 12.011 > 13 72 C 0.63818683271379 0.95122301195108 0.52950453479331 12.011 > 13 73 C 0.36181316728621 0.04877698804892 0.47049546520669 12.011 > 25 74 C 0.86181316728621 0.04877698804892 0.47049546520669 12.011 > 25 75 C 0.36181316728621 0.38211032138225 0.47049546520669 12.011 > 25 76 C 0.86181316728621 0.38211032138225 0.47049546520669 12.011 > 25 77 C 0.36181316728621 0.71544365471559 0.47049546520669 12.011 > 25 78 C 0.86181316728621 0.71544365471559 0.47049546520669 12.011 > 25 79 C 0.36181316728621 0.04877698804892 0.97049546520669 12.011 > 25 80 C 0.86181316728621 0.04877698804892 0.97049546520669 12.011 > 25 81 C 0.36181316728621 0.38211032138225 0.97049546520669 12.011 > 25 82 C 0.86181316728621 0.38211032138225 0.97049546520669 12.011 > 25 83 C 0.36181316728621 0.71544365471559 0.97049546520669 12.011 > 25 84 C 0.86181316728621 0.71544365471559 0.97049546520669 12.011 > 25 85 C 0.13818683271379 0.04877698804892 0.27950453479331 12.011 > 37 86 C 0.63818683271379 0.04877698804892 0.27950453479331 12.011 > 37 87 C 0.13818683271379 0.38211032138225 0.27950453479331 12.011 > 37 88 C 0.63818683271379 0.38211032138225 0.27950453479331 12.011 > 37 89 C 0.13818683271379 0.71544365471559 0.27950453479331 12.011 > 37 90 C 0.63818683271379 0.71544365471559 0.27950453479331 12.011 > 37 91 C 0.13818683271379 0.04877698804892 0.77950453479331 12.011 > 37 92 C 0.63818683271379 0.04877698804892 0.77950453479331 12.011 > 37 93 C 0.13818683271379 0.38211032138225 0.77950453479331 12.011 > 37 94 C 0.63818683271379 0.38211032138225 0.77950453479331 12.011 > 37 95 C 0.13818683271379 0.71544365471559 0.77950453479331 12.011 > 37 96 C 0.63818683271379 0.71544365471559 0.77950453479331 12.011 > 37 97 Sr 0.00000000000000 0.27506018095342 0.12500000000000 87.620 > 97 98 Sr 0.50000000000000 0.27506018095342 0.12500000000000 87.620 > 97 99 Sr 0.00000000000000 0.60839351428675 0.12500000000000 87.620 > 97 100 Sr 0.50000000000000 0.60839351428675 0.12500000000000 87.620 > 97 101 Sr 0.00000000000000 0.94172684762008 0.12500000000000 87.620 > 97 102 Sr 0.50000000000000 0.94172684762008 0.12500000000000 87.620 > 97 103 Sr 0.00000000000000 0.27506018095342 0.62500000000000 87.620 > 97 104 Sr 0.50000000000000 0.27506018095342 0.62500000000000 87.620 > 97 105 Sr 0.00000000000000 0.60839351428675 0.62500000000000 87.620 > 97 106 Sr 0.50000000000000 0.60839351428675 0.62500000000000 87.620 > 97 107 Sr 0.00000000000000 0.94172684762008 0.62500000000000 87.620 > 97 108 Sr 0.50000000000000 0.94172684762008 0.62500000000000 87.620 > 97 109 Sr 0.00000000000000 0.05827315237992 0.37500000000000 87.620 > 109 110 Sr 0.50000000000000 0.05827315237992 0.37500000000000 87.620 > 109 111 Sr 0.00000000000000 0.39160648571325 0.37500000000000 87.620 > 109 112 Sr 0.50000000000000 0.39160648571325 0.37500000000000 87.620 > 109 113 Sr 0.00000000000000 0.72493981904658 0.37500000000000 87.620 > 109 114 Sr 0.50000000000000 0.72493981904658 0.37500000000000 87.620 > 109 115 Sr 0.00000000000000 0.05827315237992 0.87500000000000 87.620 > 109 116 Sr 0.50000000000000 0.05827315237992 0.87500000000000 87.620 > 109 117 Sr 0.00000000000000 0.39160648571325 0.87500000000000 87.620 > 109 118 Sr 0.50000000000000 0.39160648571325 0.87500000000000 87.620 > 109 119 Sr 0.00000000000000 0.72493981904658 0.87500000000000 87.620 > 109 120 Sr 0.50000000000000 0.72493981904658 0.87500000000000 87.620 > 109 121 Sr 0.25000000000000 0.10839351428675 0.12500000000000 87.620 > 97 122 Sr 0.75000000000000 0.10839351428675 0.12500000000000 87.620 > 97 123 Sr 0.25000000000000 0.44172684762008 0.12500000000000 87.620 > 97 124 Sr 0.75000000000000 0.44172684762008 0.12500000000000 87.620 > 97 125 Sr 0.25000000000000 0.77506018095342 0.12500000000000 87.620 > 97 126 Sr 0.75000000000000 0.77506018095342 0.12500000000000 87.620 > 97 127 Sr 0.25000000000000 0.10839351428675 0.62500000000000 87.620 > 97 128 Sr 0.75000000000000 0.10839351428675 0.62500000000000 87.620 > 97 129 Sr 0.25000000000000 0.44172684762008 0.62500000000000 87.620 > 97 130 Sr 0.75000000000000 0.44172684762008 0.62500000000000 87.620 > 97 131 Sr 0.25000000000000 0.77506018095342 0.62500000000000 87.620 > 97 132 Sr 0.75000000000000 0.77506018095342 0.62500000000000 87.620 > 97 133 Sr 0.25000000000000 0.22493981904658 0.37500000000000 87.620 > 109 134 Sr 0.75000000000000 0.22493981904658 0.37500000000000 87.620 > 109 135 Sr 0.25000000000000 0.55827315237992 0.37500000000000 87.620 > 109 136 Sr 0.75000000000000 0.55827315237992 0.37500000000000 87.620 > 109 137 Sr 0.25000000000000 0.89160648571325 0.37500000000000 87.620 > 109 138 Sr 0.75000000000000 0.89160648571325 0.37500000000000 87.620 > 109 139 Sr 0.25000000000000 0.22493981904658 0.87500000000000 87.620 > 109 140 Sr 0.75000000000000 0.22493981904658 0.87500000000000 87.620 > 109 141 Sr 0.25000000000000 0.55827315237992 0.87500000000000 87.620 > 109 142 Sr 0.75000000000000 0.55827315237992 0.87500000000000 87.620 > 109 143 Sr 0.25000000000000 0.89160648571325 0.87500000000000 87.620 > 109 144 Sr 0.75000000000000 0.89160648571325 0.87500000000000 87.620 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4853432 0.0000000 0.0197434 0.0000000 3.8136579 0.0000000 0.0197427 0.0000000 3.8113369 -------------------------- Born effective charges -------------------------- 1 C -1.1743163 -0.0060570 -0.0206865 -0.0396224 -1.1607474 -0.1124481 0.0190515 -0.0134231 -1.1749831 2 C -1.1743163 0.0060570 -0.0206865 0.0396224 -1.1607474 0.1124481 0.0190515 0.0134231 -1.1749831 3 C -1.1743163 0.0060570 -0.0206865 0.0396224 -1.1607474 0.1124481 0.0190515 0.0134231 -1.1749831 4 C -1.1743163 -0.0060570 -0.0206865 -0.0396224 -1.1607474 -0.1124481 0.0190515 -0.0134231 -1.1749831 5 Sr 2.3486326 0.0000000 0.0413729 0.0000000 2.3214948 0.0000000 -0.0381030 0.0000000 2.3499662 6 Sr 2.3486326 0.0000000 0.0413729 0.0000000 2.3214948 0.0000000 -0.0381030 0.0000000 2.3499662 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) --------------------------- 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 ... [ 14 14 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: 0.86, Number of G-points: 311, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/372) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 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 1.575 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 4.040 ( 0.000 0.000 0.000) 0.000 6.258 ( 0.000 0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 6.359 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 6.695 ( 0.000 0.000 0.000) 0.000 7.406 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 0.000) 0.000 7.621 ( 0.000 0.000 0.000) 0.000 8.232 ( 0.000 0.000 0.000) 0.000 8.998 ( 0.000 0.000 0.000) 0.000 56.092 ( 0.000 0.000 0.000) 0.000 56.139 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/372) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 19.289 -14.068 -6.373) 24.710 0.437 ( -5.718 -34.996 -23.125) 42.334 1.016 ( 21.673 -39.895 32.173) 55.646 1.734 ( 11.442 -11.357 -0.853) 16.144 3.255 ( -1.281 -1.773 -4.528) 5.029 3.971 ( -0.202 7.260 -0.041) 7.263 6.310 ( 11.285 12.163 7.178) 18.078 6.330 ( -3.462 -1.904 1.149) 4.115 6.366 ( -2.088 -2.291 -3.852) 4.945 6.716 ( 2.151 -1.342 -2.924) 3.870 7.012 ( 1.920 -1.371 -2.157) 3.196 7.427 ( 0.277 -0.483 0.643) 0.851 7.554 ( -1.145 6.761 -1.903) 7.116 8.168 ( -2.319 5.157 -2.784) 6.302 8.963 ( 0.861 5.530 4.041) 6.903 10.385 ( 3.917 8.296 -1.338) 9.271 56.097 ( 0.178 -0.433 0.021) 0.468 56.141 ( 0.038 -0.139 0.029) 0.147 ======================= Grid point 2 (3/372) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 19.736 -14.708 -1.972) 24.693 0.874 ( -6.255 -35.459 -23.889) 43.211 1.866 ( 12.063 -26.804 23.556) 37.667 2.180 ( 22.641 -23.885 4.177) 33.175 3.199 ( -4.639 2.665 -15.116) 16.035 3.865 ( 3.411 6.872 8.333) 11.327 6.216 ( 5.381 13.063 7.777) 16.127 6.334 ( -6.326 -4.162 -0.334) 7.580 6.382 ( 1.667 -1.233 -0.716) 2.194 6.744 ( 1.095 -1.138 -5.635) 5.852 7.040 ( 0.861 -0.214 0.238) 0.919 7.348 ( -2.907 11.054 -3.153) 11.857 7.468 ( 2.671 1.125 1.284) 3.170 8.040 ( -1.283 5.722 -2.734) 6.470 8.858 ( 0.830 10.312 5.940) 11.930 10.234 ( -1.758 10.213 -5.561) 11.761 56.109 ( 0.295 -0.746 -0.001) 0.802 56.145 ( 0.091 -0.273 0.075) 0.297 ======================= Grid point 3 (4/372) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 18.769 -11.757 3.957) 22.498 1.311 ( -6.684 -36.278 -25.762) 44.994 2.330 ( 7.916 -15.284 8.508) 19.200 2.829 ( 10.734 -12.244 -6.294) 17.457 3.052 ( 6.588 -6.149 -2.323) 9.307 3.892 ( 6.480 2.324 16.241) 17.640 6.026 ( 4.474 19.909 7.888) 21.877 6.325 ( -6.834 -3.680 -5.549) 9.541 6.433 ( 2.337 -1.741 2.832) 4.063 6.720 ( -2.470 0.738 -7.918) 8.327 7.038 ( -1.292 0.925 -0.811) 1.784 7.113 ( -3.468 9.365 -1.190) 10.057 7.492 ( 5.038 1.759 1.434) 5.525 7.965 ( 1.467 2.788 -1.872) 3.665 8.696 ( 1.196 12.771 7.684) 14.953 9.982 ( -5.381 12.899 -9.916) 17.137 56.126 ( 0.319 -0.867 -0.079) 0.927 56.152 ( 0.159 -0.385 0.141) 0.440 ======================= Grid point 4 (5/372) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 14.300 -8.316 4.653) 17.184 1.745 ( -5.160 -33.796 -23.184) 41.307 2.549 ( -2.181 -3.558 -7.467) 8.554 2.791 ( 7.600 -2.971 -9.378) 12.431 3.564 ( 16.653 -17.317 12.563) 27.112 3.973 ( 6.032 3.879 17.749) 19.143 5.722 ( 4.712 25.115 7.751) 26.703 6.237 ( -9.791 1.629 -12.577) 16.022 6.496 ( 2.550 -1.796 2.597) 4.059 6.653 ( -3.371 -0.753 -4.903) 5.998 6.911 ( -0.374 6.906 -1.495) 7.076 7.090 ( -3.792 -4.989 1.638) 6.477 7.520 ( 6.376 2.567 0.977) 6.942 7.931 ( 1.470 3.445 -4.013) 5.490 8.553 ( 3.348 10.279 11.852) 16.042 9.651 ( -7.821 14.091 -13.742) 21.179 56.142 ( 0.256 -0.787 -0.163) 0.844 56.161 ( 0.218 -0.447 0.188) 0.532 ======================= Grid point 5 (6/372) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 8.556 -4.640 1.105) 9.796 2.138 ( -3.493 -26.844 -16.623) 31.766 2.561 ( 0.814 -8.237 -10.774) 13.586 2.968 ( 7.399 -6.080 1.324) 9.668 3.840 ( 4.680 6.831 7.818) 11.388 4.050 ( 9.063 -2.136 13.649) 16.523 5.404 ( 6.280 22.290 7.891) 24.465 6.023 ( -11.535 3.370 -14.849) 19.103 6.566 ( 1.365 -3.292 1.638) 3.923 6.656 ( 0.136 -1.917 -0.627) 2.022 6.824 ( -0.177 3.168 -1.546) 3.529 7.149 ( -4.332 -6.169 1.633) 7.713 7.540 ( 6.256 3.291 0.458) 7.084 7.839 ( -0.023 6.029 -6.083) 8.564 8.527 ( 5.710 4.425 15.331) 16.947 9.296 ( -8.627 12.424 -15.795) 21.869 56.155 ( 0.162 -0.569 -0.163) 0.613 56.171 ( 0.217 -0.409 0.155) 0.488 ======================= Grid point 6 (7/372) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 4.111 -2.874 -0.434) 5.034 2.408 ( -0.904 -13.164 -6.328) 14.633 2.779 ( 1.548 -18.810 -9.361) 21.067 3.113 ( 4.703 -2.830 3.867) 6.714 3.641 ( -0.562 18.071 5.331) 18.850 4.178 ( 4.666 0.952 4.678) 6.675 5.214 ( 6.222 11.474 6.839) 14.736 5.840 ( -8.406 0.917 -9.987) 13.086 6.626 ( -1.584 -3.770 -0.100) 4.090 6.682 ( 3.746 2.523 1.518) 4.765 6.798 ( -0.550 -1.256 -1.570) 2.084 7.199 ( -3.417 -3.874 1.233) 5.310 7.541 ( 3.983 3.026 0.080) 5.003 7.735 ( 0.045 3.732 -4.170) 5.596 8.600 ( 6.000 0.697 14.990) 16.161 8.990 ( -7.637 7.940 -15.290) 18.846 56.163 ( 0.078 -0.295 -0.090) 0.318 56.179 ( 0.131 -0.243 0.074) 0.286 ======================= Grid point 7 (8/372) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 0.000 -0.000 0.000) 0.000 2.502 ( 0.000 -0.000 -0.000) 0.000 2.998 ( 0.000 -0.000 -0.000) 0.000 3.169 ( 0.000 -0.000 0.000) 0.000 3.428 ( 0.000 0.000 0.000) 0.000 4.186 ( 0.000 -0.000 -0.000) 0.000 5.174 ( 0.000 -0.000 -0.000) 0.000 5.771 ( 0.000 -0.000 0.000) 0.000 6.662 ( -0.000 -0.000 -0.000) 0.000 6.663 ( 0.000 0.000 0.000) 0.000 6.813 ( 0.000 -0.000 -0.000) 0.000 7.213 ( 0.000 -0.000 0.000) 0.000 7.535 ( 0.000 -0.000 0.000) 0.000 7.699 ( 0.000 0.000 -0.000) 0.000 8.686 ( 0.000 -0.000 -0.000) 0.000 8.824 ( 0.000 -0.000 0.000) 0.000 56.165 ( 0.000 -0.000 -0.000) 0.000 56.182 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 16 (9/372) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 12.441 0.000 23.227) 26.349 0.638 ( 21.980 0.000 30.925) 37.941 0.967 ( 43.567 0.000 11.671) 45.103 1.798 ( 19.547 0.000 -0.929) 19.569 3.224 ( -0.488 -0.000 -5.811) 5.832 4.007 ( -2.103 -0.000 -3.413) 4.009 6.236 ( -6.150 -0.000 -2.153) 6.516 6.349 ( 0.072 0.000 1.363) 1.365 6.666 ( 8.046 0.000 1.790) 8.243 6.670 ( -1.174 -0.000 -3.542) 3.732 6.966 ( 4.283 0.000 -7.494) 8.632 7.405 ( -0.824 -0.000 1.605) 1.805 7.571 ( -3.476 -0.000 -3.731) 5.099 8.169 ( -2.903 -0.000 -5.143) 5.906 9.033 ( 0.089 0.000 6.767) 6.767 10.525 ( -2.630 -0.000 -1.703) 3.133 56.096 ( 0.383 0.000 0.035) 0.385 56.140 ( 0.071 0.000 -0.019) 0.074 ======================= Grid point 17 (10/372) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 17.196 3.224 8.603) 19.496 1.002 ( 27.620 -3.406 12.935) 30.689 1.715 ( 29.010 -24.029 20.337) 42.809 2.119 ( 23.992 -12.980 0.068) 27.278 3.171 ( -1.622 2.863 -11.028) 11.509 3.953 ( -1.256 1.436 -1.444) 2.392 6.189 ( -5.448 -1.658 -0.106) 5.696 6.357 ( -1.226 -0.199 3.761) 3.961 6.540 ( 5.620 9.151 0.557) 10.753 6.748 ( 4.337 0.657 -4.169) 6.051 7.024 ( 0.500 -2.250 -2.207) 3.191 7.424 ( -1.063 -0.271 -0.245) 1.124 7.470 ( -4.629 3.307 -3.445) 6.651 8.098 ( -0.610 3.585 -4.332) 5.655 9.006 ( -1.382 5.229 7.278) 9.067 10.383 ( -2.656 10.553 -2.884) 11.258 56.104 ( 0.510 -0.366 0.036) 0.629 56.142 ( 0.109 -0.175 0.014) 0.207 ======================= Grid point 18 (11/372) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 10.455 -19.274 -13.092) 25.538 1.384 ( 26.851 -4.012 10.436) 29.086 2.267 ( 17.019 -11.049 8.220) 21.893 2.709 ( 20.002 -19.566 2.451) 28.087 3.047 ( 3.365 1.366 -9.828) 10.477 3.971 ( 1.849 -2.541 5.256) 6.124 6.167 ( -5.236 -1.324 2.477) 5.942 6.322 ( -2.446 4.953 2.819) 6.202 6.499 ( 6.283 3.776 0.560) 7.352 6.727 ( 2.552 4.453 -5.959) 7.864 7.018 ( -2.510 0.161 -0.263) 2.529 7.242 ( -4.712 10.677 -4.246) 12.419 7.504 ( 0.708 -3.946 0.482) 4.038 8.037 ( 2.876 3.701 -2.746) 5.432 8.893 ( -2.242 8.659 7.480) 11.660 10.127 ( -4.789 14.169 -6.789) 16.426 56.118 ( 0.535 -0.600 -0.015) 0.804 56.148 ( 0.165 -0.333 0.081) 0.380 ======================= Grid point 19 (12/372) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 5.961 -26.996 -19.027) 33.561 1.729 ( 23.529 -1.919 9.025) 25.273 2.503 ( 4.091 -0.573 -4.766) 6.307 2.800 ( 7.920 -1.507 -12.857) 15.175 3.495 ( 20.997 -19.485 13.001) 31.457 4.075 ( 2.686 -2.922 9.440) 10.240 6.101 ( -2.490 10.354 10.556) 14.995 6.154 ( -5.630 6.737 -11.342) 14.343 6.518 ( 2.006 0.709 -0.002) 2.128 6.642 ( 1.908 4.384 -3.404) 5.869 7.006 ( -1.204 -1.356 0.273) 1.834 7.026 ( -3.594 8.086 -1.155) 8.924 7.577 ( 3.194 -2.187 -0.353) 3.888 8.003 ( 3.239 4.024 -3.522) 6.252 8.756 ( -1.268 8.393 9.957) 13.084 9.784 ( -6.935 16.482 -10.974) 20.980 56.133 ( 0.468 -0.659 -0.098) 0.814 56.157 ( 0.221 -0.444 0.148) 0.518 ======================= Grid point 20 (13/372) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 3.058 -27.474 -19.115) 33.609 1.967 ( 18.388 1.577 4.113) 18.908 2.483 ( 3.637 -1.557 -8.536) 9.408 2.967 ( 10.760 -5.311 -2.145) 12.189 3.950 ( 13.604 -6.796 8.187) 17.270 4.150 ( 2.144 -0.033 11.303) 11.505 5.800 ( -3.386 19.638 -5.899) 20.782 5.974 ( -5.239 7.253 -1.314) 9.044 6.515 ( -1.179 -1.734 -1.795) 2.760 6.652 ( 3.702 -0.833 3.300) 5.029 6.895 ( -0.769 5.208 -0.671) 5.307 7.043 ( -0.661 -3.587 0.925) 3.763 7.633 ( 4.892 0.318 -1.092) 5.022 7.922 ( 0.522 6.432 -5.784) 8.666 8.687 ( 1.077 4.422 13.702) 14.438 9.394 ( -7.842 16.274 -13.880) 22.781 56.147 ( 0.356 -0.576 -0.152) 0.694 56.167 ( 0.233 -0.452 0.179) 0.539 ======================= Grid point 21 (14/372) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 2.511 -13.796 -12.081) 18.509 2.166 ( 14.014 -8.555 -3.127) 16.714 2.603 ( 7.017 -6.978 -2.244) 10.147 3.129 ( 7.601 -3.235 0.146) 8.262 3.943 ( 1.269 14.648 5.457) 15.683 4.258 ( 4.300 -0.323 7.481) 8.635 5.425 ( -7.143 14.249 -13.470) 20.868 5.848 ( 1.912 6.091 6.963) 9.447 6.542 ( -1.571 -3.388 -1.457) 4.008 6.733 ( 2.716 -2.782 5.125) 6.433 6.814 ( 0.544 4.483 -1.460) 4.746 7.107 ( -0.125 -4.211 0.646) 4.262 7.639 ( 3.189 4.438 -2.739) 6.113 7.805 ( 0.905 4.838 -4.066) 6.385 8.707 ( 1.804 1.302 13.737) 13.916 9.030 ( -6.853 12.478 -13.678) 19.742 56.158 ( 0.251 -0.405 -0.152) 0.500 56.176 ( 0.172 -0.325 0.173) 0.406 ======================= Grid point 22 (15/372) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 4.361 -0.683 -3.840) 5.850 2.455 ( 9.724 -9.712 -4.594) 14.491 2.811 ( 5.520 -11.521 -3.309) 13.197 3.226 ( 4.103 -0.619 2.258) 4.724 3.654 ( -0.851 20.636 3.491) 20.946 4.238 ( -1.313 5.351 3.864) 6.729 5.129 ( -9.907 5.242 -15.935) 19.482 5.866 ( 8.263 2.511 12.839) 15.473 6.574 ( -1.619 -3.079 -1.800) 3.917 6.743 ( -1.245 2.653 -1.533) 3.307 6.817 ( 3.366 -0.494 5.349) 6.339 7.177 ( 0.750 -3.876 0.088) 3.948 7.547 ( -2.100 4.233 -3.600) 5.941 7.768 ( 4.525 3.654 -0.388) 5.829 8.670 ( -6.085 5.216 -8.446) 11.643 8.865 ( 2.640 0.318 8.344) 8.758 56.164 ( 0.159 -0.172 -0.117) 0.262 56.182 ( 0.057 -0.096 0.152) 0.189 ======================= Grid point 23 (16/372) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 2.252 5.506 -1.317) 6.093 2.588 ( 7.896 3.683 0.838) 8.753 3.012 ( 2.456 -5.491 -4.440) 7.477 3.177 ( -0.133 15.358 4.535) 16.014 3.434 ( 1.011 -1.822 -0.732) 2.208 4.137 ( -5.452 3.499 1.288) 6.605 4.951 ( -11.543 -3.894 -15.120) 19.417 5.993 ( 11.624 0.729 14.701) 18.755 6.594 ( -2.179 -2.210 -2.025) 3.706 6.689 ( -0.839 1.931 -1.411) 2.534 6.851 ( 2.496 2.075 5.411) 6.310 7.249 ( 3.024 -2.275 -0.411) 3.806 7.467 ( -4.741 0.116 -1.996) 5.145 7.754 ( 3.393 3.129 1.873) 4.981 8.487 ( -7.853 2.283 -14.288) 16.462 9.003 ( 6.071 -5.655 13.946) 16.227 56.166 ( 0.079 0.100 -0.052) 0.137 56.181 ( -0.072 0.172 0.104) 0.214 ======================= Grid point 24 (17/372) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -0.635 9.685 -0.894) 9.746 2.542 ( 6.961 11.357 7.975) 15.525 2.864 ( 1.806 21.369 14.001) 25.612 3.000 ( -2.347 5.094 -6.377) 8.492 3.607 ( 0.539 -13.155 -8.385) 15.609 3.980 ( -11.057 5.807 -5.808) 13.773 4.961 ( -10.083 -16.739 -10.559) 22.212 6.165 ( 12.411 -0.839 14.584) 19.169 6.570 ( -3.486 1.133 -0.806) 3.753 6.669 ( 0.620 -0.672 -2.264) 2.442 6.850 ( 2.607 2.910 4.887) 6.257 7.287 ( 5.246 3.340 -0.852) 6.277 7.425 ( -6.146 -2.040 -1.217) 6.589 7.776 ( 0.580 -2.927 4.559) 5.449 8.350 ( -8.227 -1.646 -15.123) 17.294 9.250 ( 7.614 -10.020 14.108) 18.905 56.163 ( 0.017 0.392 0.054) 0.396 56.176 ( -0.181 0.398 -0.008) 0.437 ======================= Grid point 25 (18/372) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -4.480 14.183 -2.512) 15.085 2.396 ( 9.707 24.973 17.783) 32.157 2.700 ( 4.532 5.569 17.758) 19.154 2.825 ( -4.532 8.936 -3.379) 10.574 3.629 ( -12.094 12.671 -8.275) 19.372 3.746 ( -7.644 -6.002 -20.221) 22.435 5.206 ( -7.311 -26.288 -6.570) 28.066 6.363 ( 11.597 -1.868 13.115) 17.606 6.502 ( -2.574 2.531 -0.157) 3.614 6.699 ( 2.720 -1.730 -1.699) 3.644 6.853 ( 0.709 0.007 3.929) 3.992 7.239 ( 4.544 7.788 -0.892) 9.061 7.391 ( -7.170 -2.813 -1.961) 7.947 7.874 ( -0.060 -4.897 5.394) 7.286 8.297 ( -6.903 -8.505 -13.503) 17.387 9.560 ( 7.374 -12.504 12.444) 19.120 56.154 ( -0.047 0.726 0.166) 0.746 56.166 ( -0.213 0.462 -0.151) 0.530 ======================= Grid point 26 (19/372) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -8.159 18.119 -2.806) 20.068 2.083 ( 11.433 33.292 24.033) 42.623 2.529 ( -1.141 17.170 -7.717) 18.859 2.893 ( 1.289 -3.838 21.386) 21.766 3.138 ( -13.961 18.371 -9.833) 25.082 3.686 ( -8.342 -4.263 -23.004) 24.838 5.565 ( -5.645 -26.182 -4.440) 27.149 6.443 ( -1.337 2.286 0.030) 2.648 6.497 ( 9.624 3.424 5.244) 11.483 6.766 ( 3.077 -0.856 4.318) 5.371 6.929 ( -0.118 -9.128 2.274) 9.408 7.145 ( 2.003 6.582 -1.303) 7.002 7.365 ( -6.799 -4.095 -2.397) 8.291 7.930 ( -0.238 -1.417 1.972) 2.440 8.415 ( -3.397 -15.329 -7.279) 17.306 9.867 ( 5.316 -12.348 8.877) 16.111 56.139 ( -0.121 0.980 0.125) 0.995 56.156 ( -0.143 0.406 -0.147) 0.455 ======================= Grid point 27 (20/372) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -8.749 20.242 -1.422) 22.097 1.721 ( 13.090 36.631 27.285) 47.515 2.159 ( 0.169 24.943 -18.444) 31.022 2.373 ( -20.668 28.523 -7.028) 35.918 3.265 ( 7.981 -5.341 21.951) 23.960 3.616 ( -8.067 -9.504 -20.238) 23.769 5.873 ( -4.489 -18.910 -3.055) 19.674 6.398 ( -0.320 1.978 -0.854) 2.178 6.509 ( 6.946 5.894 1.466) 9.227 6.783 ( -0.375 1.843 3.639) 4.096 7.040 ( -1.083 1.583 -0.309) 1.943 7.173 ( 1.409 -12.602 1.023) 12.721 7.376 ( -3.632 -4.427 -1.462) 5.909 7.974 ( 0.703 -3.921 0.951) 4.096 8.626 ( -1.329 -14.496 -3.272) 14.920 10.114 ( 2.311 -10.148 4.327) 11.272 56.122 ( -0.107 0.999 0.033) 1.005 56.149 ( -0.063 0.341 -0.066) 0.353 ======================= Grid point 28 (21/372) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -0.000 19.881 -0.000) 19.881 1.297 ( -0.000 37.551 -0.000) 37.551 1.448 ( -0.000 42.510 -0.000) 42.510 1.920 ( -0.000 17.713 -0.000) 17.713 3.326 ( -0.000 3.747 -0.000) 3.747 3.780 ( 0.000 -14.906 0.000) 14.906 6.080 ( 0.000 -11.021 0.000) 11.021 6.365 ( -0.000 1.809 -0.000) 1.809 6.463 ( -0.000 4.657 -0.000) 4.657 6.743 ( -0.000 2.698 -0.000) 2.698 7.007 ( -0.000 0.604 -0.000) 0.604 7.400 ( 0.000 -12.310 0.000) 12.310 7.409 ( 0.000 -1.916 0.000) 1.916 8.077 ( 0.000 -7.137 0.000) 7.137 8.820 ( 0.000 -10.477 0.000) 10.477 10.271 ( 0.000 -6.945 0.000) 6.945 56.106 ( -0.000 0.801 -0.000) 0.801 56.144 ( -0.000 0.250 -0.000) 0.250 ======================= Grid point 31 (22/372) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 15.442 0.000 22.946) 27.658 1.297 ( 23.723 0.000 25.920) 35.137 1.935 ( 43.417 0.000 9.799) 44.509 2.255 ( 23.943 0.000 -1.882) 24.017 3.160 ( -0.158 -0.000 -10.141) 10.143 3.909 ( -4.173 -0.000 -6.723) 7.913 6.145 ( -1.746 -0.000 0.190) 1.757 6.350 ( -2.393 -0.000 4.107) 4.753 6.611 ( -0.819 -0.000 -7.037) 7.084 6.816 ( 5.305 0.000 1.210) 5.441 7.011 ( 3.128 0.000 -2.531) 4.024 7.388 ( -1.841 -0.000 2.560) 3.153 7.444 ( -5.460 -0.000 -5.610) 7.828 8.115 ( 1.328 0.000 -3.953) 4.170 9.043 ( -4.180 -0.000 6.861) 8.034 10.423 ( -6.279 -0.000 -1.726) 6.512 56.108 ( 0.655 0.000 0.045) 0.656 56.142 ( 0.146 0.000 -0.024) 0.148 ======================= Grid point 32 (23/372) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 18.681 11.853 17.348) 28.114 1.658 ( 25.630 -3.014 18.201) 31.579 2.398 ( 27.224 -2.198 3.863) 27.584 2.655 ( 24.824 -15.055 0.919) 29.047 3.095 ( 5.115 2.796 -9.481) 11.130 3.890 ( -3.240 -5.752 -4.537) 8.010 6.136 ( -0.522 0.502 2.352) 2.461 6.324 ( -4.982 0.592 2.710) 5.702 6.570 ( 1.270 1.479 -6.105) 6.408 6.855 ( 5.875 2.590 0.691) 6.458 7.007 ( -0.813 2.371 -0.914) 2.668 7.314 ( -5.732 6.283 -4.985) 9.858 7.426 ( -0.135 -4.807 1.779) 5.127 8.111 ( 3.788 2.133 -2.877) 5.213 8.975 ( -6.149 3.899 6.138) 9.523 10.259 ( -7.170 9.868 -3.344) 12.648 56.117 ( 0.694 -0.279 0.023) 0.748 56.145 ( 0.184 -0.208 0.011) 0.278 ======================= Grid point 33 (24/372) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 18.476 1.061 4.291) 18.997 2.009 ( 25.304 -0.961 13.537) 28.713 2.589 ( 8.733 5.408 -7.267) 12.582 2.824 ( 9.996 -1.553 -11.628) 15.412 3.468 ( 26.590 -17.476 9.998) 33.352 3.990 ( -1.861 -9.419 -0.042) 9.601 6.114 ( -1.922 2.757 -0.483) 3.395 6.230 ( -6.627 4.032 1.389) 7.881 6.547 ( 1.475 1.664 -4.282) 4.825 6.823 ( 6.031 9.889 2.181) 11.787 6.966 ( -1.769 -0.995 0.168) 2.037 7.123 ( -4.001 7.923 -2.618) 9.254 7.529 ( 1.922 -5.650 0.078) 5.969 8.098 ( 4.267 3.889 -3.477) 6.740 8.854 ( -6.287 4.837 7.503) 10.919 9.953 ( -7.697 15.703 -6.502) 18.657 56.130 ( 0.631 -0.430 -0.036) 0.764 56.153 ( 0.226 -0.388 0.077) 0.455 ======================= Grid point 34 (25/372) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 14.093 -11.111 -5.982) 18.917 2.257 ( 20.794 5.484 5.590) 22.220 2.508 ( 5.737 1.586 -8.513) 10.388 3.003 ( 13.840 -4.180 -4.362) 15.101 3.993 ( 20.205 -11.414 7.933) 24.525 4.116 ( -2.600 -7.177 3.343) 8.333 5.901 ( -9.400 12.196 -15.691) 21.984 6.133 ( -0.944 6.429 10.669) 12.492 6.508 ( 0.562 2.363 -2.692) 3.626 6.745 ( 3.957 5.829 5.218) 8.767 6.935 ( -3.653 2.494 0.147) 4.425 7.042 ( 4.032 0.707 -1.039) 4.223 7.637 ( 3.614 -4.115 -1.502) 5.678 8.026 ( 1.552 7.145 -5.679) 9.259 8.767 ( -4.497 2.273 11.134) 12.221 9.566 ( -7.573 18.258 -9.374) 21.876 56.143 ( 0.512 -0.458 -0.096) 0.694 56.163 ( 0.240 -0.474 0.133) 0.548 ======================= Grid point 35 (26/372) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 8.596 -16.645 -10.899) 21.673 2.345 ( 17.107 3.624 -1.801) 17.579 2.628 ( 12.117 -2.183 2.225) 12.512 3.172 ( 10.505 -2.305 -2.815) 11.117 4.126 ( -1.835 3.472 4.218) 5.763 4.303 ( 9.230 -3.093 4.864) 10.882 5.494 ( -11.659 15.506 -19.335) 27.390 6.054 ( 3.773 8.272 12.016) 15.068 6.493 ( 0.332 -0.829 -0.919) 1.282 6.740 ( -0.262 0.764 7.523) 7.566 6.877 ( 0.900 1.949 -1.539) 2.641 7.089 ( 4.690 -0.647 -1.407) 4.939 7.710 ( 3.979 0.477 -4.132) 5.757 7.881 ( -0.722 6.743 -4.359) 8.062 8.757 ( -2.902 -0.191 12.433) 12.769 9.168 ( -6.112 16.883 -10.069) 20.586 56.154 ( 0.394 -0.397 -0.131) 0.575 56.173 ( 0.190 -0.421 0.170) 0.492 ======================= Grid point 36 (27/372) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 3.947 -14.168 -11.112) 18.433 2.518 ( 19.253 -0.991 1.351) 19.326 2.792 ( 10.921 -2.742 1.547) 11.366 3.272 ( 6.435 -0.112 -1.123) 6.534 3.968 ( -1.798 14.976 4.042) 15.616 4.332 ( 0.137 6.082 2.482) 6.570 5.082 ( -12.221 11.079 -19.211) 25.321 6.055 ( 8.065 3.891 13.581) 16.267 6.523 ( 0.655 -2.044 -0.025) 2.147 6.726 ( -4.046 0.601 3.149) 5.162 6.889 ( 4.445 0.544 2.137) 4.962 7.142 ( 3.483 -1.551 -2.478) 4.547 7.608 ( -2.449 7.769 -6.329) 10.316 7.854 ( 4.325 0.637 -0.324) 4.384 8.707 ( -5.382 8.222 -2.860) 10.235 8.919 ( -0.766 2.861 4.741) 5.590 56.163 ( 0.290 -0.257 -0.144) 0.413 56.180 ( 0.092 -0.240 0.196) 0.323 ======================= Grid point 37 (28/372) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 1.727 -4.463 -7.155) 8.608 2.728 ( 16.146 -0.157 1.825) 16.250 2.955 ( 10.024 -3.442 -2.012) 10.788 3.304 ( 2.357 1.532 0.878) 2.945 3.660 ( -0.101 20.474 2.348) 20.609 4.180 ( -6.465 7.957 3.006) 10.684 4.774 ( -12.376 3.894 -16.523) 21.008 6.164 ( 9.836 0.255 13.145) 16.419 6.560 ( 1.529 -0.669 -0.544) 1.755 6.679 ( -3.615 0.522 1.229) 3.853 6.937 ( 4.254 1.150 5.114) 6.750 7.203 ( 1.825 -4.044 -3.154) 5.443 7.448 ( -4.704 4.650 -3.859) 7.658 7.872 ( 4.804 3.570 0.351) 5.996 8.455 ( -6.690 9.033 -10.590) 15.444 9.002 ( 2.683 -5.450 11.253) 12.788 56.167 ( 0.195 -0.057 -0.133) 0.243 56.183 ( -0.017 0.025 0.200) 0.202 ======================= Grid point 38 (29/372) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 1.254 5.421 -2.726) 6.196 2.810 ( 9.599 9.171 7.139) 15.074 3.033 ( 4.981 1.985 -10.212) 11.534 3.232 ( 1.494 13.259 5.563) 14.456 3.479 ( 4.657 0.396 -1.026) 4.785 3.972 ( -10.990 7.908 0.512) 13.549 4.618 ( -11.546 -6.628 -11.172) 17.379 6.312 ( 9.223 -1.406 10.514) 14.056 6.557 ( -0.182 1.343 -2.102) 2.501 6.662 ( 0.025 0.096 3.014) 3.015 6.958 ( 3.789 3.549 4.585) 6.927 7.304 ( 2.497 -5.988 -1.530) 6.665 7.340 ( -6.073 0.200 -1.715) 6.313 7.834 ( 3.215 5.945 1.363) 6.895 8.233 ( -8.041 4.075 -11.841) 14.882 9.199 ( 4.793 -9.335 10.577) 14.899 56.168 ( 0.121 0.168 -0.087) 0.225 56.180 ( -0.112 0.323 0.151) 0.374 ======================= Grid point 39 (30/372) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 0.286 13.637 -1.258) 13.697 2.740 ( 1.936 6.789 13.868) 15.561 2.964 ( 9.113 11.246 -8.404) 16.738 3.030 ( 3.239 16.257 10.156) 19.440 3.539 ( -2.955 -3.067 -12.876) 13.562 3.692 ( -10.952 11.152 -2.160) 15.779 4.713 ( -8.023 -20.840 -5.673) 23.040 6.470 ( 8.128 -3.640 7.281) 11.503 6.515 ( -1.867 1.696 0.824) 2.654 6.686 ( 3.500 0.180 1.223) 3.712 6.926 ( 0.872 4.511 2.430) 5.197 7.269 ( -5.393 -0.661 -2.275) 5.891 7.412 ( 4.677 2.050 1.554) 5.338 7.808 ( 0.068 -2.812 3.145) 4.219 8.090 ( -7.654 -1.446 -11.769) 14.113 9.459 ( 4.932 -12.045 8.481) 15.535 56.164 ( 0.097 0.413 0.016) 0.425 56.172 ( -0.186 0.556 0.022) 0.587 ======================= Grid point 40 (31/372) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -1.517 19.986 -1.104) 20.074 2.685 ( 1.220 15.283 12.501) 19.782 2.800 ( 9.206 17.096 -1.261) 19.458 2.932 ( 6.723 1.232 13.989) 15.570 3.253 ( -16.224 16.039 -10.319) 25.039 3.513 ( -3.697 1.975 -13.895) 14.513 5.057 ( -3.517 -28.107 -2.143) 28.407 6.468 ( -0.498 2.210 -0.615) 2.348 6.645 ( 6.866 -2.986 9.816) 12.345 6.733 ( 3.186 -2.533 -4.197) 5.847 6.862 ( -3.001 1.599 1.861) 3.876 7.237 ( -3.519 -2.229 -1.876) 4.569 7.319 ( 1.502 10.914 0.160) 11.018 7.919 ( 1.357 -2.331 4.214) 5.003 8.097 ( -4.722 -14.498 -7.887) 17.167 9.729 ( 2.989 -12.830 4.767) 14.010 56.155 ( 0.033 0.897 0.115) 0.905 56.161 ( -0.126 0.412 -0.108) 0.445 ======================= Grid point 41 (32/372) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -0.000 22.419 -0.000) 22.419 2.368 ( -0.000 26.361 -0.000) 26.361 2.561 ( -0.000 20.295 -0.000) 20.295 2.680 ( -0.000 30.891 -0.000) 30.891 3.207 ( 0.000 -16.441 0.000) 16.441 3.421 ( -0.000 1.840 -0.000) 1.840 5.483 ( 0.000 -25.512 0.000) 25.512 6.429 ( -0.000 2.148 -0.000) 2.148 6.654 ( -0.000 6.469 -0.000) 6.469 6.795 ( 0.000 -1.251 0.000) 1.251 6.933 ( 0.000 -11.590 0.000) 11.590 7.157 ( -0.000 8.201 -0.000) 8.201 7.273 ( 0.000 -4.699 0.000) 4.699 7.940 ( 0.000 -0.957 0.000) 0.957 8.349 ( 0.000 -17.509 0.000) 17.509 9.956 ( 0.000 -11.847 0.000) 11.847 56.138 ( -0.000 1.068 -0.000) 1.068 56.154 ( -0.000 0.375 -0.000) 0.375 ======================= Grid point 46 (33/372) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 14.790 0.000 20.351) 25.158 1.935 ( 23.287 0.000 20.959) 31.330 2.707 ( 21.405 0.000 -4.608) 21.895 2.762 ( 23.974 0.000 -1.686) 24.033 3.187 ( 17.264 0.000 -3.666) 17.649 3.751 ( -5.822 -0.000 -9.150) 10.845 6.167 ( 2.376 0.000 3.998) 4.650 6.273 ( -6.842 -0.000 0.901) 6.901 6.567 ( 1.276 0.000 -7.489) 7.597 6.903 ( 2.724 0.000 1.453) 3.087 7.058 ( 2.230 0.000 0.022) 2.230 7.295 ( -5.289 -0.000 -4.770) 7.122 7.390 ( 0.643 0.000 3.570) 3.627 8.163 ( 4.615 0.000 -2.348) 5.178 8.942 ( -9.220 -0.000 4.598) 10.303 10.246 ( -9.500 -0.000 -2.496) 9.823 56.122 ( 0.751 0.000 0.025) 0.752 56.146 ( 0.212 0.000 -0.008) 0.212 ======================= Grid point 47 (34/372) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 15.561 10.268 16.170) 24.679 2.267 ( 22.382 -3.031 16.717) 28.100 2.765 ( 3.153 9.553 -13.261) 16.645 2.903 ( 17.352 -1.304 -7.663) 19.013 3.569 ( 32.959 -10.021 6.431) 35.044 3.766 ( -4.475 -10.703 -6.541) 13.318 6.165 ( -3.088 4.294 -2.332) 5.781 6.205 ( -2.246 0.576 5.407) 5.883 6.563 ( 1.995 -0.218 -6.032) 6.357 6.943 ( 1.196 -0.803 1.158) 1.848 7.025 ( 3.361 6.392 1.974) 7.487 7.177 ( -4.863 5.515 -2.783) 7.862 7.465 ( 2.642 -4.865 2.107) 5.923 8.186 ( 4.538 2.362 -2.922) 5.891 8.837 ( -10.553 1.482 4.970) 11.759 10.056 ( -9.981 9.199 -3.693) 14.067 56.132 ( 0.704 -0.189 -0.006) 0.729 56.150 ( 0.237 -0.235 0.025) 0.335 ======================= Grid point 48 (35/372) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 15.914 6.652 8.954) 19.434 2.554 ( 13.422 6.326 0.139) 14.838 2.586 ( 9.490 1.217 -2.143) 9.805 3.088 ( 15.906 -2.501 -7.293) 17.676 3.907 ( -4.236 -12.524 -2.417) 13.440 4.072 ( 25.766 -9.780 5.218) 28.049 5.965 ( -7.272 10.795 -9.884) 16.343 6.208 ( 0.204 1.568 8.823) 8.964 6.560 ( 2.273 2.045 -2.750) 4.113 6.906 ( 0.737 4.923 0.264) 4.985 6.958 ( -1.341 7.007 3.120) 7.786 7.092 ( 3.244 0.383 -0.510) 3.307 7.590 ( 4.107 -5.420 -0.199) 6.803 8.141 ( 2.242 6.376 -5.109) 8.473 8.739 ( -9.766 -0.409 8.233) 12.780 9.738 ( -9.048 15.239 -5.493) 18.554 56.142 ( 0.589 -0.287 -0.052) 0.658 56.158 ( 0.242 -0.415 0.076) 0.486 ======================= Grid point 49 (36/372) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 13.132 -1.223 1.352) 13.258 2.511 ( 10.103 1.193 -7.888) 12.873 2.795 ( 16.512 1.116 8.530) 18.619 3.248 ( 12.594 -1.725 -7.003) 14.513 4.030 ( -5.700 -8.270 0.978) 10.092 4.407 ( 16.084 -2.785 1.594) 16.401 5.607 ( -8.678 17.692 -13.613) 23.951 6.211 ( 1.806 3.040 9.859) 10.474 6.527 ( 2.082 3.361 0.141) 3.957 6.815 ( -1.518 6.381 6.797) 9.445 6.892 ( 0.960 0.144 -3.285) 3.425 7.144 ( 5.884 0.174 -0.917) 5.958 7.713 ( 5.247 -3.711 -3.184) 7.172 7.991 ( -1.322 9.545 -4.895) 10.808 8.713 ( -7.653 -3.261 10.670) 13.530 9.363 ( -6.882 17.481 -6.394) 19.845 56.153 ( 0.469 -0.317 -0.090) 0.573 56.168 ( 0.193 -0.463 0.122) 0.516 ======================= Grid point 50 (37/372) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 8.011 -7.097 -4.238) 11.511 2.672 ( 16.236 -4.876 -0.816) 16.972 2.938 ( 13.781 2.866 5.885) 15.256 3.350 ( 9.205 0.541 -5.686) 10.833 4.046 ( -7.078 -0.408 3.455) 7.887 4.488 ( 6.592 7.220 -1.474) 9.887 5.154 ( -9.704 19.308 -14.498) 26.023 6.220 ( 4.678 3.199 9.632) 11.175 6.525 ( 2.454 -0.045 2.811) 3.732 6.732 ( -3.268 3.463 5.183) 7.038 6.916 ( 2.726 -1.409 -2.469) 3.939 7.186 ( 5.432 1.305 -2.337) 6.055 7.700 ( -1.167 8.523 -8.805) 12.309 7.886 ( 2.670 -0.206 1.155) 2.916 8.732 ( -5.336 -1.598 7.903) 9.668 9.020 ( -4.178 13.403 -3.635) 14.502 56.161 ( 0.361 -0.271 -0.118) 0.467 56.177 ( 0.101 -0.375 0.164) 0.421 ======================= Grid point 51 (38/372) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 2.637 -8.669 -6.557) 11.185 2.930 ( 18.077 -1.598 3.846) 18.550 3.049 ( 12.345 0.065 2.462) 12.588 3.379 ( 5.732 3.587 -3.320) 7.533 3.916 ( -5.899 9.301 3.373) 11.519 4.314 ( -1.916 15.115 -1.050) 15.272 4.733 ( -10.562 12.706 -13.504) 21.340 6.274 ( 5.068 0.058 7.437) 9.000 6.592 ( 4.890 -1.181 5.076) 7.147 6.665 ( -3.170 1.831 3.191) 4.856 6.970 ( 2.166 -2.626 0.004) 3.404 7.196 ( 3.711 1.975 -4.297) 6.011 7.490 ( -4.908 8.350 -5.320) 11.050 7.937 ( 3.462 -0.230 -0.149) 3.473 8.578 ( -3.446 13.820 -4.345) 14.891 8.949 ( -1.271 -5.348 7.540) 9.331 56.168 ( 0.254 -0.146 -0.128) 0.320 56.183 ( 0.010 -0.176 0.185) 0.256 ======================= Grid point 52 (39/372) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -0.207 -5.263 -4.863) 7.169 3.069 ( 12.860 4.852 6.458) 15.187 3.170 ( 11.196 6.149 -4.109) 13.418 3.337 ( 0.872 3.294 -0.224) 3.415 3.695 ( 2.834 12.876 1.146) 13.233 4.019 ( -9.820 12.294 1.027) 15.768 4.448 ( -10.410 4.087 -9.364) 14.586 6.355 ( 2.904 -2.470 3.798) 5.381 6.587 ( -0.853 2.567 -1.584) 3.135 6.723 ( 6.955 -0.309 10.689) 12.756 7.048 ( 3.316 -1.374 4.081) 5.435 7.176 ( -1.895 -2.588 -7.824) 8.456 7.323 ( -4.525 4.070 -2.447) 6.559 7.951 ( 2.589 2.290 -0.164) 3.460 8.288 ( -3.984 14.246 -5.603) 15.819 9.105 ( 1.466 -9.704 6.747) 11.910 56.170 ( 0.150 0.023 -0.107) 0.185 56.184 ( -0.050 0.105 0.160) 0.197 ======================= Grid point 53 (40/372) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -0.003 3.220 -1.363) 3.496 2.946 ( 0.128 15.987 3.516) 16.370 3.177 ( 11.500 3.342 -2.819) 12.303 3.274 ( 0.324 7.320 1.192) 7.424 3.572 ( 1.241 12.189 -3.648) 12.784 3.758 ( -6.327 7.070 2.846) 9.905 4.365 ( -6.792 -9.262 -4.146) 12.211 6.441 ( 0.988 -4.759 1.986) 5.251 6.537 ( -0.357 2.055 -1.701) 2.691 6.809 ( 8.290 3.227 8.693) 12.438 7.000 ( -2.784 5.640 -2.472) 6.758 7.232 ( -2.391 1.184 0.559) 2.726 7.323 ( 0.419 -13.654 -1.688) 13.764 7.908 ( 3.447 8.582 1.649) 9.394 8.026 ( -5.958 6.667 -6.190) 10.875 9.319 ( 1.898 -11.834 3.963) 12.623 56.169 ( 0.070 0.184 -0.055) 0.204 56.179 ( -0.066 0.428 0.083) 0.441 ======================= Grid point 54 (41/372) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.000 14.735 -0.000) 14.735 2.776 ( -0.000 4.577 -0.000) 4.577 3.108 ( -0.000 12.873 -0.000) 12.873 3.225 ( -0.000 2.657 -0.000) 2.657 3.259 ( -0.000 17.724 -0.000) 17.724 3.612 ( -0.000 10.243 -0.000) 10.243 4.602 ( 0.000 -23.316 0.000) 23.316 6.500 ( -0.000 2.042 -0.000) 2.042 6.551 ( 0.000 -7.670 0.000) 7.670 6.842 ( -0.000 4.411 -0.000) 4.411 6.863 ( -0.000 3.525 -0.000) 3.525 7.200 ( -0.000 0.409 -0.000) 0.409 7.483 ( -0.000 1.990 -0.000) 1.990 7.821 ( 0.000 -5.456 0.000) 5.456 7.949 ( -0.000 0.803 -0.000) 0.803 9.541 ( 0.000 -12.888 0.000) 12.888 56.166 ( -0.000 0.293 -0.000) 0.293 56.169 ( -0.000 0.742 -0.000) 0.742 ======================= Grid point 61 (42/372) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 10.762 0.000 15.457) 18.835 2.517 ( 21.390 0.000 16.190) 26.826 2.823 ( -0.374 -0.000 -13.794) 13.799 3.019 ( 11.340 0.000 -12.227) 16.676 3.612 ( 0.499 0.000 -5.419) 5.442 3.862 ( 34.543 0.000 4.641) 34.854 6.120 ( -6.571 -0.000 -1.103) 6.663 6.276 ( 4.305 0.000 6.467) 7.769 6.547 ( 1.227 0.000 -7.847) 7.942 6.970 ( 2.948 0.000 2.416) 3.811 7.093 ( 0.051 0.000 1.181) 1.182 7.185 ( -2.518 -0.000 -2.077) 3.264 7.460 ( 3.725 0.000 3.044) 4.811 8.242 ( 4.014 0.000 -2.821) 4.906 8.737 ( -13.116 -0.000 4.061) 13.730 10.011 ( -11.273 -0.000 -3.058) 11.680 56.137 ( 0.679 0.000 -0.010) 0.680 56.150 ( 0.243 0.000 0.017) 0.244 ======================= Grid point 62 (43/372) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 9.950 6.965 12.035) 17.098 2.671 ( 0.018 7.974 -13.110) 15.345 2.793 ( 18.439 -0.985 12.430) 22.260 3.117 ( 5.867 -6.766 -14.240) 16.822 3.713 ( 5.493 -6.934 -1.620) 8.993 4.244 ( 27.383 -4.462 2.587) 27.864 6.020 ( -4.441 5.757 -2.602) 7.722 6.293 ( 2.844 4.086 6.419) 8.124 6.567 ( 2.055 -2.701 -5.594) 6.543 6.965 ( 0.725 4.242 1.667) 4.615 7.083 ( -3.040 4.594 -0.902) 5.582 7.125 ( 4.115 1.098 2.777) 5.084 7.555 ( 5.072 -4.526 0.514) 6.818 8.235 ( 2.135 3.917 -4.156) 6.098 8.621 ( -13.607 -1.542 6.273) 15.062 9.817 ( -10.621 8.146 -3.559) 13.850 56.145 ( 0.577 -0.121 -0.033) 0.590 56.155 ( 0.237 -0.250 0.041) 0.347 ======================= Grid point 63 (44/372) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 9.500 6.291 7.590) 13.691 2.573 ( 5.111 0.959 -8.437) 9.911 3.007 ( 15.140 0.605 9.441) 17.853 3.248 ( 4.423 -8.036 -13.770) 16.545 3.873 ( 3.674 -5.800 1.201) 6.970 4.537 ( 16.988 -2.229 -1.143) 17.172 5.792 ( -3.212 15.823 -5.675) 17.114 6.288 ( 1.742 1.743 7.469) 7.865 6.604 ( 3.048 1.049 -0.509) 3.263 6.901 ( -0.157 3.027 -1.820) 3.536 6.939 ( -1.664 7.842 1.989) 8.259 7.195 ( 5.032 -0.988 1.328) 5.297 7.694 ( 6.860 -4.891 -2.938) 8.923 8.117 ( -1.571 8.932 -3.733) 9.807 8.571 ( -11.686 -5.265 8.561) 15.413 9.526 ( -8.202 13.378 -3.935) 16.178 56.153 ( 0.459 -0.208 -0.060) 0.507 56.163 ( 0.186 -0.404 0.075) 0.451 ======================= Grid point 64 (45/372) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 7.243 2.393 2.679) 8.085 2.701 ( 11.134 -7.486 -1.146) 13.465 3.147 ( 12.057 2.456 6.756) 14.037 3.370 ( 4.392 -6.319 -12.205) 14.428 3.957 ( -1.618 -1.693 3.439) 4.161 4.638 ( 6.939 3.870 -4.990) 9.382 5.416 ( -2.884 23.504 -5.873) 24.398 6.313 ( 2.106 0.927 6.665) 7.051 6.596 ( 3.294 3.366 4.276) 6.362 6.803 ( -2.019 6.255 3.757) 7.571 6.894 ( 1.063 -1.512 -5.969) 6.248 7.253 ( 4.767 0.470 0.040) 4.790 7.785 ( 4.217 3.092 -10.377) 11.620 7.943 ( -0.947 5.671 3.672) 6.822 8.602 ( -8.739 -7.807 8.119) 14.256 9.208 ( -5.005 15.282 -3.359) 16.428 56.161 ( 0.355 -0.243 -0.085) 0.438 56.172 ( 0.094 -0.429 0.111) 0.453 ======================= Grid point 65 (46/372) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 3.504 -1.666 -1.224) 4.068 2.986 ( 12.584 -10.157 2.970) 16.442 3.227 ( 9.632 3.461 5.030) 11.405 3.464 ( 6.855 -2.486 -9.516) 11.988 3.909 ( -8.173 2.848 4.269) 9.650 4.532 ( 0.227 10.930 -5.687) 12.323 4.951 ( -3.412 26.395 -4.884) 27.059 6.334 ( 1.959 0.933 3.534) 4.147 6.635 ( 4.235 -1.523 7.924) 9.112 6.704 ( -1.722 4.781 2.401) 5.621 6.924 ( 0.594 -2.984 -5.897) 6.635 7.276 ( 4.296 2.305 -0.719) 4.928 7.589 ( -3.941 11.790 -6.254) 13.916 7.965 ( 3.370 -0.274 0.952) 3.513 8.673 ( -3.655 -3.195 4.035) 6.313 8.936 ( -2.911 9.424 -0.373) 9.870 56.167 ( 0.239 -0.196 -0.091) 0.322 56.179 ( 0.015 -0.340 0.124) 0.362 ======================= Grid point 66 (47/372) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 0.509 -4.979 -2.176) 5.457 3.237 ( 7.477 -4.485 2.530) 9.079 3.272 ( 5.622 1.550 2.930) 6.526 3.511 ( 11.091 8.179 -5.364) 14.788 3.762 ( -10.786 1.025 3.228) 11.306 4.256 ( -1.928 20.154 -2.304) 20.377 4.513 ( -4.377 18.154 -3.944) 19.086 6.354 ( 0.967 -0.692 1.239) 1.717 6.622 ( -1.008 3.648 0.473) 3.814 6.786 ( 5.845 -6.108 10.220) 13.263 6.957 ( -1.532 -4.096 -6.247) 7.626 7.251 ( 3.888 6.936 -1.335) 8.063 7.354 ( -5.340 7.391 -2.532) 9.464 7.984 ( 1.148 0.711 -0.162) 1.360 8.518 ( -0.850 15.888 -1.336) 15.966 8.961 ( -0.742 -9.691 3.050) 10.187 56.171 ( 0.110 -0.085 -0.061) 0.151 56.183 ( -0.016 -0.145 0.085) 0.169 ======================= Grid point 67 (48/372) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 0.000 -5.126 0.000) 5.126 3.266 ( -0.000 17.249 -0.000) 17.249 3.269 ( -0.000 2.043 -0.000) 2.043 3.343 ( -0.000 3.662 -0.000) 3.662 3.764 ( 0.000 -1.835 0.000) 1.835 3.878 ( -0.000 21.567 -0.000) 21.567 4.286 ( -0.000 5.302 -0.000) 5.302 6.388 ( 0.000 -2.644 0.000) 2.644 6.568 ( -0.000 2.498 -0.000) 2.498 6.926 ( -0.000 0.817 -0.000) 0.817 7.041 ( 0.000 -8.459 0.000) 8.459 7.111 ( -0.000 3.791 -0.000) 3.791 7.265 ( -0.000 2.658 -0.000) 2.658 7.975 ( -0.000 0.816 -0.000) 0.816 8.229 ( -0.000 17.774 -0.000) 17.774 9.143 ( 0.000 -11.469 0.000) 11.469 56.172 ( -0.000 0.050 -0.000) 0.050 56.184 ( -0.000 0.133 -0.000) 0.133 ======================= Grid point 76 (49/372) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 5.557 0.000 9.616) 11.106 2.716 ( -1.255 -0.000 -11.815) 11.882 2.919 ( -1.777 -0.000 -8.615) 8.796 3.041 ( 13.805 0.000 3.379) 14.212 3.786 ( 15.148 0.000 -0.590) 15.160 4.477 ( 22.265 0.000 0.553) 22.272 6.047 ( -0.069 -0.000 2.595) 2.596 6.408 ( 4.199 0.000 5.909) 7.249 6.505 ( -0.021 -0.000 -8.969) 8.969 7.059 ( -2.537 -0.000 0.316) 2.557 7.065 ( 4.463 0.000 4.020) 6.006 7.181 ( 1.034 0.000 1.048) 1.472 7.565 ( 5.555 0.000 -1.905) 5.873 8.273 ( 0.677 0.000 -3.601) 3.665 8.476 ( -14.914 -0.000 6.625) 16.319 9.761 ( -10.587 -0.000 -3.007) 11.006 56.149 ( 0.493 0.000 -0.033) 0.494 56.155 ( 0.216 0.000 0.032) 0.218 ======================= Grid point 77 (50/372) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 4.223 4.224 6.809) 9.058 2.609 ( 1.291 3.004 -7.986) 8.629 2.966 ( -5.829 -12.850 -12.808) 19.057 3.215 ( 13.153 0.070 6.862) 14.835 3.942 ( 13.716 0.273 -0.021) 13.718 4.670 ( 13.625 -0.476 -1.843) 13.757 5.998 ( 2.477 9.877 1.792) 10.339 6.369 ( 1.254 4.347 2.264) 5.059 6.582 ( 2.285 -5.914 -2.926) 6.982 6.986 ( -0.333 5.589 1.818) 5.887 7.049 ( 0.015 7.412 0.733) 7.448 7.224 ( 3.835 -1.977 2.626) 5.051 7.667 ( 7.070 -5.691 -5.995) 10.877 8.206 ( -4.018 5.300 -0.138) 6.652 8.389 ( -11.773 -3.746 6.048) 13.756 9.595 ( -8.465 6.761 -2.753) 11.177 56.155 ( 0.376 -0.092 -0.042) 0.390 56.160 ( 0.167 -0.242 0.043) 0.297 ======================= Grid point 78 (51/372) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 3.432 4.791 3.872) 7.051 2.670 ( 7.038 -6.835 -0.495) 9.823 3.090 ( -6.161 -14.282 -11.255) 19.200 3.341 ( 9.430 0.744 4.239) 10.365 4.027 ( 7.557 3.512 1.039) 8.398 4.739 ( 5.428 2.951 -4.204) 7.473 5.772 ( 2.082 20.486 -0.409) 20.596 6.355 ( 0.920 0.621 3.696) 3.859 6.676 ( 3.240 -1.934 1.809) 4.184 6.888 ( 0.165 5.748 -2.214) 6.162 6.912 ( -1.667 6.928 0.645) 7.155 7.295 ( 3.573 -0.831 1.455) 3.946 7.814 ( 8.248 -3.373 -11.023) 14.174 8.052 ( -4.375 7.568 6.317) 10.785 8.387 ( -9.974 -7.757 4.947) 13.569 9.367 ( -5.016 11.244 -2.084) 12.487 56.160 ( 0.275 -0.186 -0.056) 0.336 56.166 ( 0.074 -0.371 0.064) 0.383 ======================= Grid point 79 (52/372) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 1.865 3.335 1.061) 3.966 2.923 ( 8.210 -11.397 3.781) 14.546 3.230 ( -3.814 -12.835 -6.828) 15.030 3.417 ( 5.258 -0.268 0.861) 5.335 3.980 ( 0.736 7.833 1.428) 7.996 4.665 ( 0.560 7.700 -3.679) 8.552 5.389 ( 0.651 27.445 -0.688) 27.461 6.367 ( 0.514 0.398 1.829) 1.941 6.708 ( 3.099 3.230 7.010) 8.317 6.792 ( -0.510 6.398 0.868) 6.476 6.847 ( -1.132 -3.274 -6.823) 7.652 7.331 ( 2.287 0.371 0.517) 2.374 7.741 ( -0.878 11.322 -5.478) 12.608 8.009 ( 2.721 0.973 2.301) 3.693 8.488 ( -4.931 -12.232 3.288) 13.592 9.121 ( -1.882 13.678 -1.025) 13.845 56.165 ( 0.148 -0.212 -0.047) 0.263 56.173 ( 0.010 -0.405 0.057) 0.409 ======================= Grid point 80 (53/372) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -0.000 0.025 -0.000) 0.025 3.152 ( 0.000 -9.481 0.000) 9.481 3.336 ( 0.000 -0.816 0.000) 0.816 3.521 ( 0.000 -10.349 0.000) 10.349 3.814 ( -0.000 11.973 -0.000) 11.973 4.496 ( -0.000 12.175 -0.000) 12.175 4.912 ( -0.000 29.801 -0.000) 29.801 6.362 ( -0.000 0.638 -0.000) 0.638 6.693 ( -0.000 5.413 -0.000) 5.413 6.733 ( 0.000 -3.509 0.000) 3.509 6.891 ( 0.000 -3.125 0.000) 3.125 7.332 ( -0.000 1.235 -0.000) 1.235 7.508 ( -0.000 14.084 -0.000) 14.084 8.007 ( -0.000 1.204 -0.000) 1.204 8.647 ( 0.000 -5.189 0.000) 5.189 8.903 ( -0.000 8.413 -0.000) 8.413 56.169 ( 0.000 -0.169 0.000) 0.169 56.180 ( 0.000 -0.330 0.000) 0.330 ======================= Grid point 91 (54/372) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 1.691 0.000 4.335) 4.653 2.633 ( -0.709 -0.000 -6.741) 6.779 2.720 ( -5.460 -0.000 -10.151) 11.526 3.355 ( 9.147 0.000 5.895) 10.882 4.090 ( 12.688 0.000 -0.700) 12.707 4.777 ( 8.357 0.000 -1.495) 8.489 6.142 ( 5.124 0.000 5.736) 7.691 6.435 ( -1.230 -0.000 -7.986) 8.080 6.510 ( 2.590 0.000 3.204) 4.120 7.022 ( -1.212 -0.000 0.467) 1.299 7.206 ( 0.613 0.000 0.934) 1.118 7.208 ( 5.792 0.000 6.583) 8.769 7.635 ( 4.756 0.000 -11.584) 12.522 8.172 ( -11.891 -0.000 9.539) 15.244 8.300 ( -2.645 -0.000 -1.615) 3.099 9.561 ( -6.694 -0.000 -2.013) 6.990 56.157 ( 0.254 0.000 -0.028) 0.255 56.159 ( 0.127 0.000 0.025) 0.130 ======================= Grid point 92 (55/372) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 0.883 2.988 2.098) 3.757 2.631 ( 3.619 -4.293 -0.033) 5.615 2.761 ( -6.089 -11.220 -8.149) 15.145 3.438 ( 4.735 0.272 3.026) 5.625 4.166 ( 6.454 3.121 -0.241) 7.173 4.817 ( 3.232 2.027 -1.521) 4.107 6.088 ( 2.972 13.748 1.994) 14.207 6.378 ( -0.202 0.957 -0.632) 1.165 6.612 ( 1.198 -6.562 -0.380) 6.681 6.981 ( -0.428 3.886 0.529) 3.946 7.072 ( 0.670 12.248 1.127) 12.318 7.312 ( 2.536 -1.371 2.203) 3.629 7.743 ( 4.953 -9.953 -10.121) 15.034 8.088 ( -8.019 1.228 10.113) 12.965 8.262 ( -2.182 0.824 -1.793) 2.942 9.456 ( -3.315 5.679 -1.085) 6.664 56.160 ( 0.143 -0.103 -0.026) 0.177 56.162 ( 0.047 -0.213 0.026) 0.220 ======================= Grid point 93 (56/372) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -0.000 4.210 -0.000) 4.210 2.808 ( 0.000 -9.815 0.000) 9.815 2.914 ( 0.000 -16.340 0.000) 16.340 3.461 ( -0.000 0.710 -0.000) 0.710 4.116 ( -0.000 6.604 -0.000) 6.604 4.770 ( -0.000 5.101 -0.000) 5.101 5.804 ( -0.000 22.247 -0.000) 22.247 6.375 ( -0.000 0.034 -0.000) 0.034 6.727 ( 0.000 -6.462 0.000) 6.462 6.875 ( -0.000 10.984 -0.000) 10.984 6.897 ( -0.000 6.090 -0.000) 6.090 7.342 ( 0.000 -0.551 0.000) 0.551 7.854 ( -0.000 1.501 -0.000) 1.501 8.048 ( -0.000 1.096 -0.000) 1.096 8.278 ( 0.000 -7.648 0.000) 7.648 9.307 ( -0.000 10.287 -0.000) 10.287 56.163 ( 0.000 -0.184 0.000) 0.184 56.167 ( 0.000 -0.355 0.000) 0.355 ======================= Grid point 108 (57/372) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 0.000 0.000 0.000) 0.000 2.603 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 -0.000) 0.000 4.228 ( 0.000 0.000 -0.000) 0.000 4.850 ( 0.000 0.000 -0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.376 ( 0.000 0.000 -0.000) 0.000 6.548 ( 0.000 0.000 -0.000) 0.000 7.012 ( 0.000 0.000 0.000) 0.000 7.216 ( 0.000 0.000 0.000) 0.000 7.323 ( -0.000 -0.000 -0.000) 0.000 7.618 ( 0.000 0.000 0.000) 0.000 8.067 ( 0.000 0.000 -0.000) 0.000 8.270 ( 0.000 0.000 0.000) 0.000 9.483 ( 0.000 0.000 -0.000) 0.000 56.159 ( 0.000 0.000 0.000) 0.000 56.161 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 201 (58/372) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( -7.588 -0.000 19.916) 21.313 0.706 ( 17.147 0.000 35.255) 39.204 0.897 ( 5.995 0.000 45.581) 45.974 1.496 ( 1.204 0.000 -7.286) 7.385 3.169 ( -2.984 -0.000 -8.178) 8.705 3.951 ( -0.572 -0.000 -9.316) 9.333 6.269 ( 4.068 0.000 1.244) 4.254 6.328 ( -3.735 -0.000 -2.442) 4.463 6.544 ( 3.589 0.000 1.460) 3.875 6.681 ( -4.141 -0.000 -1.542) 4.419 7.292 ( -20.091 -0.000 0.153) 20.092 7.416 ( 1.220 0.000 0.830) 1.476 7.620 ( -3.246 -0.000 -0.073) 3.246 8.119 ( -1.466 -0.000 -9.817) 9.926 9.129 ( 2.388 0.000 11.611) 11.854 10.103 ( 14.569 0.000 -3.293) 14.936 56.095 ( -0.025 -0.000 0.254) 0.256 56.137 ( 0.048 0.000 -0.220) 0.226 ======================= Grid point 202 (59/372) ======================= q-point: ( 0.07 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 9.660 21.986 33.823) 41.481 0.601 ( 12.096 -7.859 15.653) 21.285 1.650 ( 16.163 -12.510 -6.286) 21.383 1.703 ( 12.371 -36.775 35.521) 52.604 3.065 ( -4.036 4.776 -14.471) 15.764 3.909 ( 0.090 -0.434 -6.926) 6.941 6.271 ( -1.149 -0.030 -2.362) 2.626 6.347 ( 4.310 0.059 1.717) 4.639 6.520 ( 3.558 6.265 5.590) 9.119 6.665 ( -2.068 -1.458 -2.537) 3.583 7.098 ( -7.931 1.651 6.472) 10.369 7.446 ( 0.776 -0.849 1.184) 1.651 7.519 ( -4.536 6.598 -1.747) 8.195 8.036 ( -1.298 3.714 -8.987) 9.811 9.132 ( 1.385 6.581 11.715) 13.508 10.191 ( 7.015 5.182 -11.935) 14.781 56.099 ( 0.125 -0.404 0.255) 0.494 56.139 ( 0.087 -0.230 -0.194) 0.313 ======================= Grid point 203 (60/372) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.397 -11.499 7.222) 13.584 0.988 ( 19.696 -11.163 11.313) 25.308 2.008 ( 14.211 -15.486 -4.092) 21.413 2.503 ( 10.682 -23.102 16.993) 30.603 2.871 ( 0.591 1.434 -11.399) 11.504 3.959 ( 2.487 -5.313 0.337) 5.876 6.250 ( -4.104 -1.431 -3.619) 5.656 6.340 ( 8.998 11.657 3.627) 15.166 6.510 ( -0.688 -0.863 8.129) 8.204 6.643 ( -2.573 0.511 -3.853) 4.661 7.046 ( -2.725 1.089 -0.162) 2.939 7.307 ( -4.807 10.659 -1.067) 11.741 7.481 ( 2.300 -0.109 0.214) 2.313 7.943 ( 0.798 3.603 -6.262) 7.268 9.031 ( 0.625 10.889 10.993) 15.486 10.028 ( -0.688 12.273 -13.707) 18.411 56.111 ( 0.216 -0.666 0.191) 0.725 56.145 ( 0.148 -0.362 -0.102) 0.404 ======================= Grid point 204 (61/372) ======================= q-point: ( 0.21 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -1.685 -28.767 -11.170) 30.906 1.394 ( 17.682 -9.735 9.016) 22.107 2.365 ( 4.913 -8.758 -5.933) 11.663 2.449 ( 4.458 2.866 -20.618) 21.288 3.349 ( 14.751 -23.452 21.539) 35.093 4.102 ( 3.396 -5.954 4.961) 8.462 6.131 ( -3.272 12.974 -6.352) 14.812 6.218 ( 4.344 11.066 4.876) 12.850 6.547 ( -3.225 -0.316 5.515) 6.396 6.584 ( -1.832 -1.319 -3.956) 4.555 6.990 ( -0.849 3.688 -3.221) 4.970 7.120 ( -3.372 4.405 0.810) 5.606 7.506 ( 3.584 0.843 0.201) 3.687 7.893 ( 2.115 2.941 -5.067) 6.229 8.892 ( 1.664 11.065 11.968) 16.384 9.716 ( -4.899 15.793 -16.311) 23.227 56.126 ( 0.232 -0.750 0.067) 0.788 56.153 ( 0.222 -0.469 -0.002) 0.519 ======================= Grid point 205 (62/372) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -1.609 -32.133 -15.484) 35.705 1.685 ( 11.647 -4.929 2.048) 12.812 2.288 ( 3.079 -2.438 -12.101) 12.722 2.723 ( 10.304 -11.903 -2.553) 15.949 3.845 ( 10.813 -12.216 15.280) 22.353 4.211 ( 2.846 -0.344 6.442) 7.051 5.782 ( -4.112 20.143 -8.248) 22.152 6.046 ( 0.067 12.715 1.027) 12.757 6.531 ( -2.914 -3.422 -1.510) 4.741 6.627 ( 1.307 -1.871 3.713) 4.358 6.893 ( 0.527 5.780 -0.283) 5.811 7.108 ( -3.086 -4.551 0.262) 5.505 7.528 ( 4.508 1.558 0.034) 4.770 7.827 ( 1.072 5.223 -6.267) 8.229 8.812 ( 4.102 7.341 14.329) 16.614 9.332 ( -7.027 16.027 -18.068) 25.153 56.140 ( 0.202 -0.691 -0.068) 0.723 56.164 ( 0.266 -0.496 0.092) 0.570 ======================= Grid point 206 (63/372) ======================= q-point: ( 0.36 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.447 -19.956 -9.702) 22.194 1.896 ( 5.789 -16.021 -5.807) 17.997 2.440 ( 6.556 -9.747 -1.389) 11.829 2.981 ( 7.108 -9.393 -0.120) 11.780 3.978 ( 1.699 9.882 6.600) 12.004 4.255 ( 5.266 1.141 6.636) 8.549 5.395 ( -6.184 15.083 -12.134) 20.322 5.883 ( 2.599 8.612 4.400) 10.015 6.571 ( -3.061 -4.880 -1.248) 5.895 6.688 ( 4.277 -0.473 3.402) 5.485 6.823 ( 0.416 3.486 1.427) 3.790 7.162 ( -3.691 -5.460 -0.364) 6.600 7.545 ( 4.285 2.124 0.059) 4.783 7.723 ( 0.781 5.025 -5.483) 7.478 8.818 ( 4.524 4.346 13.712) 15.079 8.963 ( -6.362 12.094 -16.680) 21.563 56.151 ( 0.156 -0.542 -0.169) 0.588 56.175 ( 0.243 -0.400 0.167) 0.497 ======================= Grid point 207 (64/372) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 2.152 -6.468 0.095) 6.817 2.256 ( 0.740 -21.918 -8.533) 23.532 2.672 ( 4.864 -11.820 -2.044) 12.944 3.174 ( 3.961 -6.443 2.564) 7.986 3.721 ( -1.604 19.891 3.447) 20.251 4.261 ( 3.378 5.644 3.138) 7.287 5.116 ( -8.183 4.624 -14.804) 17.535 5.855 ( 7.090 4.214 9.612) 12.665 6.607 ( -3.701 -4.438 -1.475) 5.964 6.716 ( 2.564 3.019 1.939) 4.410 6.823 ( 2.964 -0.428 3.532) 4.631 7.188 ( -2.664 -2.106 -2.362) 4.136 7.542 ( 0.665 1.063 0.124) 1.260 7.682 ( 2.510 0.547 -0.993) 2.754 8.647 ( -6.586 7.858 -14.891) 18.079 8.908 ( 5.896 0.641 12.082) 13.459 56.159 ( 0.102 -0.333 -0.222) 0.413 56.182 ( 0.148 -0.188 0.222) 0.326 ======================= Grid point 208 (65/372) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -1.536 -1.019 1.794) 2.573 2.486 ( 0.170 -7.015 -1.928) 7.277 2.903 ( 1.431 -12.993 -7.220) 14.932 3.235 ( 0.260 7.957 4.458) 9.124 3.444 ( -0.999 6.362 2.094) 6.772 4.202 ( 0.379 4.219 0.843) 4.319 4.976 ( -9.530 -4.827 -14.769) 18.227 5.934 ( 10.138 1.671 11.666) 15.545 6.636 ( -3.643 -4.327 -1.418) 5.831 6.685 ( 0.631 3.151 1.900) 3.733 6.865 ( 3.283 1.828 4.294) 5.706 7.173 ( 0.959 1.066 -3.876) 4.133 7.539 ( -2.813 -1.922 0.746) 3.488 7.730 ( 1.758 -2.862 2.855) 4.409 8.442 ( -6.094 3.541 -14.899) 16.482 9.035 ( 6.942 -3.659 11.723) 14.107 56.163 ( 0.045 -0.089 -0.225) 0.246 56.185 ( -0.001 0.099 0.239) 0.259 ======================= Grid point 209 (66/372) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -5.530 3.429 1.017) 6.586 2.509 ( 1.833 4.284 3.890) 6.070 2.988 ( 0.481 10.510 6.593) 12.417 3.021 ( -4.556 3.666 -2.023) 6.188 3.512 ( -0.954 -10.418 -6.814) 12.485 4.103 ( -6.023 5.491 -2.860) 8.637 5.006 ( -8.000 -15.497 -11.207) 20.731 6.078 ( 10.874 -1.547 10.807) 15.408 6.631 ( 0.608 4.001 0.333) 4.061 6.668 ( -3.883 -3.459 1.035) 5.302 6.862 ( 2.223 2.877 4.092) 5.473 7.151 ( 4.360 3.855 -3.274) 6.678 7.544 ( -5.753 -3.414 0.454) 6.705 7.828 ( 0.727 -5.919 5.109) 7.853 8.301 ( -6.003 0.048 -15.074) 16.225 9.251 ( 8.150 -8.595 10.729) 15.981 56.162 ( -0.009 0.160 -0.173) 0.236 56.181 ( -0.170 0.396 0.194) 0.472 ======================= Grid point 210 (67/372) ======================= q-point: (-0.36 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -9.250 7.516 -0.695) 11.939 2.419 ( 3.771 14.182 9.747) 17.617 2.778 ( 0.877 15.109 8.794) 17.504 2.974 ( -5.371 -3.111 3.460) 7.106 3.605 ( -5.030 -7.835 -16.090) 18.589 3.850 ( -13.082 12.587 -4.490) 18.701 5.233 ( -5.012 -23.659 -8.691) 25.699 6.263 ( 8.741 -3.813 7.499) 12.131 6.563 ( 0.371 4.754 0.948) 4.862 6.697 ( -1.091 -2.899 4.686) 5.617 6.866 ( 1.407 -0.270 2.067) 2.515 7.109 ( 5.094 5.993 -2.067) 8.133 7.528 ( -7.622 -3.107 -0.751) 8.265 7.944 ( -0.580 -4.289 4.129) 5.982 8.246 ( -4.535 -7.459 -12.664) 15.381 9.536 ( 8.371 -11.503 8.396) 16.519 56.156 ( -0.066 0.415 -0.042) 0.422 56.170 ( -0.303 0.592 0.054) 0.667 ======================= Grid point 211 (68/372) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -12.049 11.040 -1.161) 16.383 2.177 ( 4.646 25.125 17.615) 31.034 2.508 ( -6.607 16.157 -5.151) 18.200 3.113 ( 3.157 -10.101 16.975) 20.004 3.389 ( -19.046 21.319 -5.028) 29.026 3.564 ( -8.477 -4.245 -21.392) 23.399 5.576 ( -2.480 -24.550 -7.129) 25.684 6.369 ( 3.333 1.091 1.942) 4.009 6.503 ( 0.159 3.155 1.702) 3.588 6.796 ( 3.148 -3.570 9.843) 10.934 6.936 ( 1.341 -7.532 0.438) 7.663 7.058 ( 4.124 4.885 -1.219) 6.508 7.489 ( -7.758 -2.610 -2.138) 8.460 7.954 ( -2.549 -0.456 -2.417) 3.542 8.388 ( -1.164 -14.750 -4.054) 15.341 9.829 ( 7.150 -11.411 4.083) 14.071 56.146 ( -0.228 0.774 0.176) 0.826 56.158 ( -0.248 0.491 -0.172) 0.576 ======================= Grid point 212 (69/372) ======================= q-point: (-0.21 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -13.756 13.250 -0.027) 19.099 1.841 ( 6.597 30.911 24.227) 39.824 2.067 ( -14.058 21.407 -15.059) 29.710 2.767 ( -21.842 25.851 -1.321) 33.868 3.373 ( 4.653 -0.493 15.734) 16.415 3.502 ( -6.392 -14.214 -20.168) 25.488 5.889 ( -1.867 -18.279 -6.166) 19.381 6.346 ( 1.930 3.822 -0.121) 4.283 6.475 ( -0.564 1.238 3.551) 3.802 6.866 ( 0.166 0.767 6.102) 6.152 7.032 ( 2.735 0.076 0.315) 2.754 7.167 ( 2.123 -13.994 3.283) 14.529 7.449 ( -5.809 -2.231 -2.903) 6.867 7.947 ( -0.869 -2.971 -3.895) 4.975 8.619 ( 0.029 -14.137 0.058) 14.137 10.064 ( 4.932 -8.973 -1.685) 10.377 56.128 ( -0.377 0.930 0.204) 1.024 56.149 ( -0.096 0.340 -0.185) 0.399 ======================= Grid point 213 (70/372) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -13.577 14.800 1.106) 20.114 1.404 ( -20.538 29.482 -10.680) 37.484 1.486 ( 5.454 31.469 22.505) 39.071 2.157 ( -18.168 22.416 1.694) 28.903 3.308 ( -4.016 2.076 -8.052) 9.235 3.751 ( 3.138 -13.064 0.840) 13.462 6.090 ( -1.913 -11.327 -4.531) 12.349 6.320 ( 3.403 2.114 0.431) 4.029 6.470 ( -2.171 -0.534 4.465) 4.993 6.829 ( -3.284 2.467 2.227) 4.672 7.084 ( -0.260 -3.332 5.617) 6.536 7.401 ( -0.892 -7.105 0.635) 7.189 7.444 ( -1.210 -6.897 -0.030) 7.002 8.015 ( 1.429 -6.263 -5.377) 8.377 8.836 ( 0.992 -10.866 3.927) 11.596 10.198 ( 2.293 -4.421 -8.491) 9.844 56.111 ( -0.347 0.778 0.192) 0.873 56.143 ( -0.013 0.248 -0.138) 0.284 ======================= Grid point 214 (71/372) ======================= q-point: (-0.07 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( -7.929 16.625 2.840) 18.637 0.708 ( -30.433 13.998 8.564) 34.575 1.138 ( 11.041 33.832 35.088) 49.977 1.696 ( -11.119 14.632 -2.406) 18.534 3.222 ( -3.568 0.269 -7.789) 8.572 3.927 ( 1.442 -5.934 -4.408) 7.532 6.204 ( -1.263 -6.389 -2.101) 6.843 6.350 ( 5.304 1.328 0.342) 5.479 6.479 ( -5.684 -4.813 3.961) 8.436 6.752 ( -4.411 2.247 0.275) 4.958 7.202 ( -3.506 -11.737 10.057) 15.849 7.418 ( 0.425 -0.347 -0.322) 0.637 7.590 ( -1.720 -6.926 1.327) 7.259 8.107 ( 0.799 -5.118 -8.085) 9.602 9.015 ( 2.218 -6.293 8.692) 10.958 10.173 ( 0.253 5.428 -13.701) 14.739 56.099 ( -0.208 0.436 0.218) 0.530 56.139 ( 0.037 0.166 -0.163) 0.236 ======================= Grid point 216 (72/372) ======================= q-point: ( 0.07 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 20.176 0.000 15.147) 25.229 1.269 ( 15.763 0.000 32.254) 35.900 1.460 ( 21.935 0.000 35.242) 41.511 1.727 ( 22.729 0.000 -5.408) 23.364 3.039 ( -2.570 -0.000 -13.044) 13.295 3.844 ( -2.435 -0.000 -13.637) 13.853 6.202 ( -4.475 -0.000 -0.854) 4.556 6.426 ( 5.184 0.000 4.871) 7.114 6.588 ( -3.289 -0.000 -4.934) 5.930 6.694 ( 7.595 0.000 1.039) 7.666 7.030 ( -7.153 -0.000 7.744) 10.542 7.436 ( -0.235 -0.000 1.209) 1.231 7.512 ( -5.896 -0.000 -2.020) 6.232 8.027 ( -0.392 -0.000 -8.100) 8.110 9.224 ( -1.518 -0.000 11.497) 11.597 10.300 ( 6.971 0.000 -14.109) 15.737 56.099 ( 0.308 0.000 0.273) 0.412 56.138 ( 0.135 0.000 -0.232) 0.268 ======================= Grid point 217 (73/372) ======================= q-point: ( 0.14 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 11.773 17.456 30.501) 37.062 1.256 ( 32.030 9.497 14.450) 36.399 1.977 ( 19.968 -8.745 -0.708) 21.810 2.278 ( 19.770 -29.125 21.038) 41.008 2.901 ( -0.791 6.612 -15.233) 16.625 3.836 ( -1.514 -7.440 -11.030) 13.391 6.177 ( -2.570 -0.800 -0.158) 2.696 6.486 ( 2.458 -0.254 2.524) 3.532 6.518 ( -4.710 1.322 0.768) 4.952 6.729 ( 7.083 5.001 2.477) 9.018 7.017 ( -2.638 -0.562 1.220) 2.961 7.389 ( -5.864 6.272 -1.562) 8.727 7.456 ( -0.764 -2.489 0.300) 2.620 7.990 ( 2.241 2.463 -5.968) 6.834 9.184 ( -3.720 5.301 10.200) 12.083 10.200 ( 1.503 11.130 -13.421) 17.500 56.107 ( 0.421 -0.327 0.234) 0.582 56.141 ( 0.173 -0.260 -0.190) 0.366 ======================= Grid point 218 (74/372) ======================= q-point: ( 0.21 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 14.484 13.175 24.141) 31.083 1.582 ( 29.269 -1.064 9.103) 30.670 2.309 ( 14.377 -7.941 -2.838) 16.668 2.498 ( 1.117 7.045 -19.721) 20.971 3.180 ( 17.995 -24.732 17.690) 35.333 3.969 ( 0.101 -11.943 -5.596) 13.189 6.134 ( -3.737 3.424 -4.242) 6.610 6.416 ( -4.308 2.760 -0.169) 5.119 6.535 ( -2.556 -0.437 7.463) 7.900 6.693 ( 8.978 10.101 2.888) 13.819 6.985 ( -1.750 0.225 -2.940) 3.429 7.203 ( -4.795 8.531 0.293) 9.790 7.502 ( 0.539 -3.071 -0.694) 3.194 7.960 ( 3.878 3.284 -4.761) 6.963 9.070 ( -3.658 7.112 10.191) 12.954 9.912 ( -2.087 17.458 -14.154) 22.571 56.119 ( 0.444 -0.510 0.137) 0.690 56.148 ( 0.225 -0.439 -0.091) 0.502 ======================= Grid point 219 (75/372) ======================= q-point: ( 0.29 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 12.505 -6.973 7.682) 16.249 1.861 ( 21.357 3.514 1.495) 21.696 2.280 ( 4.278 1.647 -11.613) 12.485 2.665 ( 14.270 -9.409 -4.249) 17.613 3.768 ( 14.428 -18.257 13.931) 27.121 4.148 ( 0.142 -9.997 -1.887) 10.174 5.902 ( -8.883 13.142 -13.237) 20.660 6.329 ( -2.199 9.504 11.985) 15.453 6.470 ( -1.490 2.241 -2.927) 3.976 6.681 ( 7.109 2.835 4.564) 8.911 6.973 ( 1.111 1.273 -2.391) 2.927 7.051 ( -4.305 3.447 2.976) 6.267 7.556 ( 2.313 -2.080 -1.613) 3.504 7.911 ( 2.571 5.233 -5.618) 8.097 8.975 ( -1.423 5.158 12.194) 13.316 9.520 ( -4.136 20.030 -15.405) 25.605 56.132 ( 0.402 -0.553 0.011) 0.684 56.159 ( 0.268 -0.537 0.020) 0.601 ======================= Grid point 220 (76/372) ======================= q-point: ( 0.36 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 7.871 -18.647 -2.879) 20.444 1.958 ( 15.621 2.083 -4.922) 16.510 2.409 ( 11.528 -5.016 1.366) 12.646 2.927 ( 10.687 -8.056 -2.216) 13.565 4.104 ( 6.728 -2.455 6.694) 9.803 4.267 ( 0.894 -5.491 0.972) 5.648 5.494 ( -10.895 16.418 -16.873) 25.941 6.149 ( 2.242 13.547 11.379) 17.834 6.478 ( -0.593 -3.156 -1.224) 3.436 6.743 ( 5.536 -0.459 3.814) 6.738 6.902 ( -0.407 5.603 1.256) 5.757 7.050 ( -2.088 -3.922 0.858) 4.525 7.599 ( 3.077 -0.081 -2.213) 3.791 7.810 ( 1.306 6.266 -5.427) 8.392 8.950 ( -0.198 3.216 12.694) 13.097 9.106 ( -3.874 17.910 -14.584) 23.419 56.145 ( 0.336 -0.498 -0.101) 0.609 56.170 ( 0.259 -0.513 0.119) 0.586 ======================= Grid point 221 (77/372) ======================= q-point: ( 0.43 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 3.206 -19.308 -6.171) 20.523 2.139 ( 17.259 -3.857 -0.282) 17.687 2.609 ( 9.249 -5.208 1.820) 10.770 3.131 ( 7.017 -6.114 0.071) 9.307 4.022 ( -0.199 15.203 3.059) 15.509 4.341 ( 0.812 0.192 0.072) 0.838 5.090 ( -10.722 11.462 -16.563) 22.818 6.065 ( 6.891 7.053 11.821) 15.394 6.519 ( -0.792 -2.780 -0.500) 2.934 6.799 ( 1.755 3.574 0.069) 3.982 6.847 ( 2.044 -1.241 4.730) 5.300 7.100 ( -1.533 -4.007 -0.777) 4.360 7.576 ( -0.512 3.560 -3.034) 4.705 7.753 ( 4.551 2.442 -1.481) 5.373 8.715 ( -5.324 14.085 -12.603) 19.636 9.004 ( 2.297 0.733 11.100) 11.359 56.155 ( 0.267 -0.369 -0.177) 0.489 56.180 ( 0.181 -0.353 0.196) 0.443 ======================= Grid point 222 (78/372) ======================= q-point: ( 0.50 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 0.889 -8.898 -3.090) 9.461 2.397 ( 14.838 -6.543 -1.193) 16.260 2.778 ( 6.387 -5.455 -0.919) 8.450 3.264 ( 3.128 -3.063 1.733) 4.708 3.709 ( -1.480 20.679 2.864) 20.929 4.279 ( -2.367 5.038 -1.551) 5.778 4.814 ( -9.883 3.319 -13.163) 16.791 6.112 ( 9.250 2.810 10.378) 14.183 6.547 ( -1.116 -2.197 -0.814) 2.595 6.743 ( -0.588 2.790 1.670) 3.305 6.926 ( 3.760 -0.726 4.898) 6.217 7.143 ( -0.114 -3.514 -3.524) 4.978 7.501 ( -3.320 1.435 -0.513) 3.653 7.775 ( 5.198 1.923 0.920) 5.618 8.431 ( -5.495 8.919 -12.297) 16.154 9.078 ( 3.291 -2.366 10.091) 10.874 56.161 ( 0.196 -0.183 -0.212) 0.342 56.186 ( 0.051 -0.084 0.240) 0.259 ======================= Grid point 223 (79/372) ======================= q-point: (-0.43 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 0.192 2.473 0.307) 2.500 2.597 ( 11.109 -1.163 -1.614) 11.286 2.890 ( 1.555 -3.022 -5.617) 6.565 3.272 ( 0.541 7.704 3.484) 8.473 3.448 ( 0.060 6.984 3.259) 7.707 4.135 ( -6.306 6.414 -2.927) 9.459 4.702 ( -8.870 -6.217 -8.550) 13.800 6.207 ( 9.263 0.709 6.144) 11.138 6.569 ( -1.918 -3.005 -0.748) 3.642 6.707 ( 0.464 3.014 3.784) 4.860 6.956 ( 2.770 2.992 4.844) 6.332 7.202 ( 3.711 -2.793 -4.124) 6.211 7.459 ( -5.086 -0.954 1.537) 5.398 7.796 ( 2.297 0.239 2.275) 3.242 8.223 ( -6.320 4.437 -12.231) 14.465 9.225 ( 4.853 -6.908 8.422) 11.924 56.163 ( 0.130 0.032 -0.204) 0.244 56.185 ( -0.103 0.247 0.232) 0.354 ======================= Grid point 224 (80/372) ======================= q-point: (-0.36 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -1.214 10.018 1.494) 10.201 2.653 ( 9.435 6.494 -2.212) 11.665 2.869 ( -3.456 -0.504 -3.424) 4.891 3.103 ( 1.595 14.525 8.427) 16.868 3.446 ( -0.904 -2.355 -4.061) 4.781 3.911 ( -10.503 10.269 -1.539) 14.769 4.791 ( -7.241 -18.187 -6.870) 20.746 6.314 ( 7.087 -1.704 0.773) 7.330 6.607 ( -1.553 -4.072 -0.994) 4.470 6.675 ( 2.050 4.204 7.741) 9.044 6.937 ( 2.346 3.661 3.730) 5.729 7.248 ( 5.419 2.519 -2.994) 6.684 7.421 ( -5.552 -0.119 0.984) 5.640 7.862 ( -0.618 -6.596 4.131) 7.807 8.076 ( -6.510 0.169 -12.647) 14.225 9.450 ( 5.412 -10.806 6.126) 13.550 56.161 ( 0.084 0.243 -0.149) 0.297 56.177 ( -0.244 0.565 0.164) 0.637 ======================= Grid point 225 (81/372) ======================= q-point: (-0.29 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -3.648 15.186 2.554) 15.825 2.545 ( 4.839 13.240 -8.442) 16.432 2.794 ( 0.095 16.610 8.043) 18.455 2.990 ( -0.160 -5.430 -0.820) 5.494 3.427 ( -3.147 0.563 -2.102) 3.826 3.550 ( -12.994 18.463 0.889) 22.595 5.091 ( -4.127 -26.752 -5.560) 27.633 6.390 ( 2.544 -1.408 -2.649) 3.933 6.610 ( 3.289 4.242 -1.276) 5.518 6.737 ( 1.190 -6.368 9.671) 11.640 6.924 ( 1.541 1.544 3.509) 4.132 7.209 ( 4.486 6.917 -2.208) 8.535 7.356 ( -7.512 -0.745 -1.592) 7.715 7.933 ( -1.152 0.719 -1.973) 2.395 8.101 ( -3.258 -15.548 -3.755) 16.323 9.706 ( 4.104 -12.154 2.315) 13.035 56.156 ( 0.039 0.515 0.016) 0.517 56.164 ( -0.304 0.692 -0.010) 0.756 ======================= Grid point 226 (82/372) ======================= q-point: (-0.21 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -6.171 18.112 4.862) 19.742 2.257 ( -1.711 21.005 -16.718) 26.900 2.464 ( 3.121 26.184 9.955) 28.186 3.016 ( -14.483 24.774 4.549) 29.055 3.114 ( -7.448 -12.455 -20.330) 24.978 3.479 ( 6.877 -0.715 18.524) 19.773 5.483 ( -2.070 -25.576 -4.050) 25.977 6.401 ( 0.538 0.630 -1.187) 1.448 6.563 ( 4.394 5.508 -1.162) 7.141 6.886 ( -1.109 -2.809 7.336) 7.933 6.966 ( 0.325 -8.088 1.026) 8.159 7.127 ( 2.829 5.930 0.126) 6.571 7.309 ( -6.512 -4.153 -3.423) 8.448 7.905 ( 0.075 -0.414 -4.357) 4.377 8.362 ( -0.067 -17.172 1.832) 17.270 9.927 ( 1.483 -11.138 -2.770) 11.573 56.142 ( -0.224 1.012 0.188) 1.054 56.153 ( -0.034 0.379 -0.161) 0.413 ======================= Grid point 227 (83/372) ======================= q-point: (-0.14 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -7.033 19.025 8.017) 21.810 1.667 ( -13.388 32.855 -22.387) 41.951 2.120 ( 6.585 24.847 3.071) 25.887 2.499 ( -4.765 29.971 21.602) 37.251 3.124 ( -8.667 -9.026 -26.302) 29.127 3.689 ( 8.415 -5.057 17.835) 20.359 5.826 ( 0.616 -18.436 -1.672) 18.522 6.391 ( 1.062 1.091 1.020) 1.832 6.512 ( 2.488 4.807 -1.920) 5.743 6.847 ( -4.713 3.032 1.617) 5.833 7.065 ( -1.141 -0.308 3.606) 3.795 7.197 ( -0.492 -13.188 0.871) 13.225 7.342 ( -0.951 -5.003 -1.904) 5.437 7.928 ( 1.032 -3.474 -5.248) 6.378 8.650 ( 1.815 -15.223 5.361) 16.241 10.072 ( -1.242 -8.561 -8.093) 11.846 56.124 ( -0.207 0.999 0.170) 1.034 56.147 ( 0.062 0.329 -0.093) 0.347 ======================= Grid point 228 (84/372) ======================= q-point: (-0.07 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -3.590 18.774 6.304) 20.127 0.867 ( -16.858 32.613 -10.024) 38.056 1.819 ( 9.631 21.056 -3.749) 23.455 2.076 ( 5.602 33.735 31.553) 46.530 3.089 ( -6.445 -5.947 -20.090) 21.920 3.868 ( 4.431 -3.241 5.093) 7.488 6.099 ( 6.424 -10.991 1.439) 12.812 6.400 ( -2.812 -1.341 1.469) 3.444 6.442 ( 2.225 4.405 -0.156) 4.937 6.744 ( -4.981 2.734 -0.980) 5.766 7.084 ( -2.980 -2.720 6.136) 7.344 7.400 ( -3.364 -12.339 -0.115) 12.789 7.412 ( 2.811 -2.489 0.227) 3.761 7.991 ( 0.007 -5.528 -7.591) 9.390 8.921 ( 2.712 -11.812 9.338) 15.300 10.133 ( -1.240 -5.042 -11.830) 12.919 56.108 ( -0.064 0.770 0.205) 0.799 56.143 ( 0.093 0.275 -0.096) 0.306 ======================= Grid point 231 (85/372) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 16.794 0.000 22.053) 27.720 1.796 ( 18.123 0.000 22.933) 29.229 2.192 ( 30.366 0.000 15.777) 34.220 2.209 ( 23.785 0.000 -0.856) 23.801 2.922 ( 1.449 0.000 -13.367) 13.445 3.678 ( -3.723 -0.000 -17.170) 17.569 6.173 ( 1.026 0.000 2.798) 2.980 6.455 ( -5.919 -0.000 -6.650) 8.903 6.510 ( -1.192 -0.000 8.502) 8.585 6.836 ( 5.457 0.000 0.965) 5.542 7.018 ( 1.279 0.000 2.468) 2.780 7.374 ( -6.022 -0.000 -1.202) 6.140 7.426 ( -0.894 -0.000 1.130) 1.441 8.026 ( 4.049 0.000 -4.712) 6.213 9.197 ( -7.369 -0.000 8.393) 11.169 10.256 ( -1.442 -0.000 -13.438) 13.515 56.110 ( 0.559 0.000 0.222) 0.602 56.140 ( 0.228 0.000 -0.206) 0.307 ======================= Grid point 232 (86/372) ======================= q-point: ( 0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 12.984 15.859 27.487) 34.287 1.976 ( 27.667 5.829 13.675) 31.408 2.395 ( 19.947 -0.998 -3.217) 20.229 2.558 ( 3.743 3.469 -13.188) 14.141 3.075 ( 22.417 -17.092 9.086) 29.618 3.706 ( -2.733 -13.028 -14.159) 19.434 6.173 ( 0.362 3.990 0.831) 4.092 6.368 ( -6.151 -0.305 -2.544) 6.664 6.524 ( -2.129 -0.661 5.777) 6.192 6.892 ( 5.962 0.669 2.493) 6.497 6.999 ( 0.674 4.848 0.278) 4.903 7.268 ( -5.287 5.230 0.556) 7.458 7.450 ( 0.435 -2.869 0.494) 2.943 8.040 ( 5.050 2.385 -4.085) 6.919 9.113 ( -8.522 2.546 7.671) 11.745 10.088 ( -3.595 11.324 -13.079) 17.670 56.119 ( 0.597 -0.235 0.160) 0.661 56.144 ( 0.264 -0.276 -0.150) 0.411 ======================= Grid point 233 (87/372) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 14.899 15.600 24.429) 32.590 2.196 ( 20.797 8.950 -2.066) 22.735 2.354 ( 7.675 3.648 -6.726) 10.838 2.681 ( 16.522 -5.883 -5.112) 18.268 3.670 ( 20.323 -19.088 9.762) 29.541 3.896 ( -2.040 -16.282 -9.271) 18.847 5.995 ( -6.488 12.014 -7.633) 15.643 6.357 ( -1.774 -1.329 6.376) 6.751 6.510 ( -1.983 1.797 1.680) 3.160 6.883 ( 3.858 9.437 1.775) 10.349 6.965 ( 3.030 -1.398 1.242) 3.561 7.123 ( -4.025 6.807 3.108) 8.497 7.519 ( 1.942 -3.745 -1.167) 4.377 8.013 ( 3.977 5.139 -4.804) 8.081 9.021 ( -7.025 1.568 9.317) 11.774 9.755 ( -4.363 18.288 -13.123) 22.929 56.130 ( 0.553 -0.354 0.060) 0.659 56.153 ( 0.288 -0.479 -0.052) 0.561 ======================= Grid point 234 (88/372) ======================= q-point: ( 0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 14.500 4.852 15.645) 21.875 2.147 ( 12.677 4.725 -11.494) 17.752 2.536 ( 18.414 -0.023 6.567) 19.550 2.920 ( 12.873 -6.349 -4.227) 14.963 4.085 ( -0.061 -10.912 -3.463) 11.449 4.121 ( 10.782 -12.137 1.652) 16.319 5.632 ( -8.860 18.153 -10.695) 22.856 6.351 ( -2.242 5.316 11.178) 12.579 6.465 ( 2.538 1.209 -1.586) 3.228 6.811 ( 2.590 2.761 -0.656) 3.842 6.990 ( -4.161 5.702 5.708) 9.078 7.026 ( 4.869 0.077 0.939) 4.959 7.593 ( 2.714 -2.789 -2.825) 4.808 7.922 ( 2.066 7.375 -4.697) 8.984 8.986 ( -5.205 -0.376 11.169) 12.328 9.347 ( -3.618 20.488 -12.563) 24.304 56.142 ( 0.475 -0.382 -0.041) 0.611 56.164 ( 0.273 -0.557 0.049) 0.622 ======================= Grid point 235 (89/372) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 10.631 -5.436 6.781) 13.731 2.281 ( 18.427 -3.235 -3.075) 18.960 2.714 ( 14.774 1.487 4.822) 15.612 3.117 ( 8.985 -5.264 -2.727) 10.765 4.157 ( -2.602 -0.235 -1.062) 2.820 4.321 ( 5.023 -2.390 -3.592) 6.622 5.190 ( -9.129 19.037 -10.477) 23.569 6.266 ( 2.485 6.773 8.930) 11.480 6.504 ( 2.934 -0.962 2.788) 4.160 6.829 ( 1.444 -1.961 -3.720) 4.446 6.878 ( -2.973 4.585 4.611) 7.150 7.074 ( 3.617 0.110 1.320) 3.852 7.613 ( 0.416 2.206 -4.862) 5.355 7.834 ( 3.346 3.667 -0.909) 5.046 8.894 ( -4.970 14.689 -4.528) 16.154 9.049 ( -1.420 2.893 4.346) 5.411 56.152 ( 0.395 -0.338 -0.117) 0.533 56.176 ( 0.199 -0.487 0.131) 0.542 ======================= Grid point 236 (90/372) ======================= q-point: ( 0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 5.469 -9.704 1.143) 11.197 2.547 ( 20.790 -2.890 1.409) 21.038 2.834 ( 11.614 1.194 2.375) 11.914 3.255 ( 5.017 -3.349 -0.648) 6.066 4.013 ( -2.110 14.799 1.008) 14.982 4.300 ( -1.906 3.661 -7.251) 8.344 4.805 ( -8.863 12.039 -7.241) 16.611 6.258 ( 4.822 2.488 6.630) 8.567 6.556 ( 3.948 0.849 3.673) 5.459 6.774 ( -2.837 2.426 2.145) 4.305 6.918 ( 1.815 -5.260 -1.850) 5.864 7.102 ( 2.084 0.395 -0.089) 2.123 7.518 ( -2.845 4.684 -2.398) 5.982 7.856 ( 4.968 0.732 0.626) 5.061 8.560 ( -2.903 15.942 -8.574) 18.333 9.076 ( -1.356 -3.051 7.903) 8.579 56.160 ( 0.317 -0.224 -0.161) 0.420 56.184 ( 0.078 -0.284 0.180) 0.345 ======================= Grid point 237 (91/372) ======================= q-point: (-0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 1.787 -6.511 -0.523) 6.772 2.756 ( 18.360 2.804 -0.183) 18.574 2.937 ( 9.917 1.194 0.308) 9.993 3.320 ( 1.501 -0.222 0.882) 1.755 3.703 ( -0.738 18.631 3.009) 18.886 4.146 ( -6.720 5.964 -8.081) 12.084 4.575 ( -8.753 3.568 -2.565) 9.794 6.301 ( 4.344 0.178 1.402) 4.568 6.561 ( 1.748 2.517 0.633) 3.129 6.764 ( 1.938 0.519 6.547) 6.848 7.027 ( 3.329 -2.724 2.674) 5.065 7.117 ( -0.090 -3.994 -4.581) 6.078 7.417 ( -5.119 2.209 1.517) 5.778 7.879 ( 4.202 2.843 0.431) 5.092 8.269 ( -3.391 12.352 -8.311) 15.269 9.169 ( 0.445 -6.409 5.712) 8.596 56.164 ( 0.241 -0.055 -0.172) 0.301 56.187 ( -0.061 0.017 0.183) 0.194 ======================= Grid point 238 (92/372) ======================= q-point: (-0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 1.046 2.548 1.119) 2.973 2.799 ( 7.598 7.693 -11.604) 15.861 2.975 ( 10.746 6.193 6.013) 13.784 3.286 ( -0.563 5.829 0.416) 5.871 3.512 ( 2.851 7.882 5.972) 10.292 3.939 ( -9.015 6.528 -4.181) 11.890 4.490 ( -8.753 -6.035 -2.292) 10.876 6.343 ( 3.373 -0.979 -4.441) 5.662 6.550 ( -0.171 -0.710 0.688) 1.003 6.799 ( 4.786 2.936 7.968) 9.748 7.032 ( 1.383 4.036 3.122) 5.287 7.231 ( 0.934 -5.491 -5.255) 7.658 7.370 ( -4.670 -3.922 4.668) 7.680 7.849 ( 2.611 4.917 0.085) 5.568 8.041 ( -4.573 6.613 -7.643) 11.093 9.331 ( 1.539 -10.109 2.802) 10.602 56.165 ( 0.181 0.129 -0.150) 0.268 56.183 ( -0.182 0.364 0.142) 0.431 ======================= Grid point 239 (93/372) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 0.283 12.864 3.362) 13.299 2.654 ( -0.120 6.037 -16.782) 17.836 3.001 ( 10.816 8.692 0.252) 13.878 3.120 ( -0.720 13.078 0.902) 13.129 3.457 ( -2.103 3.435 9.286) 10.122 3.712 ( -6.590 11.610 3.683) 13.849 4.630 ( -4.420 -20.998 -3.151) 21.689 6.371 ( 1.872 -1.558 -7.836) 8.206 6.591 ( 0.180 -3.700 0.384) 3.724 6.815 ( 4.581 4.001 7.328) 9.524 6.979 ( -1.962 3.274 4.537) 5.929 7.210 ( -4.186 -0.053 -3.879) 5.707 7.433 ( 3.616 4.073 -0.104) 5.448 7.840 ( -2.699 -7.479 -1.805) 8.154 7.936 ( -0.088 1.037 -1.267) 1.639 9.531 ( 0.458 -12.258 -1.143) 12.320 56.163 ( 0.153 0.287 -0.099) 0.340 56.173 ( -0.258 0.684 0.077) 0.735 ======================= Grid point 240 (94/372) ======================= q-point: (-0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -1.377 19.093 5.795) 20.000 2.487 ( 0.206 11.183 -18.560) 21.670 2.793 ( -7.425 11.149 -16.730) 21.432 2.917 ( 2.068 14.085 -6.384) 15.602 3.327 ( -4.857 14.976 17.855) 23.805 3.616 ( 7.171 1.108 18.724) 20.081 5.018 ( 0.348 -28.000 -1.841) 28.062 6.382 ( 0.256 -1.534 -7.452) 7.613 6.646 ( 1.722 -0.894 -3.325) 3.850 6.826 ( 0.447 -0.830 5.376) 5.458 6.916 ( -6.141 1.067 4.461) 7.665 7.193 ( 0.225 -2.376 -2.028) 3.132 7.306 ( 1.315 10.776 -1.889) 11.019 7.878 ( -1.246 -1.844 -6.477) 6.848 8.109 ( 3.346 -15.008 7.417) 17.072 9.715 ( -2.266 -12.428 -6.081) 14.020 56.157 ( -0.152 0.922 0.093) 0.939 56.159 ( 0.051 0.371 -0.101) 0.388 ======================= Grid point 241 (95/372) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -0.679 21.072 8.104) 22.587 2.011 ( -9.814 31.915 -21.591) 39.763 2.493 ( 1.277 17.808 -8.003) 19.566 2.732 ( -8.616 -4.166 -23.891) 25.736 3.109 ( 7.371 21.128 23.333) 32.328 3.796 ( 8.606 -2.206 21.106) 22.900 5.487 ( 4.381 -25.848 0.598) 26.224 6.378 ( -1.368 -1.269 -6.012) 6.295 6.611 ( 0.190 4.309 -1.849) 4.693 6.818 ( -6.703 1.298 0.625) 6.856 6.939 ( -2.849 -9.751 0.442) 10.168 7.163 ( 0.406 5.949 -0.280) 5.970 7.275 ( 4.294 -4.208 1.176) 6.126 7.881 ( 0.209 -1.688 -5.239) 5.508 8.436 ( 4.174 -16.282 8.230) 18.715 9.844 ( -5.001 -11.420 -10.961) 16.600 56.139 ( -0.151 1.015 0.065) 1.028 56.154 ( 0.156 0.387 -0.021) 0.417 ======================= Grid point 242 (96/372) ======================= q-point: (-0.07 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 4.045 21.544 3.865) 22.258 1.240 ( -12.122 34.939 -14.748) 39.814 2.203 ( 7.480 19.394 -5.530) 21.510 2.657 ( -2.559 1.991 -10.010) 10.522 2.941 ( 8.103 15.506 11.522) 20.949 3.945 ( 6.272 1.028 12.576) 14.091 5.941 ( 9.234 -20.059 4.058) 22.452 6.345 ( -4.553 -0.351 -6.094) 7.615 6.536 ( -0.291 4.204 3.846) 5.705 6.718 ( -6.155 1.640 -3.237) 7.145 7.039 ( -2.074 -3.370 -0.765) 4.030 7.171 ( -2.002 -8.575 0.294) 8.810 7.401 ( 5.207 -3.847 1.500) 6.645 7.903 ( 0.398 -2.767 -5.525) 6.192 8.762 ( 3.532 -14.660 9.978) 18.082 9.925 ( -5.196 -10.631 -13.963) 18.303 56.122 ( 0.007 0.917 0.118) 0.925 56.150 ( 0.164 0.380 -0.023) 0.415 ======================= Grid point 246 (97/372) ======================= q-point: ( 0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 10.456 0.000 23.873) 26.063 2.300 ( 19.153 0.000 13.887) 23.658 2.589 ( 5.227 0.000 -14.965) 15.852 2.630 ( 16.460 0.000 -1.401) 16.520 3.213 ( 31.432 0.000 5.079) 31.840 3.496 ( -1.806 -0.000 -16.131) 16.231 6.260 ( 4.169 0.000 4.854) 6.398 6.267 ( -8.016 -0.000 -4.147) 9.025 6.508 ( -2.695 -0.000 3.611) 4.507 6.936 ( 3.588 0.000 2.118) 4.166 7.079 ( 2.871 0.000 1.546) 3.260 7.262 ( -4.998 -0.000 1.763) 5.300 7.435 ( 1.204 0.000 0.921) 1.516 8.103 ( 5.399 0.000 -3.449) 6.407 9.048 ( -11.100 -0.000 6.085) 12.659 10.091 ( -5.928 -0.000 -12.538) 13.869 56.124 ( 0.655 0.000 0.133) 0.669 56.144 ( 0.300 0.000 -0.146) 0.334 ======================= Grid point 247 (98/372) ======================= q-point: ( 0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 9.064 11.812 23.772) 28.050 2.447 ( 2.308 11.331 -18.301) 21.649 2.543 ( 19.889 -0.414 9.704) 22.134 2.775 ( 14.076 -1.903 -5.136) 15.105 3.582 ( 0.763 -13.864 -11.076) 17.762 3.679 ( 28.913 -11.868 4.433) 31.567 6.093 ( -5.719 9.122 -4.017) 11.492 6.346 ( 1.636 -2.037 6.631) 7.127 6.497 ( -1.854 -0.918 -0.348) 2.098 6.967 ( 1.436 2.017 1.316) 2.804 7.074 ( 4.381 3.893 2.666) 6.438 7.184 ( -4.449 4.325 4.037) 7.403 7.481 ( 2.172 -2.992 -0.649) 3.754 8.117 ( 4.571 3.455 -3.649) 6.793 8.956 ( -10.959 -0.786 6.995) 13.025 9.897 ( -6.608 10.203 -12.014) 17.091 56.132 ( 0.623 -0.152 0.067) 0.645 56.149 ( 0.312 -0.287 -0.086) 0.433 ======================= Grid point 248 (99/372) ======================= q-point: ( 0.36 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 10.059 12.676 21.172) 26.648 2.289 ( 7.988 5.325 -13.696) 16.726 2.771 ( 18.526 0.577 6.996) 19.812 2.945 ( 11.193 -4.881 -6.810) 13.982 3.810 ( 0.471 -15.202 -6.462) 16.525 4.120 ( 19.994 -9.148 -0.714) 21.999 5.816 ( -5.506 16.007 -4.759) 17.584 6.393 ( -1.490 0.024 9.500) 9.616 6.506 ( 3.117 -0.532 -3.326) 4.589 6.886 ( -0.397 6.360 -1.328) 6.509 7.067 ( -3.492 5.854 7.771) 10.337 7.107 ( 5.184 1.297 1.548) 5.564 7.559 ( 2.846 -3.662 -2.931) 5.486 8.056 ( 2.943 7.127 -3.383) 8.420 8.909 ( -9.811 -3.193 9.052) 13.725 9.573 ( -5.440 16.441 -11.091) 20.565 56.142 ( 0.540 -0.237 -0.012) 0.590 56.159 ( 0.288 -0.482 -0.002) 0.562 ======================= Grid point 249 (100/372) ======================= q-point: ( 0.43 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 9.556 7.334 16.219) 20.203 2.374 ( 15.287 -4.276 -5.492) 16.797 2.941 ( 16.052 2.896 5.882) 17.340 3.109 ( 8.011 -5.674 -7.111) 12.122 4.004 ( -1.812 -10.316 -3.228) 10.960 4.360 ( 11.194 -1.931 -6.219) 12.950 5.437 ( -4.954 21.743 -3.552) 22.581 6.378 ( -0.844 2.752 5.477) 6.188 6.557 ( 5.537 0.174 3.905) 6.778 6.801 ( -0.437 1.343 -5.449) 5.629 6.949 ( -4.036 6.206 6.681) 9.971 7.150 ( 5.584 1.494 1.221) 5.908 7.618 ( 2.049 -1.049 -5.508) 5.970 7.950 ( 2.522 7.043 -0.144) 7.482 8.902 ( -9.160 -3.337 8.758) 13.106 9.211 ( -2.882 17.238 -8.863) 19.596 56.151 ( 0.456 -0.269 -0.076) 0.535 56.170 ( 0.209 -0.528 0.068) 0.572 ======================= Grid point 250 (101/372) ======================= q-point: ( 0.50 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 6.409 0.984 10.684) 12.498 2.657 ( 19.019 -8.107 -0.851) 20.692 3.049 ( 14.175 4.834 5.390) 15.916 3.241 ( 5.367 -4.547 -5.476) 8.914 4.063 ( -4.806 -1.502 -1.930) 5.393 4.378 ( 4.374 6.183 -8.716) 11.547 5.006 ( -5.054 22.758 -0.838) 23.328 6.346 ( 1.166 2.732 3.327) 4.460 6.640 ( 5.948 -0.723 8.731) 10.589 6.775 ( -2.416 1.085 -3.597) 4.467 6.853 ( -1.551 0.520 -1.243) 2.054 7.175 ( 4.919 2.557 0.766) 5.597 7.567 ( -1.514 5.059 -4.477) 6.923 7.919 ( 3.885 1.697 2.067) 4.717 8.780 ( -3.469 13.715 -3.051) 14.472 9.011 ( -4.714 -1.124 2.867) 5.631 56.159 ( 0.377 -0.233 -0.113) 0.457 56.180 ( 0.087 -0.429 0.108) 0.451 ======================= Grid point 251 (102/372) ======================= q-point: ( 0.57 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 2.802 -3.606 6.005) 7.545 2.957 ( 18.464 -3.440 -1.450) 18.838 3.122 ( 13.102 4.967 4.814) 14.816 3.326 ( 3.048 -1.892 -2.185) 4.200 3.939 ( -5.152 9.286 -0.472) 10.630 4.207 ( -0.960 12.292 -9.119) 15.335 4.632 ( -6.722 14.855 2.561) 16.506 6.335 ( 1.296 1.030 0.159) 1.663 6.654 ( -0.204 6.036 1.310) 6.180 6.800 ( 4.703 -4.731 8.787) 11.033 6.889 ( -0.985 -6.773 -7.716) 10.314 7.170 ( 3.880 3.990 1.053) 5.664 7.437 ( -4.193 5.465 0.575) 6.913 7.944 ( 2.999 0.980 0.785) 3.251 8.485 ( -0.127 17.121 -5.122) 17.871 9.054 ( -4.055 -7.159 3.107) 8.795 56.165 ( 0.299 -0.125 -0.120) 0.346 56.186 ( -0.043 -0.209 0.104) 0.237 ======================= Grid point 252 (103/372) ======================= q-point: (-0.36 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 1.367 -4.009 3.923) 5.773 3.048 ( 11.068 11.553 -6.079) 17.115 3.203 ( 12.438 2.981 3.651) 13.301 3.346 ( 0.967 1.917 1.408) 2.568 3.722 ( -0.001 11.911 2.878) 12.253 3.955 ( -5.373 9.396 -6.985) 12.882 4.401 ( -7.889 5.699 3.562) 10.363 6.335 ( 1.057 -0.275 -4.509) 4.639 6.574 ( -0.343 2.909 0.178) 2.934 6.899 ( 3.398 0.429 1.653) 3.803 7.047 ( 0.331 -13.464 -1.714) 13.577 7.129 ( 1.773 5.452 3.442) 6.687 7.323 ( -4.930 3.040 4.077) 7.083 7.948 ( 2.484 1.762 0.066) 3.046 8.194 ( 0.256 16.694 -4.440) 17.276 9.168 ( -2.315 -9.882 -0.206) 10.152 56.168 ( 0.227 0.028 -0.099) 0.250 56.186 ( -0.147 0.095 0.058) 0.185 ======================= Grid point 253 (104/372) ======================= q-point: (-0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 0.893 3.048 3.252) 4.545 2.821 ( 3.128 17.948 -9.503) 20.548 3.236 ( 2.372 9.364 -4.747) 10.763 3.333 ( 10.868 3.410 9.562) 14.872 3.530 ( -6.042 10.331 1.504) 12.062 3.797 ( -3.609 4.355 1.047) 5.752 4.353 ( -1.902 -7.151 3.027) 7.995 6.332 ( 0.901 -0.993 -9.766) 9.858 6.563 ( 0.595 -0.851 2.001) 2.255 6.890 ( -2.892 1.083 -2.418) 3.923 7.049 ( -1.367 6.337 7.876) 10.201 7.177 ( -0.155 -1.210 -4.236) 4.408 7.355 ( -0.447 -9.839 3.541) 10.466 7.926 ( 0.031 14.002 -2.789) 14.277 7.960 ( 4.483 0.928 2.604) 5.267 9.314 ( -2.749 -11.603 -4.405) 12.712 56.168 ( 0.171 0.181 -0.057) 0.256 56.180 ( -0.191 0.426 -0.007) 0.467 ======================= Grid point 254 (105/372) ======================= q-point: (-0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -0.598 13.284 3.594) 13.774 2.560 ( 1.347 11.043 -13.670) 17.625 2.955 ( -3.862 19.414 -12.889) 23.621 3.203 ( -3.576 18.644 -3.534) 19.310 3.505 ( 6.731 -0.089 17.995) 19.213 3.732 ( -0.355 0.608 9.838) 9.863 4.627 ( 5.299 -21.141 3.236) 22.034 6.318 ( -0.260 -1.462 -13.897) 13.976 6.611 ( 0.404 -2.433 2.605) 3.588 6.802 ( -8.155 0.374 -0.666) 8.191 6.948 ( -2.445 5.918 3.030) 7.083 7.193 ( 3.847 -0.420 0.576) 3.912 7.441 ( -1.137 2.390 -3.881) 4.697 7.782 ( -1.248 -0.086 -3.200) 3.436 8.061 ( 8.441 -3.650 9.992) 13.580 9.447 ( -5.132 -12.157 -9.273) 16.128 56.165 ( 0.016 0.358 -0.036) 0.360 56.169 ( -0.033 0.653 -0.025) 0.654 ======================= Grid point 255 (106/372) ======================= q-point: (-0.14 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 0.102 17.908 5.132) 18.629 2.333 ( -4.994 21.732 -16.728) 27.875 2.500 ( -5.157 10.069 -22.902) 25.543 2.849 ( -1.758 18.291 -2.926) 18.607 3.546 ( 9.819 11.566 18.052) 23.581 3.876 ( 4.986 -6.292 18.464) 20.134 5.111 ( 8.047 -27.013 4.088) 28.481 6.281 ( -3.548 -2.509 -16.438) 17.002 6.614 ( -4.769 0.557 3.491) 5.937 6.787 ( -2.853 -5.435 1.471) 6.312 6.826 ( -3.207 5.185 -2.037) 6.428 7.255 ( 3.233 1.741 -1.329) 3.905 7.319 ( 1.911 4.745 1.634) 5.370 7.810 ( -1.062 -4.450 -6.265) 7.757 8.309 ( 8.410 -10.264 12.943) 18.536 9.541 ( -7.694 -12.145 -13.961) 20.040 56.153 ( -0.146 0.837 -0.075) 0.853 56.163 ( 0.233 0.421 0.055) 0.484 ======================= Grid point 256 (107/372) ======================= q-point: (-0.07 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 5.441 18.420 2.361) 19.352 1.644 ( -10.342 34.701 -16.145) 39.646 2.414 ( -2.152 -5.651 -24.653) 25.384 2.565 ( 5.394 17.296 -2.732) 18.323 3.482 ( 12.364 18.109 21.266) 30.546 4.059 ( 5.413 -1.431 14.463) 15.509 5.663 ( 9.201 -26.715 5.889) 28.862 6.227 ( -6.509 -3.644 -14.783) 16.559 6.570 ( -3.779 0.771 6.059) 7.182 6.688 ( -4.753 4.265 -3.952) 7.509 6.896 ( -0.653 -7.927 -1.105) 8.030 7.155 ( -1.042 4.841 -0.846) 5.023 7.410 ( 6.100 -3.206 2.525) 7.339 7.849 ( 0.454 -3.249 -5.768) 6.635 8.616 ( 5.841 -12.439 12.708) 18.717 9.608 ( -8.091 -12.926 -16.811) 22.697 56.138 ( 0.021 0.877 -0.018) 0.878 56.158 ( 0.235 0.447 0.056) 0.508 ======================= Grid point 261 (108/372) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 3.887 0.000 20.337) 20.705 2.532 ( 1.899 0.000 -15.936) 16.049 2.727 ( 11.233 0.000 -9.196) 14.517 2.814 ( 9.435 0.000 4.539) 10.470 3.501 ( 10.098 0.000 -4.206) 10.939 3.915 ( 31.353 0.000 0.671) 31.360 6.115 ( -4.233 -0.000 -0.636) 4.280 6.378 ( 4.275 0.000 3.373) 5.446 6.456 ( -2.995 -0.000 -0.891) 3.125 7.027 ( 3.870 0.000 3.310) 5.092 7.140 ( 1.317 0.000 2.686) 2.991 7.195 ( -3.284 -0.000 4.266) 5.384 7.469 ( 1.696 0.000 -1.959) 2.591 8.182 ( 4.062 0.000 -2.970) 5.032 8.845 ( -12.468 -0.000 6.788) 14.196 9.866 ( -7.978 -0.000 -11.311) 13.841 56.138 ( 0.609 0.000 0.042) 0.610 56.150 ( 0.315 0.000 -0.075) 0.323 ======================= Grid point 262 (109/372) ======================= q-point: ( 0.36 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 2.565 6.839 18.654) 20.033 2.409 ( 4.782 6.813 -13.249) 15.646 2.827 ( 2.116 -10.220 -15.515) 18.698 3.001 ( 15.508 -0.159 8.176) 17.532 3.672 ( 11.319 -6.322 -1.341) 13.034 4.240 ( 23.888 -3.351 -2.909) 24.297 5.996 ( -1.317 10.799 -0.283) 10.883 6.403 ( -1.677 0.436 3.945) 4.309 6.485 ( 3.326 -4.145 -2.644) 5.936 7.012 ( 1.880 7.417 2.384) 8.014 7.133 ( -3.905 3.504 6.924) 8.688 7.173 ( 3.702 0.443 1.795) 4.138 7.511 ( 2.019 -3.869 -4.339) 6.154 8.174 ( 2.962 4.270 -2.419) 5.733 8.763 ( -12.755 -3.033 8.220) 15.475 9.677 ( -7.247 8.438 -10.312) 15.168 56.145 ( 0.531 -0.094 -0.009) 0.540 56.155 ( 0.287 -0.288 -0.025) 0.407 ======================= Grid point 263 (110/372) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 2.549 8.096 16.487) 18.543 2.431 ( 11.864 -3.320 -5.931) 13.673 2.977 ( 1.126 -11.649 -14.031) 18.271 3.160 ( 13.560 1.784 6.168) 15.003 3.878 ( 7.398 -6.129 -0.087) 9.607 4.455 ( 14.766 -0.125 -6.535) 16.147 5.744 ( -0.051 18.962 0.309) 18.964 6.390 ( -1.635 -0.098 1.147) 2.000 6.597 ( 5.333 -4.104 0.782) 6.774 6.875 ( -0.136 9.403 -0.327) 9.410 7.034 ( -4.139 6.121 7.989) 10.882 7.222 ( 4.899 0.217 0.856) 4.977 7.587 ( 2.992 -3.594 -6.469) 7.982 8.097 ( 2.267 7.246 -0.036) 7.593 8.733 ( -12.969 -5.840 8.452) 16.545 9.401 ( -4.647 13.384 -8.651) 16.600 56.152 ( 0.443 -0.177 -0.057) 0.481 56.164 ( 0.206 -0.450 0.029) 0.496 ======================= Grid point 264 (111/372) ======================= q-point: ( 0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 1.595 5.830 13.706) 14.979 2.689 ( 16.578 -9.876 -0.342) 19.299 3.130 ( 1.015 -10.777 -11.748) 15.975 3.264 ( 11.200 3.103 4.721) 12.544 3.990 ( 0.836 -1.804 0.065) 1.989 4.506 ( 7.995 5.156 -6.962) 11.789 5.385 ( -0.183 24.976 1.876) 25.047 6.379 ( -0.743 0.206 0.004) 0.771 6.719 ( 5.115 1.078 7.157) 8.862 6.748 ( 0.069 0.061 -6.485) 6.486 6.904 ( -4.187 7.150 5.695) 10.054 7.263 ( 4.963 1.370 0.406) 5.165 7.610 ( 1.588 2.104 -6.871) 7.360 8.019 ( 2.866 5.240 3.228) 6.790 8.735 ( -11.515 -6.689 6.004) 14.607 9.112 ( -1.803 14.339 -6.440) 15.821 56.159 ( 0.367 -0.217 -0.082) 0.434 56.173 ( 0.082 -0.469 0.054) 0.479 ======================= Grid point 265 (112/372) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 0.309 1.938 10.783) 10.960 3.024 ( 15.034 -9.152 0.507) 17.608 3.267 ( 3.013 -6.719 -7.200) 10.299 3.325 ( 8.471 2.432 1.556) 8.950 3.952 ( -5.228 3.293 0.660) 6.213 4.412 ( 4.378 11.712 -5.477) 13.650 4.958 ( -1.515 26.565 4.750) 27.029 6.364 ( -0.230 1.178 -0.010) 1.200 6.690 ( -1.844 -1.491 -4.806) 5.359 6.767 ( -3.371 4.782 0.457) 5.868 6.863 ( 5.831 -2.901 5.525) 8.541 7.281 ( 4.835 2.813 0.487) 5.615 7.512 ( -1.395 7.301 -1.065) 7.509 8.001 ( 2.394 2.398 2.307) 4.100 8.704 ( -3.279 6.189 -0.583) 7.028 8.912 ( -4.145 0.752 -2.063) 4.691 56.165 ( 0.290 -0.182 -0.076) 0.350 56.181 ( -0.044 -0.362 0.037) 0.366 ======================= Grid point 266 (113/372) ======================= q-point: (-0.36 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 0.571 -2.646 9.235) 9.623 3.239 ( 6.667 -2.641 -2.340) 7.543 3.300 ( 0.327 2.497 -0.849) 2.658 3.416 ( 10.810 0.323 -4.383) 11.669 3.812 ( -8.114 4.689 3.106) 9.873 4.180 ( 3.730 19.268 -4.921) 20.234 4.575 ( -1.708 19.136 9.314) 21.350 6.336 ( -0.281 1.274 -3.085) 3.349 6.622 ( -1.647 4.093 -0.764) 4.477 6.768 ( -4.300 -8.154 -9.117) 12.965 6.980 ( 4.149 -2.842 6.221) 7.999 7.274 ( 5.251 4.924 1.671) 7.390 7.371 ( -3.393 6.916 5.941) 9.728 7.990 ( 1.087 1.604 0.667) 2.049 8.481 ( 2.055 16.680 -2.521) 16.994 8.962 ( -4.676 -9.930 -2.853) 11.341 56.170 ( 0.206 -0.080 -0.040) 0.224 56.184 ( -0.129 -0.149 -0.026) 0.199 ======================= Grid point 267 (114/372) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 1.788 -2.649 8.037) 8.649 3.122 ( -0.302 14.802 -6.406) 16.132 3.315 ( -0.415 -1.168 -1.198) 1.724 3.423 ( -0.582 5.629 5.060) 7.592 3.703 ( -0.156 2.402 -4.603) 5.195 3.869 ( -0.688 18.250 -1.633) 18.336 4.409 ( 5.854 7.375 12.540) 15.681 6.298 ( -0.722 0.308 -9.282) 9.316 6.574 ( 0.471 0.707 0.340) 0.915 6.788 ( -7.685 -3.994 -6.761) 10.987 7.063 ( -2.064 -2.956 -2.225) 4.237 7.238 ( 5.430 6.325 9.038) 12.296 7.301 ( -0.933 0.460 5.079) 5.184 7.979 ( 0.062 1.532 0.098) 1.536 8.236 ( 5.362 15.795 1.105) 16.717 9.074 ( -4.375 -10.815 -6.929) 13.569 56.172 ( 0.119 0.055 0.016) 0.132 56.183 ( -0.139 0.130 -0.110) 0.219 ======================= Grid point 268 (115/372) ======================= q-point: (-0.21 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 0.360 6.424 4.331) 7.756 2.812 ( 0.300 18.571 -5.260) 19.304 3.184 ( -2.479 15.542 -6.281) 16.945 3.335 ( -10.498 4.167 6.182) 12.875 3.625 ( -1.825 2.691 1.514) 3.587 3.711 ( 7.253 0.682 -1.378) 7.415 4.529 ( 11.752 -4.898 13.232) 18.363 6.243 ( -2.538 -0.302 -16.033) 16.236 6.601 ( 1.522 -1.372 2.873) 3.529 6.712 ( -8.498 -0.129 -1.307) 8.599 6.997 ( -4.668 3.596 -2.796) 6.522 7.259 ( 5.640 2.035 3.838) 7.119 7.355 ( -1.443 -5.443 1.121) 5.741 7.867 ( -2.112 9.045 -2.751) 9.688 8.186 ( 10.473 2.889 10.310) 14.977 9.167 ( -6.154 -10.620 -11.383) 16.740 56.170 ( -0.028 0.234 0.026) 0.237 56.177 ( 0.014 0.365 -0.126) 0.387 ======================= Grid point 269 (116/372) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -1.401 13.102 1.337) 13.245 2.528 ( 0.694 14.869 -5.275) 15.792 2.742 ( -6.583 26.974 -16.602) 32.351 3.085 ( -3.680 13.777 1.749) 14.367 3.743 ( -2.348 -9.079 6.538) 11.432 3.831 ( 11.781 -3.243 11.110) 16.515 4.870 ( 11.917 -16.445 11.015) 23.103 6.142 ( -6.596 -0.519 -19.883) 20.955 6.604 ( -2.965 1.503 5.063) 6.057 6.700 ( -0.245 -3.864 1.408) 4.120 6.866 ( -4.605 4.945 -3.497) 7.608 7.308 ( 4.715 0.328 0.902) 4.812 7.381 ( -1.841 0.632 -0.814) 2.110 7.738 ( -0.836 1.530 -3.947) 4.315 8.348 ( 10.455 -3.371 14.407) 18.117 9.219 ( -8.447 -10.602 -15.577) 20.650 56.162 ( -0.132 0.558 -0.125) 0.587 56.172 ( 0.222 0.373 0.053) 0.437 ======================= Grid point 270 (117/372) ======================= q-point: (-0.07 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 2.522 11.968 -0.022) 12.231 2.051 ( -8.962 33.470 -16.345) 38.311 2.378 ( 3.080 8.353 -11.533) 14.570 2.863 ( 3.992 13.642 -0.634) 14.228 3.837 ( 6.996 3.565 12.195) 14.504 4.071 ( 5.350 -7.546 12.336) 15.419 5.348 ( 8.797 -23.978 7.581) 26.642 6.025 ( -8.280 -3.432 -18.024) 20.130 6.580 ( -0.616 1.584 5.031) 5.310 6.703 ( -4.883 3.826 -1.559) 6.397 6.802 ( 1.080 -3.796 -0.499) 3.978 7.236 ( -2.521 6.662 -1.428) 7.264 7.431 ( 5.561 -2.518 2.315) 6.529 7.758 ( -0.064 -4.942 -6.343) 8.041 8.580 ( 8.236 -6.681 15.267) 18.589 9.252 ( -9.200 -12.026 -18.297) 23.750 56.151 ( 0.006 0.708 -0.136) 0.721 56.169 ( 0.259 0.423 0.116) 0.509 ======================= Grid point 276 (118/372) ======================= q-point: ( 0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -1.478 -0.000 14.928) 15.001 2.496 ( 3.298 0.000 -10.329) 10.843 2.628 ( -1.907 -0.000 -15.793) 15.907 3.187 ( 14.628 0.000 6.266) 15.914 3.774 ( 15.606 0.000 0.221) 15.608 4.442 ( 20.543 0.000 -4.003) 20.930 6.107 ( 2.657 0.000 2.035) 3.347 6.390 ( -2.014 -0.000 -2.164) 2.956 6.469 ( 3.309 0.000 0.372) 3.330 7.142 ( -3.675 -0.000 8.381) 9.151 7.150 ( 6.110 0.000 3.882) 7.239 7.201 ( 0.947 0.000 1.084) 1.440 7.460 ( 0.299 0.000 -7.185) 7.192 8.229 ( 2.210 0.000 -2.487) 3.327 8.625 ( -14.150 -0.000 9.114) 16.831 9.636 ( -7.206 -0.000 -9.456) 11.889 56.149 ( 0.466 0.000 -0.017) 0.466 56.155 ( 0.252 0.000 -0.023) 0.253 ======================= Grid point 277 (119/372) ======================= q-point: ( 0.43 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -2.763 3.695 13.032) 13.824 2.479 ( 7.929 -0.800 -5.312) 9.577 2.707 ( -1.878 -12.213 -12.684) 17.708 3.326 ( 10.476 0.823 3.855) 11.193 3.942 ( 13.476 -0.765 0.534) 13.508 4.599 ( 13.992 1.141 -5.056) 14.921 6.032 ( 3.444 13.015 1.162) 13.513 6.370 ( -0.996 -0.142 -1.334) 1.670 6.556 ( 3.370 -5.617 -0.297) 6.557 7.062 ( 0.842 10.903 2.327) 11.181 7.106 ( -3.626 4.498 8.205) 10.035 7.266 ( 4.525 -0.982 1.439) 4.849 7.511 ( 2.679 -6.562 -7.951) 10.652 8.209 ( 1.747 3.627 -1.953) 4.475 8.534 ( -15.251 -3.394 9.643) 18.360 9.487 ( -4.949 6.585 -8.034) 11.506 56.154 ( 0.372 -0.069 -0.044) 0.381 56.160 ( 0.181 -0.271 0.006) 0.326 ======================= Grid point 278 (120/372) ======================= q-point: ( 0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -3.172 4.789 11.474) 12.832 2.679 ( 12.775 -9.721 0.888) 16.078 2.864 ( -1.814 -14.240 -10.921) 18.037 3.403 ( 6.253 1.353 1.516) 6.575 4.043 ( 6.968 2.275 0.829) 7.377 4.657 ( 8.892 4.176 -3.700) 10.497 5.785 ( 2.120 20.982 1.473) 21.140 6.358 ( -0.707 -0.337 -2.880) 2.985 6.688 ( 2.665 -5.696 -0.918) 6.355 6.880 ( 0.425 10.751 1.558) 10.871 7.003 ( -4.025 6.671 8.137) 11.265 7.318 ( 3.337 -0.112 0.863) 3.449 7.618 ( 5.843 -2.705 -8.271) 10.482 8.150 ( 2.363 5.570 1.633) 6.267 8.489 ( -15.425 -7.524 6.911) 18.501 9.284 ( -1.600 10.873 -6.254) 12.645 56.159 ( 0.295 -0.168 -0.060) 0.345 56.167 ( 0.061 -0.395 0.022) 0.400 ======================= Grid point 279 (121/372) ======================= q-point: ( 0.57 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -3.424 3.550 10.394) 11.505 2.947 ( 1.794 -11.478 -3.147) 12.036 3.112 ( 10.046 -14.460 -2.981) 17.858 3.419 ( 1.782 1.760 -1.249) 2.798 4.010 ( -0.175 6.317 1.944) 6.611 4.626 ( 6.291 8.352 -0.715) 10.481 5.414 ( 0.575 26.439 3.529) 26.679 6.351 ( -1.084 -0.962 -3.105) 3.426 6.676 ( -2.007 3.985 -5.700) 7.239 6.813 ( -1.638 4.188 -0.507) 4.525 6.914 ( 1.894 0.922 10.209) 10.424 7.344 ( 1.658 0.497 0.688) 1.863 7.632 ( 5.485 5.445 -4.407) 8.897 8.093 ( 1.228 5.162 4.323) 6.844 8.524 ( -10.590 -11.480 1.251) 15.669 9.066 ( 1.142 13.309 -4.680) 14.155 56.165 ( 0.215 -0.210 -0.042) 0.303 56.174 ( -0.058 -0.407 -0.005) 0.411 ======================= Grid point 280 (122/372) ======================= q-point: (-0.36 -0.64 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -2.602 -0.576 10.790) 11.115 3.099 ( -4.148 -10.926 -4.754) 12.617 3.318 ( -3.211 1.275 -2.094) 4.040 3.478 ( 13.070 -7.160 -4.234) 15.493 3.856 ( -6.407 9.355 4.408) 12.165 4.507 ( 5.987 14.039 -0.173) 15.263 4.996 ( 1.262 26.555 9.274) 28.156 6.333 ( -2.193 0.474 -3.486) 4.146 6.611 ( -2.434 -1.877 -6.470) 7.163 6.678 ( -2.649 5.703 -3.256) 7.081 6.993 ( 1.609 -1.704 6.445) 6.858 7.342 ( -0.036 0.978 1.213) 1.558 7.553 ( 5.084 10.005 4.453) 12.074 8.034 ( -1.070 3.131 2.497) 4.145 8.617 ( -3.799 -6.534 -2.981) 8.125 8.862 ( 1.793 9.803 -4.026) 10.748 56.169 ( 0.105 -0.176 0.012) 0.206 56.179 ( -0.113 -0.313 -0.083) 0.343 ======================= Grid point 281 (123/372) ======================= q-point: (-0.29 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -0.160 -5.255 12.151) 13.239 3.161 ( -10.486 -0.577 -4.048) 11.255 3.208 ( -5.690 -3.500 -4.183) 7.882 3.602 ( -2.624 12.795 1.107) 13.108 3.673 ( 3.705 -1.511 -2.989) 4.995 4.258 ( 3.904 22.206 -1.658) 22.607 4.730 ( 8.438 15.659 17.193) 24.738 6.260 ( -4.132 1.641 -9.483) 10.473 6.589 ( -0.973 0.835 -3.888) 4.094 6.626 ( -3.062 -3.942 -3.915) 6.344 7.019 ( -1.965 -0.177 1.327) 2.377 7.321 ( -1.671 1.399 3.105) 3.794 7.462 ( 5.390 10.022 9.380) 14.747 7.997 ( -1.163 0.911 1.104) 1.845 8.535 ( 3.778 12.800 0.495) 13.355 8.846 ( -2.205 -7.703 -8.495) 11.678 56.172 ( -0.024 -0.090 0.072) 0.118 56.181 ( -0.077 -0.126 -0.168) 0.224 ======================= Grid point 282 (124/372) ======================= q-point: (-0.21 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 0.727 -0.814 9.915) 9.975 2.972 ( -10.088 5.984 -2.781) 12.055 3.217 ( -9.785 -5.624 0.312) 11.291 3.354 ( -4.524 10.808 1.511) 11.814 3.628 ( -1.662 9.107 -6.183) 11.132 3.968 ( 8.923 15.349 -2.699) 17.959 4.735 ( 13.251 6.095 19.022) 23.971 6.142 ( -6.678 0.536 -16.944) 18.221 6.597 ( 0.586 -2.454 -1.238) 2.811 6.631 ( -2.659 -1.084 0.662) 2.947 6.974 ( -4.254 1.516 -2.539) 5.180 7.295 ( -2.626 -0.541 2.244) 3.496 7.407 ( 5.364 6.669 7.540) 11.406 7.947 ( -2.777 4.344 -0.643) 5.196 8.418 ( 8.644 8.732 7.760) 14.532 8.915 ( -4.371 -8.208 -12.458) 15.546 56.172 ( -0.139 0.054 0.039) 0.154 56.180 ( 0.043 0.077 -0.146) 0.170 ======================= Grid point 283 (125/372) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -2.465 10.040 3.538) 10.926 2.740 ( -6.014 11.778 0.265) 13.227 3.050 ( -4.181 20.962 -10.578) 23.849 3.216 ( -4.524 3.809 5.979) 8.409 3.502 ( -4.347 -8.430 0.945) 9.532 3.951 ( 10.894 0.773 -0.807) 10.952 4.900 ( 12.897 -2.210 16.595) 21.133 5.996 ( -8.946 0.118 -19.252) 21.230 6.614 ( -1.399 -0.418 2.937) 3.280 6.669 ( 2.958 -2.081 2.177) 4.222 6.870 ( -5.178 3.571 -3.758) 7.327 7.300 ( -2.831 -2.675 -2.003) 4.380 7.406 ( 4.993 2.400 4.791) 7.324 7.802 ( -2.866 7.525 -1.797) 8.251 8.481 ( 10.002 0.854 13.146) 16.540 8.939 ( -6.690 -7.473 -15.610) 18.555 56.167 ( -0.143 0.285 -0.118) 0.340 56.179 ( 0.153 0.191 0.030) 0.246 ======================= Grid point 284 (126/372) ======================= q-point: (-0.07 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -0.121 10.676 0.575) 10.692 2.411 ( -7.850 24.220 -8.009) 26.691 2.615 ( 3.247 18.788 -8.183) 20.749 3.089 ( 1.992 9.824 2.714) 10.385 3.730 ( -2.039 -17.197 4.849) 17.984 4.105 ( 8.817 -4.435 6.021) 11.561 5.162 ( 7.420 -11.293 7.590) 15.498 5.857 ( -6.916 -1.215 -13.661) 15.360 6.630 ( 2.170 0.745 4.248) 4.828 6.702 ( -3.124 2.041 0.394) 3.752 6.775 ( 0.099 -0.318 -1.681) 1.714 7.274 ( -3.684 1.848 -2.359) 4.749 7.461 ( 5.052 -1.126 2.398) 5.704 7.695 ( -0.900 0.905 -3.512) 3.737 8.643 ( 8.310 -2.835 14.568) 17.010 8.933 ( -7.884 -8.334 -17.458) 20.891 56.160 ( -0.020 0.474 -0.195) 0.513 56.177 ( 0.210 0.283 0.149) 0.382 ======================= Grid point 291 (127/372) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -4.473 -0.000 10.164) 11.105 2.535 ( 4.640 0.000 -3.055) 5.555 2.552 ( 2.724 0.000 -7.038) 7.547 3.420 ( 5.303 0.000 0.780) 5.360 4.083 ( 12.684 0.000 0.535) 12.696 4.721 ( 10.142 0.000 -4.247) 10.996 6.187 ( 2.728 0.000 -2.733) 3.862 6.379 ( 1.714 0.000 3.833) 4.199 6.513 ( 1.502 0.000 -2.574) 2.980 7.122 ( -3.972 -0.000 9.500) 10.297 7.216 ( 0.080 0.000 0.160) 0.179 7.307 ( 2.921 0.000 1.179) 3.150 7.424 ( 5.904 0.000 -7.202) 9.313 8.224 ( -1.663 -0.000 -6.191) 6.411 8.398 ( -13.033 -0.000 12.759) 18.239 9.472 ( -3.041 -0.000 -6.967) 7.601 56.156 ( 0.267 0.000 -0.030) 0.269 56.159 ( 0.128 0.000 -0.008) 0.128 ======================= Grid point 292 (128/372) ======================= q-point: ( 0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -5.122 2.574 8.477) 10.233 2.628 ( 1.740 -6.148 -4.308) 7.706 2.665 ( 9.188 -9.302 2.236) 13.264 3.446 ( 0.606 0.129 -2.141) 2.229 4.168 ( 6.511 2.763 0.844) 7.124 4.778 ( 6.452 1.805 -2.479) 7.143 6.083 ( 0.515 12.332 -2.259) 12.548 6.366 ( 0.920 3.068 -0.282) 3.215 6.606 ( 1.742 -7.011 -0.164) 7.226 7.067 ( -1.456 9.451 2.481) 9.879 7.082 ( -3.296 6.478 5.246) 8.964 7.324 ( -0.602 -1.733 -1.036) 2.107 7.602 ( 11.924 -6.525 -4.471) 14.309 8.178 ( -6.027 -3.382 -6.460) 9.460 8.316 ( -8.750 2.480 12.578) 15.521 9.390 ( 0.241 5.474 -5.572) 7.815 56.159 ( 0.175 -0.085 -0.035) 0.198 56.162 ( 0.027 -0.231 -0.002) 0.232 ======================= Grid point 293 (129/372) ======================= q-point: (-0.43 -0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -5.810 3.285 7.604) 10.118 2.737 ( -1.881 -8.958 -4.087) 10.024 3.006 ( 12.884 -14.662 5.868) 20.381 3.415 ( -3.670 0.391 -4.474) 5.800 4.125 ( -0.773 6.307 1.352) 6.496 4.783 ( 3.996 3.867 0.561) 5.589 5.811 ( -0.458 20.019 1.164) 20.058 6.323 ( -0.863 1.113 -4.082) 4.319 6.683 ( -1.127 -0.041 -3.200) 3.393 6.905 ( 0.358 7.767 1.203) 7.868 6.983 ( -2.711 4.117 8.056) 9.444 7.337 ( -1.634 -1.401 -0.229) 2.164 7.761 ( 12.070 1.381 -6.001) 13.550 8.207 ( -11.887 1.813 12.374) 17.254 8.217 ( 0.080 -7.625 -6.088) 9.758 9.265 ( 3.223 10.010 -4.233) 11.336 56.163 ( 0.083 -0.190 -0.013) 0.208 56.167 ( -0.076 -0.342 -0.031) 0.352 ======================= Grid point 294 (130/372) ======================= q-point: (-0.36 -0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -6.363 0.755 8.565) 10.696 2.848 ( -4.949 -10.155 -3.456) 11.814 3.268 ( -5.642 -0.672 -3.294) 6.567 3.442 ( 9.290 -10.430 2.851) 14.255 3.966 ( -5.710 8.999 0.985) 10.703 4.730 ( 2.048 7.273 1.161) 7.644 5.461 ( 1.572 23.923 7.781) 25.206 6.285 ( -2.779 -0.335 -5.842) 6.478 6.596 ( -2.229 3.954 -3.974) 6.033 6.759 ( -1.620 8.377 -3.031) 9.054 6.997 ( -0.454 -1.457 7.322) 7.479 7.336 ( -2.293 -0.796 1.400) 2.802 7.779 ( 9.018 7.004 -1.075) 11.469 8.077 ( -7.560 4.720 8.615) 12.395 8.385 ( 0.461 -12.540 -7.185) 14.459 9.104 ( 5.082 13.370 -2.756) 14.566 56.166 ( -0.077 -0.229 0.045) 0.246 56.172 ( -0.078 -0.373 -0.105) 0.395 ======================= Grid point 295 (131/372) ======================= q-point: (-0.29 -0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -4.982 -5.722 12.079) 14.264 2.927 ( -9.406 -8.864 -2.746) 13.213 3.122 ( -11.262 2.703 -5.662) 12.892 3.645 ( -6.251 0.902 8.784) 10.818 3.788 ( 7.223 4.504 -7.694) 11.474 4.571 ( -0.727 13.491 -1.783) 13.627 5.175 ( 8.082 20.396 17.412) 28.009 6.207 ( -5.839 2.278 -9.409) 11.305 6.531 ( -1.703 -0.061 -2.900) 3.364 6.631 ( 0.339 3.668 -4.893) 6.124 7.007 ( -2.744 0.409 3.190) 4.228 7.321 ( -3.338 0.356 3.232) 4.660 7.726 ( 6.796 10.717 7.160) 14.571 7.982 ( -5.536 0.466 3.269) 6.446 8.543 ( 0.876 -8.385 -9.323) 12.569 8.931 ( 6.252 13.493 -0.823) 14.894 56.169 ( -0.215 -0.215 0.065) 0.311 56.176 ( -0.034 -0.300 -0.145) 0.335 ======================= Grid point 296 (132/372) ======================= q-point: (-0.21 -0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -1.971 -9.088 14.459) 17.191 2.856 ( -15.988 -0.246 -2.882) 16.247 3.005 ( -10.783 -4.667 -2.483) 12.009 3.451 ( -8.744 7.921 4.013) 12.463 3.797 ( 7.014 8.086 -8.882) 13.910 4.296 ( 1.001 16.813 -2.016) 16.963 5.087 ( 12.499 12.300 21.177) 27.495 6.038 ( -8.277 3.523 -15.505) 17.926 6.536 ( -0.905 -2.646 -0.870) 2.928 6.618 ( 2.242 -1.264 -2.588) 3.650 6.959 ( -3.752 1.921 0.429) 4.237 7.272 ( -4.917 1.105 2.193) 5.496 7.630 ( 4.705 10.688 8.939) 14.706 7.948 ( -4.146 0.062 0.846) 4.232 8.601 ( 2.008 -0.522 -5.417) 5.800 8.820 ( 5.160 6.221 -2.131) 8.359 56.169 ( -0.248 -0.139 0.015) 0.285 56.180 ( 0.001 -0.168 -0.103) 0.197 ======================= Grid point 297 (133/372) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -4.554 3.549 7.232) 9.254 2.732 ( -11.914 -1.777 2.469) 12.297 3.005 ( -9.368 -10.334 3.254) 14.323 3.274 ( -3.539 7.709 -2.869) 8.955 3.584 ( 0.480 16.175 -5.508) 17.094 4.115 ( 6.308 8.455 -2.579) 10.859 5.123 ( 10.973 6.882 16.914) 21.304 5.854 ( -8.140 1.366 -16.051) 18.049 6.581 ( 0.016 -2.992 1.483) 3.340 6.681 ( 3.989 -2.499 0.059) 4.707 6.869 ( -4.689 3.776 -1.030) 6.108 7.225 ( -4.154 -1.380 -0.894) 4.468 7.550 ( 3.813 7.259 6.548) 10.493 7.865 ( -4.538 4.693 -0.299) 6.535 8.619 ( 3.245 -0.405 -0.624) 3.329 8.792 ( 2.579 1.705 -3.512) 4.679 56.168 ( -0.186 0.019 -0.101) 0.212 56.181 ( 0.041 -0.050 0.029) 0.071 ======================= Grid point 298 (134/372) ======================= q-point: (-0.07 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -3.862 7.825 2.562) 9.095 2.587 ( -7.863 8.710 0.142) 11.735 2.937 ( -0.057 18.596 -9.429) 20.850 3.206 ( -0.608 -2.016 4.923) 5.355 3.457 ( -1.557 -7.839 1.695) 8.170 4.126 ( 6.182 -1.943 0.552) 6.504 5.157 ( 1.806 1.578 0.970) 2.587 5.763 ( -1.028 -1.163 -3.824) 4.127 6.641 ( 1.453 -2.703 2.500) 3.958 6.733 ( -3.307 4.781 1.574) 6.023 6.772 ( 2.548 -1.459 -1.099) 3.135 7.220 ( -2.762 -2.242 -3.191) 4.779 7.522 ( 3.112 2.428 3.466) 5.253 7.732 ( -2.718 5.465 -0.210) 6.107 8.650 ( -3.481 -4.633 -10.464) 11.961 8.811 ( 5.999 1.247 7.301) 9.531 56.164 ( -0.059 0.208 -0.204) 0.297 56.182 ( 0.096 0.052 0.166) 0.199 ======================= Grid point 306 (135/372) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -5.785 -0.000 6.305) 8.557 2.640 ( 5.140 0.000 3.688) 6.326 2.660 ( 8.759 0.000 2.983) 9.253 3.416 ( -4.000 -0.000 -5.310) 6.648 4.234 ( 0.372 0.000 1.041) 1.106 4.830 ( 2.649 0.000 -2.000) 3.319 6.148 ( -2.724 -0.000 -6.083) 6.666 6.490 ( -1.231 -0.000 -5.684) 5.816 6.498 ( 4.078 0.000 9.539) 10.374 7.100 ( -3.768 -0.000 8.202) 9.026 7.207 ( -0.673 -0.000 -0.790) 1.038 7.225 ( -4.298 -0.000 -6.385) 7.696 7.682 ( 15.808 0.000 2.167) 15.956 8.018 ( -11.476 -0.000 -5.860) 12.886 8.336 ( -2.040 -0.000 7.999) 8.255 9.436 ( 3.418 0.000 -4.748) 5.850 56.159 ( 0.033 0.000 -0.010) 0.034 56.160 ( -0.019 -0.000 -0.024) 0.030 ======================= Grid point 307 (136/372) ======================= q-point: (-0.43 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -6.921 2.461 4.693) 8.717 2.665 ( 2.915 0.525 3.257) 4.402 2.926 ( 11.206 -12.957 8.029) 18.919 3.335 ( -7.791 -0.366 -7.306) 10.687 4.175 ( -6.700 3.471 1.117) 7.628 4.829 ( -1.344 0.340 -0.701) 1.554 6.029 ( -2.840 8.518 -2.926) 9.443 6.364 ( -1.138 6.223 -2.909) 6.962 6.640 ( 0.826 -4.414 3.510) 5.700 7.039 ( -2.949 5.833 1.879) 6.801 7.054 ( -1.343 7.376 3.335) 8.206 7.264 ( -3.198 -3.800 -2.139) 5.408 7.891 ( 13.275 0.594 -7.639) 15.328 7.928 ( -8.453 -9.196 2.585) 12.756 8.311 ( -0.663 3.924 5.895) 7.113 9.428 ( 6.350 5.477 -4.000) 9.291 56.160 ( -0.098 -0.117 0.011) 0.153 56.161 ( -0.080 -0.193 -0.047) 0.214 ======================= Grid point 308 (137/372) ======================= q-point: (-0.36 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -9.172 2.346 4.736) 10.586 2.705 ( -0.643 -2.537 3.038) 4.010 3.158 ( -8.920 -1.885 -5.871) 10.844 3.358 ( 7.880 -12.290 6.918) 16.155 4.008 ( -10.407 5.630 -0.205) 11.834 4.779 ( -5.917 1.226 -1.163) 6.153 5.823 ( 1.152 15.058 5.531) 16.083 6.255 ( -2.758 2.910 -5.493) 6.800 6.637 ( -1.309 3.986 -1.422) 4.430 6.900 ( -0.436 10.615 -0.660) 10.644 6.986 ( -2.222 -0.490 5.737) 6.172 7.278 ( -3.624 -2.843 0.422) 4.626 7.855 ( -5.004 -2.609 -6.526) 8.628 8.110 ( 5.206 1.072 10.402) 11.682 8.277 ( 4.505 -1.344 -4.887) 6.781 9.360 ( 8.030 10.557 -2.890) 13.575 56.161 ( -0.261 -0.209 0.027) 0.336 56.165 ( -0.080 -0.334 -0.073) 0.351 ======================= Grid point 309 (138/372) ======================= q-point: (-0.29 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -10.207 -3.617 8.796) 13.951 2.740 ( -5.187 -3.483 2.897) 6.887 3.003 ( -14.045 0.999 -7.731) 16.063 3.598 ( -5.771 -3.039 10.982) 12.773 3.855 ( 2.342 0.451 -6.944) 7.342 4.652 ( -9.435 3.759 -3.586) 10.771 5.628 ( 7.332 17.564 15.369) 24.464 6.163 ( -4.239 2.348 -7.841) 9.218 6.544 ( -1.020 3.880 -1.662) 4.342 6.717 ( 0.195 9.049 -5.003) 10.342 6.988 ( -3.374 -0.366 3.795) 5.091 7.280 ( -4.721 -1.510 2.653) 5.622 7.849 ( -3.762 -3.912 -2.647) 6.038 8.039 ( 0.842 11.285 12.386) 16.777 8.416 ( 6.948 -6.847 -11.000) 14.703 9.237 ( 8.713 13.925 -0.417) 16.431 56.162 ( -0.345 -0.268 0.024) 0.437 56.170 ( -0.095 -0.385 -0.083) 0.405 ======================= Grid point 310 (139/372) ======================= q-point: (-0.21 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -7.007 -12.928 15.298) 21.220 2.681 ( -14.458 0.703 -0.598) 14.487 2.841 ( -11.325 -1.514 -3.150) 11.852 3.456 ( -12.807 4.495 5.209) 14.538 3.930 ( 8.166 1.537 -8.592) 11.953 4.451 ( -8.538 7.119 -4.346) 11.936 5.515 ( 11.533 15.623 21.054) 28.642 6.003 ( -6.241 6.735 -12.018) 15.124 6.503 ( -0.177 -0.214 -0.291) 0.403 6.622 ( 1.934 1.444 -5.309) 5.831 6.953 ( -3.566 1.234 2.100) 4.319 7.235 ( -6.611 0.654 1.702) 6.858 7.872 ( -5.753 -3.347 1.244) 6.771 7.895 ( 3.622 12.117 9.373) 15.742 8.521 ( 3.552 -4.148 -13.026) 14.125 9.101 ( 9.146 14.014 3.882) 17.179 56.163 ( -0.336 -0.280 0.003) 0.437 56.174 ( -0.109 -0.351 -0.065) 0.373 ======================= Grid point 311 (140/372) ======================= q-point: (-0.14 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -4.736 -7.734 13.307) 16.103 2.512 ( -15.852 -5.575 1.784) 16.899 2.790 ( -8.642 -5.103 1.551) 10.155 3.296 ( -8.301 3.246 1.222) 8.996 3.833 ( 2.697 13.348 -10.283) 17.064 4.261 ( -2.946 6.065 -3.969) 7.823 5.447 ( 7.555 14.717 13.616) 21.426 5.800 ( -3.053 4.619 -8.339) 10.010 6.537 ( 0.616 -3.043 0.869) 3.225 6.658 ( 3.012 -3.591 -2.919) 5.522 6.889 ( -3.401 3.315 1.881) 5.108 7.160 ( -5.681 -0.202 -0.831) 5.745 7.745 ( -0.507 9.690 7.287) 12.134 7.867 ( -2.389 1.442 1.230) 3.050 8.544 ( -0.203 -2.275 -14.426) 14.606 9.011 ( 9.419 10.927 8.789) 16.892 56.164 ( -0.245 -0.213 -0.063) 0.331 56.178 ( -0.104 -0.281 0.016) 0.300 ======================= Grid point 312 (141/372) ======================= q-point: (-0.07 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -8.063 3.772 2.705) 9.304 2.547 ( -7.624 -4.066 4.255) 9.631 2.927 ( -2.142 -15.914 8.464) 18.152 3.162 ( -4.770 4.962 -5.158) 8.601 3.558 ( 0.360 15.047 -5.903) 16.168 4.175 ( 0.701 1.832 -2.223) 2.965 5.234 ( -5.062 11.804 -7.953) 15.107 5.795 ( 7.338 0.502 8.332) 11.114 6.607 ( 1.118 -3.693 1.444) 4.120 6.741 ( -0.847 -1.704 -2.072) 2.813 6.797 ( -0.042 2.783 3.664) 4.602 7.143 ( -1.556 -2.929 -3.142) 4.569 7.620 ( -1.509 6.234 3.514) 7.313 7.795 ( -1.520 4.867 2.543) 5.697 8.505 ( -3.955 -1.908 -15.535) 16.143 8.996 ( 8.979 6.823 11.832) 16.346 56.164 ( -0.108 -0.063 -0.165) 0.207 56.182 ( -0.063 -0.212 0.149) 0.267 ======================= Grid point 321 (142/372) ======================= q-point: (-0.43 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -8.145 -0.000 2.127) 8.419 2.785 ( 4.835 0.000 8.695) 9.949 2.912 ( 10.076 0.000 8.070) 12.909 3.205 ( -10.496 -0.000 -8.806) 13.701 4.104 ( -13.021 -0.000 1.037) 13.063 4.776 ( -8.209 -0.000 -1.879) 8.421 6.046 ( -2.685 -0.000 -2.828) 3.899 6.394 ( -3.355 -0.000 -8.098) 8.765 6.634 ( 1.689 0.000 12.218) 12.334 7.084 ( -1.971 -0.000 5.759) 6.087 7.103 ( -4.048 -0.000 -3.788) 5.544 7.184 ( -0.811 -0.000 -1.132) 1.393 7.733 ( -11.022 -0.000 -4.537) 11.919 8.053 ( 18.233 0.000 -2.747) 18.439 8.356 ( -1.052 -0.000 6.581) 6.664 9.542 ( 9.274 0.000 -4.077) 10.131 56.157 ( -0.229 -0.000 0.019) 0.229 56.158 ( -0.141 -0.000 -0.053) 0.151 ======================= Grid point 322 (143/372) ======================= q-point: (-0.36 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -10.902 2.918 0.706) 11.308 2.778 ( 3.660 5.916 9.036) 11.404 2.983 ( -13.902 -2.015 -9.926) 17.200 3.263 ( 8.187 -11.978 10.021) 17.633 3.934 ( -15.456 2.005 -0.376) 15.590 4.655 ( -15.518 -1.355 -3.718) 16.014 5.998 ( 1.254 4.143 2.634) 5.067 6.280 ( -3.372 5.080 -6.329) 8.788 6.682 ( -0.584 1.185 7.298) 7.417 6.991 ( -2.610 3.192 1.005) 4.244 7.066 ( 0.830 7.936 2.326) 8.311 7.181 ( -3.779 -3.537 -0.965) 5.266 7.667 ( -8.778 -5.749 -5.560) 11.875 8.240 ( 15.906 -2.388 -5.093) 16.872 8.333 ( -0.645 4.549 8.263) 9.454 9.584 ( 10.897 6.045 -3.856) 13.044 56.155 ( -0.361 -0.097 0.017) 0.374 56.159 ( -0.174 -0.228 -0.055) 0.292 ======================= Grid point 323 (144/372) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -14.118 0.434 3.698) 14.601 2.748 ( 0.460 4.746 9.190) 10.354 2.806 ( -17.483 -1.787 -10.801) 20.628 3.501 ( -8.124 -4.476 11.998) 15.165 3.810 ( -0.564 -4.228 -5.634) 7.067 4.489 ( -19.710 -2.863 -5.784) 20.740 5.959 ( 6.156 8.391 10.711) 14.934 6.151 ( -3.140 3.690 -6.311) 7.956 6.620 ( -0.544 6.008 1.891) 6.322 6.891 ( 0.486 12.441 -3.088) 12.828 6.958 ( -2.589 -0.241 3.211) 4.132 7.198 ( -4.951 -2.922 1.802) 6.025 7.685 ( -6.149 -7.056 -2.765) 9.759 8.248 ( -1.260 7.037 6.652) 9.765 8.409 ( 12.879 -1.425 -6.022) 14.288 9.544 ( 11.171 11.289 -2.120) 16.023 56.154 ( -0.440 -0.223 0.016) 0.493 56.162 ( -0.199 -0.375 -0.063) 0.429 ======================= Grid point 324 (145/372) ======================= q-point: (-0.21 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -12.435 -11.102 12.823) 21.031 2.569 ( -17.889 2.936 -6.862) 19.384 2.723 ( -5.039 0.923 6.131) 7.990 3.373 ( -16.325 1.556 5.823) 17.402 3.950 ( 6.563 -4.891 -7.713) 11.247 4.321 ( -18.610 -3.328 -6.264) 19.916 5.918 ( 9.145 11.175 16.605) 22.005 6.033 ( -2.693 6.084 -8.011) 10.413 6.534 ( 0.372 4.083 0.870) 4.191 6.700 ( 0.972 8.650 -4.635) 9.862 6.941 ( -2.343 0.477 2.350) 3.352 7.170 ( -6.809 -0.425 1.057) 6.904 7.738 ( -4.885 -6.236 0.170) 7.924 8.127 ( -0.437 9.307 7.495) 11.958 8.501 ( 7.785 0.097 -10.297) 12.909 9.446 ( 10.821 13.964 1.949) 17.774 56.154 ( -0.430 -0.334 0.021) 0.545 56.166 ( -0.223 -0.437 -0.069) 0.495 ======================= Grid point 325 (146/372) ======================= q-point: (-0.14 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -5.514 -20.160 19.670) 28.701 2.303 ( -19.584 2.047 -4.838) 20.277 2.675 ( -5.947 -0.432 5.779) 8.304 3.227 ( -11.720 0.368 3.078) 12.123 3.971 ( 2.163 4.649 -12.715) 13.710 4.181 ( -14.073 -3.245 -6.172) 15.706 5.785 ( -2.068 17.316 -5.763) 18.366 5.919 ( 9.155 7.112 13.546) 17.829 6.513 ( 0.798 -0.416 0.407) 0.988 6.635 ( 1.706 -0.198 -2.263) 2.841 6.912 ( -1.372 1.790 2.209) 3.157 7.095 ( -6.347 0.270 -0.994) 6.430 7.758 ( -5.881 -1.732 1.027) 6.216 7.998 ( 0.781 8.977 6.848) 11.317 8.498 ( 2.404 1.710 -13.449) 13.768 9.343 ( 10.516 13.395 7.301) 18.529 56.156 ( -0.327 -0.383 0.005) 0.503 56.170 ( -0.239 -0.440 -0.039) 0.502 ======================= Grid point 326 (147/372) ======================= q-point: (-0.07 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -12.200 1.042 0.493) 12.254 2.337 ( -4.477 -17.319 13.078) 22.159 2.710 ( -2.101 -9.101 8.421) 12.576 3.125 ( -8.411 0.587 -0.395) 8.441 3.771 ( -1.441 13.134 -13.052) 18.572 4.111 ( -8.472 -4.358 -5.922) 11.218 5.407 ( -5.537 19.603 -10.233) 22.796 5.975 ( 10.961 4.711 14.319) 18.638 6.557 ( 0.645 -3.635 0.004) 3.692 6.688 ( 0.467 -3.332 0.910) 3.485 6.854 ( -1.412 3.836 2.423) 4.752 7.071 ( -0.658 -3.320 -2.759) 4.367 7.673 ( -6.494 3.907 0.904) 7.632 7.904 ( 1.134 6.648 5.772) 8.877 8.417 ( -2.644 1.930 -15.288) 15.635 9.280 ( 9.931 10.997 10.815) 18.345 56.159 ( -0.168 -0.312 -0.073) 0.362 56.175 ( -0.226 -0.435 0.067) 0.495 ======================= Grid point 336 (148/372) ======================= q-point: (-0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -12.721 -0.000 -2.421) 12.950 2.747 ( -19.023 -0.000 -13.579) 23.372 2.940 ( 3.648 0.000 11.096) 11.680 3.265 ( 8.005 0.000 13.187) 15.427 3.773 ( -16.612 -0.000 -1.637) 16.692 4.416 ( -24.488 -0.000 -5.637) 25.128 6.056 ( 3.351 0.000 4.024) 5.236 6.266 ( -3.638 -0.000 -7.742) 8.554 6.707 ( -2.038 -0.000 10.963) 11.151 7.005 ( -3.633 -0.000 -2.463) 4.389 7.099 ( -0.138 -0.000 3.371) 3.373 7.179 ( 1.164 0.000 2.166) 2.459 7.507 ( -6.895 -0.000 -7.164) 9.943 8.296 ( 3.322 0.000 -6.128) 6.971 8.453 ( 9.900 0.000 8.469) 13.028 9.742 ( 12.589 0.000 -4.971) 13.535 56.150 ( -0.492 -0.000 0.042) 0.494 56.154 ( -0.209 -0.000 -0.079) 0.224 ======================= Grid point 337 (149/372) ======================= q-point: (-0.29 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -16.182 3.175 -1.881) 16.598 2.520 ( -21.374 -3.421 -14.153) 25.862 2.923 ( 2.695 8.279 11.586) 14.493 3.375 ( -13.069 -2.228 12.250) 18.051 3.695 ( 1.253 -6.897 -4.078) 8.110 4.148 ( -29.106 -4.450 -6.783) 30.215 6.109 ( 5.311 1.081 6.303) 8.313 6.171 ( -2.744 4.019 -5.512) 7.353 6.700 ( -2.314 2.422 7.364) 8.090 6.947 ( -1.518 1.435 -0.879) 2.266 7.075 ( -2.713 6.577 -1.685) 7.311 7.149 ( 2.033 2.653 5.342) 6.302 7.500 ( -4.402 -7.133 -4.036) 9.303 8.280 ( -2.181 0.913 -2.167) 3.207 8.568 ( 12.106 2.567 2.825) 12.693 9.804 ( 12.768 6.406 -4.827) 15.078 56.146 ( -0.576 -0.127 0.042) 0.591 56.154 ( -0.233 -0.235 -0.084) 0.342 ======================= Grid point 338 (150/372) ======================= q-point: (-0.21 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -16.974 -5.230 7.653) 19.340 2.314 ( -22.245 -3.431 -13.078) 26.032 2.825 ( -1.749 8.892 10.617) 13.959 3.224 ( -17.816 -0.168 7.132) 19.191 3.857 ( -2.558 -8.173 -8.627) 12.156 3.965 ( -20.021 -9.268 -4.250) 22.468 6.062 ( -1.192 4.203 -5.304) 6.872 6.164 ( 6.135 3.157 8.645) 11.060 6.636 ( -0.471 5.388 5.091) 7.428 6.859 ( -0.988 10.332 -2.787) 10.747 6.954 ( -0.441 1.653 1.069) 2.017 7.128 ( -1.509 2.637 3.186) 4.402 7.579 ( -3.366 -7.667 -0.741) 8.406 8.212 ( -3.679 3.199 0.516) 4.903 8.622 ( 9.524 4.873 -2.335) 10.950 9.772 ( 11.878 11.177 -2.069) 16.441 56.143 ( -0.572 -0.312 0.057) 0.654 56.156 ( -0.258 -0.382 -0.102) 0.472 ======================= Grid point 339 (151/372) ======================= q-point: (-0.14 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -9.166 -21.525 20.500) 31.106 2.079 ( -22.542 -1.019 -10.022) 24.690 2.688 ( -6.348 4.638 6.370) 10.118 3.115 ( -10.345 -0.558 8.379) 13.325 3.820 ( -20.889 -12.469 -10.233) 26.393 3.974 ( -2.274 -1.147 -10.292) 10.603 5.948 ( 0.277 8.718 -7.972) 11.817 6.183 ( 6.087 5.634 11.414) 14.110 6.562 ( -0.005 4.837 2.616) 5.499 6.694 ( 0.612 6.465 1.146) 6.594 6.945 ( 1.412 1.088 0.789) 1.949 7.056 ( -3.429 3.436 0.793) 4.919 7.651 ( -3.941 -4.990 0.011) 6.358 8.111 ( -3.641 4.720 1.846) 6.240 8.582 ( 5.125 7.432 -6.611) 11.189 9.689 ( 10.872 12.852 3.051) 17.108 56.145 ( -0.467 -0.484 0.086) 0.678 56.160 ( -0.284 -0.456 -0.122) 0.551 ======================= Grid point 340 (152/372) ======================= q-point: (-0.07 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -17.893 -2.290 -4.740) 18.652 2.000 ( -1.320 -26.443 21.975) 34.407 2.629 ( -3.694 -2.816 3.909) 6.070 3.054 ( -6.794 1.306 8.079) 10.637 3.810 ( -17.322 -13.520 -7.481) 23.213 3.843 ( -4.829 6.168 -17.998) 19.629 5.671 ( -1.951 20.333 -9.353) 22.466 6.211 ( 7.803 4.354 11.992) 14.955 6.518 ( -0.619 -0.396 -0.661) 0.988 6.679 ( 2.179 0.216 5.837) 6.234 6.920 ( 0.079 5.198 1.588) 5.436 7.008 ( 0.216 -2.844 -2.319) 3.676 7.639 ( -6.134 0.354 -0.502) 6.164 8.012 ( -2.287 4.133 2.457) 5.324 8.446 ( 0.198 8.957 -9.871) 13.330 9.608 ( 10.015 12.327 7.515) 17.571 56.150 ( -0.277 -0.542 0.074) 0.613 56.164 ( -0.306 -0.511 -0.086) 0.602 ======================= Grid point 351 (153/372) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -17.632 -0.000 -5.345) 18.424 2.196 ( -24.410 -0.000 -15.936) 29.151 3.052 ( -1.006 -0.000 9.405) 9.459 3.225 ( -21.030 -0.000 8.555) 22.703 3.665 ( 8.285 0.000 -0.203) 8.287 3.752 ( -33.706 -0.000 -6.080) 34.250 6.160 ( -2.356 -0.000 -4.899) 5.436 6.191 ( 5.164 0.000 5.992) 7.910 6.710 ( -2.917 -0.000 7.827) 8.353 6.925 ( -2.355 -0.000 -2.571) 3.486 7.100 ( -0.987 -0.000 2.094) 2.315 7.278 ( 4.410 0.000 7.881) 9.031 7.364 ( -2.816 -0.000 -6.231) 6.838 8.252 ( -2.966 -0.000 -2.687) 4.002 8.716 ( 10.329 0.000 2.573) 10.645 9.971 ( 13.026 0.000 -7.075) 14.824 56.138 ( -0.702 -0.000 0.057) 0.704 56.149 ( -0.215 -0.000 -0.098) 0.236 ======================= Grid point 352 (154/372) ======================= q-point: (-0.21 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -19.668 0.782 0.422) 19.688 1.943 ( -24.822 -5.861 -15.734) 29.968 2.901 ( -19.260 6.908 1.654) 20.528 3.090 ( -11.482 -2.833 9.798) 15.358 3.459 ( -27.607 -5.454 -3.981) 28.421 3.814 ( 5.816 -5.926 -1.489) 8.436 6.098 ( -0.718 3.118 -3.323) 4.613 6.257 ( 4.062 0.154 4.870) 6.343 6.691 ( -2.584 1.981 5.970) 6.800 6.918 ( -1.121 -1.993 -1.584) 2.781 7.015 ( -1.427 8.745 1.277) 8.953 7.268 ( 5.171 6.051 5.593) 9.728 7.426 ( -1.525 -6.879 -0.371) 7.056 8.202 ( -3.672 1.160 -1.964) 4.323 8.787 ( 8.020 3.715 0.442) 8.850 10.025 ( 11.972 6.167 -6.907) 15.135 56.133 ( -0.726 -0.214 0.072) 0.760 56.148 ( -0.213 -0.201 -0.116) 0.315 ======================= Grid point 353 (155/372) ======================= q-point: (-0.14 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -13.175 -17.292 18.517) 28.556 1.744 ( -24.158 -5.745 -13.062) 28.058 2.604 ( -21.626 0.845 -3.333) 21.898 3.091 ( -7.290 -4.150 12.461) 15.021 3.321 ( -21.659 -9.502 -3.825) 23.959 3.896 ( -0.250 -1.729 -9.413) 9.573 6.038 ( 2.001 3.791 -3.963) 5.838 6.295 ( 2.528 1.205 3.752) 4.682 6.625 ( -4.255 4.059 2.916) 6.564 6.846 ( -1.160 8.628 4.469) 9.786 6.946 ( 2.063 -0.409 -1.615) 2.652 7.209 ( 4.878 10.246 6.008) 12.841 7.522 ( -2.041 -6.644 -0.377) 6.961 8.123 ( -4.232 2.779 -1.538) 5.291 8.757 ( 4.932 7.946 -1.845) 9.533 9.987 ( 10.323 9.802 -3.101) 14.569 56.131 ( -0.642 -0.483 0.115) 0.812 56.150 ( -0.222 -0.330 -0.155) 0.427 ======================= Grid point 354 (156/372) ======================= q-point: (-0.07 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -17.915 -10.308 -2.682) 20.843 1.616 ( -3.845 -25.677 22.073) 34.078 2.450 ( -14.905 -7.574 -7.219) 18.211 3.133 ( 0.044 2.047 18.704) 18.816 3.296 ( -21.662 -17.312 -7.353) 28.688 3.794 ( -6.270 3.953 -18.892) 20.294 5.927 ( 1.901 13.286 -7.302) 15.279 6.308 ( 1.679 -0.044 4.151) 4.477 6.516 ( -4.384 2.300 1.385) 5.140 6.779 ( 3.007 3.807 8.356) 9.663 6.976 ( 2.508 -1.452 -1.759) 3.390 7.082 ( 3.088 11.763 3.912) 12.775 7.566 ( -4.201 -2.100 -1.375) 4.894 8.024 ( -4.157 2.780 -2.014) 5.391 8.618 ( 1.674 11.918 -3.435) 12.516 9.914 ( 8.983 10.790 2.036) 14.187 56.136 ( -0.464 -0.716 0.170) 0.870 56.153 ( -0.231 -0.406 -0.191) 0.505 ======================= Grid point 366 (157/372) ======================= q-point: (-0.21 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -20.223 -0.000 -3.332) 20.496 1.558 ( -27.179 -0.000 -16.444) 31.766 2.714 ( -37.232 -0.000 -4.124) 37.460 2.773 ( -24.778 -0.000 1.653) 24.833 3.307 ( -5.220 -0.000 6.558) 8.382 3.840 ( 7.083 0.000 0.339) 7.091 6.115 ( 0.221 0.000 -1.521) 1.537 6.303 ( 2.409 0.000 3.408) 4.174 6.714 ( -1.303 -0.000 7.223) 7.339 6.872 ( -1.958 -0.000 -1.816) 2.671 7.101 ( -0.917 -0.000 4.690) 4.779 7.309 ( 0.972 0.000 -4.457) 4.561 7.433 ( 4.762 0.000 9.080) 10.253 8.173 ( -2.595 -0.000 -1.974) 3.261 8.892 ( 5.932 0.000 0.223) 5.937 10.165 ( 11.085 0.000 -10.649) 15.371 56.123 ( -0.784 -0.000 0.078) 0.788 56.145 ( -0.172 -0.000 -0.118) 0.209 ======================= Grid point 367 (158/372) ======================= q-point: (-0.14 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -17.222 -9.099 12.854) 23.336 1.319 ( -25.348 -9.146 -15.336) 31.006 2.288 ( -35.738 -1.367 -5.279) 36.152 2.637 ( -27.860 -13.451 -1.274) 30.963 3.285 ( -0.929 1.508 8.294) 8.481 3.889 ( 3.370 1.754 -4.006) 5.521 6.101 ( 2.423 2.279 -0.898) 3.446 6.329 ( 1.029 0.127 1.717) 2.006 6.664 ( -3.804 5.552 4.115) 7.888 6.869 ( -2.950 -1.365 1.416) 3.545 7.048 ( 2.125 5.766 3.828) 7.240 7.382 ( 3.010 -4.992 -1.194) 5.950 7.455 ( 2.719 5.302 7.614) 9.669 8.127 ( -1.773 2.398 -1.908) 3.540 8.903 ( 3.553 4.702 -0.411) 5.908 10.189 ( 9.151 5.109 -10.298) 14.693 56.118 ( -0.728 -0.310 0.106) 0.798 56.144 ( -0.151 -0.161 -0.143) 0.263 ======================= Grid point 368 (159/372) ======================= q-point: (-0.07 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -10.210 -21.018 12.280) 26.397 1.221 ( -12.330 -19.248 8.547) 24.405 2.044 ( -26.596 -12.104 -11.409) 31.369 2.635 ( -26.061 -21.145 -2.973) 33.692 3.303 ( 1.732 0.656 11.627) 11.773 3.789 ( -1.965 8.505 -12.000) 14.838 6.085 ( 4.273 4.956 -3.760) 7.547 6.322 ( -0.937 1.095 -0.234) 1.460 6.519 ( -6.278 4.552 3.800) 8.636 6.852 ( -1.612 0.744 5.199) 5.494 7.020 ( 3.861 2.966 1.278) 5.034 7.347 ( 3.715 12.480 5.811) 14.259 7.483 ( -1.448 -3.623 -1.548) 4.197 8.041 ( -1.863 4.623 -2.909) 5.771 8.809 ( 1.404 9.683 -0.512) 9.798 10.142 ( 7.157 7.242 -5.184) 11.426 56.120 ( -0.573 -0.663 0.159) 0.891 56.145 ( -0.133 -0.270 -0.175) 0.349 ======================= Grid point 381 (160/372) ======================= q-point: (-0.14 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -17.387 -0.000 9.928) 20.021 0.884 ( -28.215 -0.000 -13.560) 31.304 1.834 ( -43.619 -0.000 -0.183) 43.620 2.251 ( -25.232 -0.000 -2.575) 25.363 3.296 ( -1.664 -0.000 3.693) 4.051 3.949 ( 4.230 0.000 -2.149) 4.745 6.152 ( 3.691 0.000 0.520) 3.727 6.340 ( 0.097 0.000 0.526) 0.535 6.747 ( -0.624 -0.000 7.536) 7.562 6.791 ( -5.503 -0.000 -1.291) 5.652 7.137 ( 0.602 0.000 10.056) 10.074 7.336 ( 3.244 0.000 -2.641) 4.183 7.571 ( 3.150 0.000 6.914) 7.598 8.143 ( 1.187 0.000 -2.029) 2.351 8.972 ( 2.073 0.000 0.649) 2.173 10.269 ( 7.072 0.000 -16.558) 18.005 56.108 ( -0.686 -0.000 0.115) 0.695 56.141 ( -0.105 -0.000 -0.148) 0.182 ======================= Grid point 382 (161/372) ======================= q-point: (-0.07 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -17.756 -16.864 -3.871) 24.792 0.794 ( -5.424 -26.161 24.250) 36.081 1.475 ( -38.929 -10.392 -2.500) 40.370 2.091 ( -23.448 -12.318 -3.000) 26.656 3.299 ( -1.813 -1.742 1.548) 2.953 3.916 ( 2.285 7.327 -4.397) 8.845 6.182 ( 5.258 2.320 -0.338) 5.757 6.326 ( -1.290 1.155 -2.145) 2.757 6.580 ( -6.716 9.404 4.904) 12.554 6.821 ( -3.375 -2.478 2.673) 4.967 7.128 ( 1.901 5.235 8.045) 9.785 7.416 ( 1.042 -3.732 -0.491) 3.906 7.560 ( 2.375 6.839 4.787) 8.679 8.112 ( 1.650 4.784 -3.737) 6.291 8.949 ( 1.135 5.395 2.325) 5.984 10.249 ( 4.179 2.079 -14.828) 15.545 56.105 ( -0.545 -0.390 0.153) 0.687 56.141 ( -0.068 -0.139 -0.161) 0.223 ======================= Grid point 396 (162/372) ======================= q-point: (-0.07 -0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( -13.107 -0.000 13.903) 19.107 0.536 ( -6.101 -0.000 32.140) 32.714 0.997 ( -39.422 -0.000 13.024) 41.518 1.749 ( -19.196 -0.000 -5.564) 19.986 3.260 ( -2.483 -0.000 -2.132) 3.272 3.987 ( 1.744 0.000 -5.320) 5.599 6.266 ( 6.470 0.000 0.657) 6.503 6.310 ( -2.373 -0.000 -3.609) 4.319 6.634 ( -8.229 -0.000 -1.241) 8.322 6.755 ( -2.878 -0.000 3.781) 4.751 7.317 ( 9.036 0.000 15.122) 17.616 7.382 ( 2.117 0.000 -0.758) 2.249 7.638 ( 0.044 0.000 2.678) 2.678 8.167 ( 2.181 0.000 -5.897) 6.288 9.022 ( 1.649 0.000 6.091) 6.310 10.187 ( -4.326 -0.000 -22.505) 22.917 56.098 ( -0.409 -0.000 0.173) 0.444 56.138 ( -0.030 -0.000 -0.187) 0.189 ======================= Grid point 397 (163/372) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -8.878 -0.000 13.000) 15.742 1.203 ( 19.152 0.000 1.420) 19.205 1.483 ( 1.422 0.000 21.489) 21.536 1.750 ( 5.808 0.000 42.054) 42.453 2.937 ( -5.519 -0.000 -15.539) 16.490 3.673 ( -1.962 -0.000 -19.433) 19.532 6.294 ( -3.996 -0.000 -0.528) 4.031 6.307 ( 6.886 0.000 2.437) 7.305 6.568 ( 4.037 0.000 0.801) 4.116 6.635 ( -6.793 -0.000 -3.054) 7.448 7.304 ( -7.656 -0.000 1.279) 7.762 7.424 ( 1.967 0.000 -0.336) 1.995 7.623 ( -5.203 -0.000 0.595) 5.237 7.915 ( 0.114 0.000 -10.234) 10.235 9.384 ( 1.925 0.000 13.677) 13.811 10.007 ( 6.251 0.000 -6.559) 9.060 56.102 ( -0.052 -0.000 0.449) 0.451 56.131 ( 0.080 0.000 -0.406) 0.414 ======================= Grid point 398 (164/372) ======================= q-point: ( 0.07 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 9.249 -7.873 11.212) 16.530 1.248 ( 7.923 28.600 36.333) 46.912 1.490 ( 18.033 -11.843 -8.670) 23.251 2.358 ( 7.147 -26.747 26.627) 38.413 2.734 ( -2.696 7.031 -15.302) 17.054 3.686 ( -1.462 -10.984 -16.281) 19.694 6.249 ( -4.121 -0.295 0.037) 4.132 6.387 ( 8.465 2.186 1.839) 8.934 6.553 ( -2.839 0.710 -1.507) 3.292 6.632 ( 4.729 -0.296 -0.085) 4.739 7.199 ( -7.349 3.843 4.293) 9.338 7.441 ( 0.691 0.982 -2.250) 2.550 7.515 ( -5.274 5.058 1.975) 7.569 7.866 ( 1.348 2.670 -8.022) 8.561 9.373 ( -0.075 7.160 12.540) 14.441 9.975 ( 2.501 7.238 -10.897) 13.319 56.106 ( 0.067 -0.356 0.430) 0.562 56.133 ( 0.150 -0.299 -0.402) 0.522 ======================= Grid point 399 (165/372) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 8.577 20.124 31.992) 38.756 1.202 ( 13.699 -11.568 10.035) 20.547 1.887 ( 18.714 -15.175 -7.262) 25.164 2.256 ( -4.250 14.728 -25.898) 30.095 3.168 ( 10.877 -28.295 24.729) 39.121 3.860 ( -0.189 -15.466 -10.832) 18.883 6.179 ( -6.176 3.665 -3.882) 8.164 6.402 ( 6.770 5.518 1.989) 8.958 6.535 ( 1.419 0.951 -1.279) 2.134 6.687 ( 4.040 0.683 4.529) 6.107 7.047 ( -7.142 6.302 1.168) 9.597 7.294 ( -2.947 9.866 -0.416) 10.305 7.491 ( 0.153 -0.860 1.219) 1.499 7.821 ( 2.847 2.626 -6.160) 7.277 9.259 ( -0.468 10.287 12.169) 15.942 9.752 ( -2.052 14.612 -14.309) 20.554 56.116 ( 0.123 -0.561 0.343) 0.669 56.141 ( 0.230 -0.486 -0.319) 0.625 ======================= Grid point 400 (166/372) ======================= q-point: ( 0.21 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 6.273 0.928 21.100) 22.032 1.504 ( 10.759 -4.243 -1.244) 11.632 2.018 ( 4.980 1.065 -14.638) 15.498 2.293 ( 15.696 -15.141 -5.965) 22.610 3.747 ( 8.600 -20.738 17.930) 28.732 4.076 ( 0.415 -13.402 -7.564) 15.395 5.931 ( -9.210 13.984 -10.738) 19.892 6.381 ( 10.499 12.550 7.995) 18.211 6.487 ( -2.371 2.503 -2.288) 4.138 6.703 ( -2.060 0.312 6.878) 7.187 6.922 ( -0.828 2.186 -3.500) 4.209 7.146 ( -0.648 5.276 2.471) 5.862 7.510 ( 0.904 -0.440 0.500) 1.123 7.781 ( 2.464 3.775 -6.333) 7.774 9.142 ( 1.277 8.864 13.484) 16.187 9.393 ( -4.695 18.071 -16.178) 24.705 56.128 ( 0.130 -0.611 0.202) 0.657 56.152 ( 0.310 -0.596 -0.187) 0.697 ======================= Grid point 401 (167/372) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 4.294 -16.331 7.412) 18.441 1.616 ( 8.971 -4.827 -7.328) 12.549 2.200 ( 10.127 -10.203 1.585) 14.463 2.659 ( 12.305 -13.897 -3.468) 18.884 4.102 ( 3.755 -7.403 9.184) 12.380 4.224 ( 1.206 -6.370 -4.321) 7.792 5.509 ( -10.384 18.348 -14.481) 25.577 6.201 ( 7.886 19.724 10.181) 23.556 6.495 ( -3.001 -5.454 -1.330) 6.365 6.708 ( 0.562 -0.115 3.131) 3.183 6.891 ( 1.366 2.519 -0.263) 2.877 7.126 ( -0.699 -1.500 2.592) 3.075 7.528 ( 2.143 0.214 -0.089) 2.156 7.703 ( 1.458 5.127 -6.116) 8.113 8.991 ( -5.370 17.030 -16.322) 24.192 9.095 ( 3.209 6.068 14.704) 16.227 56.140 ( 0.117 -0.559 0.052) 0.574 56.165 ( 0.349 -0.605 -0.047) 0.700 ======================= Grid point 402 (168/372) ======================= q-point: ( 0.36 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 1.404 -22.891 -0.206) 22.935 1.844 ( 10.359 -10.941 -0.288) 15.070 2.461 ( 7.152 -9.233 2.005) 11.850 2.975 ( 8.481 -12.314 0.017) 14.952 4.072 ( -1.028 12.138 2.211) 12.380 4.303 ( 1.473 -0.574 -1.732) 2.345 5.091 ( -9.189 13.019 -15.088) 21.945 6.060 ( 8.299 11.199 10.493) 17.446 6.550 ( -3.070 -4.865 -0.753) 5.802 6.743 ( 3.199 -0.583 2.097) 3.869 6.862 ( 0.786 2.230 1.679) 2.900 7.149 ( -2.599 -1.892 -0.311) 3.230 7.548 ( 2.323 0.395 0.364) 2.384 7.642 ( 2.605 1.830 -2.530) 4.067 8.636 ( -4.919 13.200 -14.572) 20.268 9.100 ( 3.864 3.947 13.295) 14.396 56.149 ( 0.101 -0.443 -0.071) 0.460 56.177 ( 0.313 -0.486 0.077) 0.583 ======================= Grid point 403 (169/372) ======================= q-point: ( 0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -1.422 -14.567 0.631) 14.650 2.145 ( 7.041 -15.112 -1.902) 16.780 2.653 ( 4.449 -6.739 -0.833) 8.118 3.217 ( 3.861 -8.349 1.988) 9.411 3.789 ( -1.815 19.287 3.699) 19.722 4.258 ( -0.198 4.216 -4.991) 6.536 4.828 ( -6.705 3.706 -11.509) 13.825 6.057 ( 8.740 4.903 9.350) 13.706 6.583 ( -3.272 -3.780 -1.037) 5.106 6.771 ( 0.633 1.617 4.008) 4.368 6.879 ( 4.140 -1.133 1.065) 4.422 7.124 ( -2.422 0.622 -3.330) 4.164 7.558 ( -0.836 -0.677 1.490) 1.837 7.692 ( 4.162 -2.753 1.842) 5.320 8.370 ( -4.199 8.421 -12.586) 15.715 9.131 ( 4.091 1.553 10.217) 11.114 56.155 ( 0.078 -0.277 -0.152) 0.326 56.186 ( 0.192 -0.242 0.169) 0.352 ======================= Grid point 404 (170/372) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -3.230 -2.156 2.977) 4.893 2.418 ( 1.002 -12.511 -5.131) 13.559 2.773 ( 2.611 -4.904 -5.537) 7.843 3.302 ( 0.027 2.563 2.266) 3.421 3.527 ( -0.715 10.225 6.608) 12.196 4.162 ( -2.423 3.224 -6.332) 7.507 4.752 ( -5.048 -4.960 -6.527) 9.627 6.117 ( 7.600 1.378 6.743) 10.253 6.606 ( -2.868 -3.401 -1.732) 4.774 6.752 ( -0.124 2.192 4.678) 5.168 6.940 ( 4.303 1.476 2.681) 5.280 7.084 ( 0.715 0.622 -4.530) 4.628 7.566 ( -3.189 -1.975 1.742) 4.136 7.798 ( 1.918 -4.974 4.030) 6.683 8.182 ( -4.252 4.936 -11.393) 13.124 9.217 ( 5.278 -3.201 6.870) 9.236 56.158 ( 0.047 -0.078 -0.193) 0.214 56.189 ( 0.008 0.089 0.212) 0.230 ======================= Grid point 405 (171/372) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -5.650 4.934 2.813) 8.011 2.516 ( -1.661 -2.419 -4.897) 5.709 2.827 ( -1.405 -4.708 -10.586) 11.670 3.179 ( -0.065 12.117 5.922) 13.486 3.482 ( -0.484 -0.021 6.060) 6.079 4.053 ( -5.705 4.193 -2.825) 7.623 4.832 ( -5.135 -14.105 -6.486) 16.352 6.213 ( 5.616 -2.725 3.630) 7.221 6.608 ( -1.407 0.389 -1.911) 2.405 6.748 ( -0.172 -0.684 5.204) 5.251 6.927 ( 2.377 4.018 2.242) 5.179 7.090 ( 4.873 2.009 -2.648) 5.899 7.559 ( -5.979 -2.138 1.053) 6.436 7.927 ( 0.400 -7.593 5.178) 9.199 8.039 ( -4.971 1.733 -11.528) 12.673 9.389 ( 6.457 -8.028 3.535) 10.892 56.158 ( 0.019 0.121 -0.200) 0.234 56.185 ( -0.200 0.439 0.210) 0.527 ======================= Grid point 406 (172/372) ======================= q-point: (-0.36 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -7.409 10.115 2.349) 12.757 2.442 ( -4.978 4.750 -6.844) 9.705 2.854 ( -3.145 -3.491 -10.165) 11.198 2.958 ( -2.155 12.645 0.379) 12.833 3.510 ( 0.654 -0.071 10.545) 10.565 3.839 ( -10.979 12.627 2.812) 16.967 5.078 ( -2.830 -23.410 -7.386) 24.710 6.334 ( 2.395 -5.278 1.307) 5.942 6.553 ( 0.325 4.312 -1.580) 4.604 6.811 ( -0.330 -5.297 2.646) 5.930 6.910 ( 3.969 2.373 4.351) 6.350 7.079 ( 4.756 4.457 -0.984) 6.592 7.515 ( -8.342 -1.463 -0.413) 8.479 7.915 ( -3.451 1.669 -7.880) 8.763 8.136 ( -0.733 -14.169 2.469) 14.401 9.610 ( 6.219 -9.725 -0.630) 11.561 56.154 ( 0.007 0.286 -0.170) 0.332 56.173 ( -0.380 0.721 0.176) 0.834 ======================= Grid point 407 (173/372) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -7.994 14.517 1.182) 16.615 2.212 ( -10.453 10.970 -8.624) 17.435 2.588 ( -3.249 23.063 7.755) 24.548 2.920 ( -8.381 -11.128 -28.136) 31.396 3.436 ( -13.638 20.248 8.050) 25.705 3.601 ( 4.861 -0.166 19.532) 20.128 5.445 ( -0.589 -24.729 -6.412) 25.553 6.403 ( 0.581 0.997 2.075) 2.375 6.500 ( -0.484 -0.339 -1.516) 1.627 6.904 ( 3.498 -4.179 -2.999) 6.220 6.965 ( 1.350 -1.022 3.001) 3.445 7.079 ( 3.748 -1.713 5.748) 7.072 7.444 ( -9.084 -1.683 -2.260) 9.511 7.849 ( -2.118 -0.210 -7.209) 7.517 8.397 ( 0.302 -16.260 3.978) 16.742 9.809 ( 4.796 -8.434 -5.712) 11.259 56.147 ( -0.031 0.497 -0.031) 0.498 56.156 ( -0.435 0.756 0.056) 0.874 ======================= Grid point 408 (174/372) ======================= q-point: (-0.21 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -7.550 18.439 -2.101) 20.035 1.810 ( -19.296 15.723 -6.593) 25.750 2.178 ( -5.149 23.971 6.059) 25.255 2.832 ( -9.099 10.372 -6.949) 15.449 3.035 ( -11.779 4.799 -5.248) 13.760 3.744 ( 7.184 -0.624 16.001) 17.551 5.785 ( 0.112 -18.815 -4.565) 19.362 6.361 ( 2.676 4.715 1.292) 5.574 6.523 ( -3.654 -3.460 1.838) 5.357 6.913 ( -1.418 3.031 -0.780) 3.436 7.060 ( 5.926 -6.232 0.075) 8.600 7.248 ( -0.740 -11.523 6.355) 13.180 7.386 ( -6.490 -2.895 -3.484) 7.914 7.832 ( -0.294 -2.191 -7.124) 7.459 8.689 ( 1.773 -15.877 6.603) 17.286 9.936 ( 3.050 -5.385 -10.539) 12.222 56.133 ( -0.384 0.911 0.283) 1.029 56.145 ( -0.057 0.346 -0.223) 0.416 ======================= Grid point 409 (175/372) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -6.400 15.832 1.174) 17.118 1.330 ( -24.753 12.671 5.823) 28.411 1.757 ( -7.020 20.524 -0.107) 21.691 2.425 ( -2.921 29.641 24.935) 38.844 2.966 ( -9.153 -9.538 -22.314) 25.936 3.830 ( 4.343 1.963 3.524) 5.927 6.030 ( 1.274 -11.790 -1.725) 11.983 6.340 ( 4.954 3.064 1.255) 5.959 6.535 ( -6.379 -3.352 2.621) 7.668 6.831 ( -4.949 2.364 -1.628) 5.721 7.211 ( 2.420 -5.046 5.315) 7.718 7.364 ( -2.684 -4.868 -3.448) 6.541 7.470 ( -1.465 -11.232 2.312) 11.561 7.865 ( 0.975 -4.305 -8.919) 9.951 8.985 ( 3.373 -13.347 10.495) 17.310 9.978 ( 1.964 -1.517 -12.627) 12.868 56.116 ( -0.363 0.754 0.352) 0.908 56.139 ( 0.042 0.293 -0.281) 0.408 ======================= Grid point 410 (176/372) ======================= q-point: (-0.07 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 0.997 -9.138 24.003) 25.703 0.997 ( -15.714 2.249 17.805) 23.854 1.417 ( -4.945 9.630 -3.589) 11.404 2.011 ( 2.569 32.274 33.475) 46.570 2.969 ( -6.934 -8.313 -17.731) 20.775 3.787 ( 0.400 4.405 -10.697) 11.575 6.193 ( 3.048 -6.032 0.841) 6.811 6.345 ( 2.932 2.905 -0.240) 4.134 6.532 ( -4.315 -3.068 1.986) 5.655 6.730 ( -6.759 1.567 -2.392) 7.339 7.306 ( -3.731 -5.695 2.255) 7.172 7.408 ( 2.199 -0.833 -1.196) 2.639 7.607 ( -3.624 -7.109 1.033) 8.046 7.914 ( 0.606 -3.850 -10.642) 11.333 9.241 ( 3.681 -8.024 13.403) 16.050 9.971 ( 3.633 0.316 -8.582) 9.325 56.105 ( -0.217 0.412 0.414) 0.624 56.134 ( 0.055 0.237 -0.371) 0.443 ======================= Grid point 412 (177/372) ======================= q-point: ( 0.07 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 22.728 0.000 7.588) 23.961 1.573 ( 21.000 0.000 -5.718) 21.765 1.900 ( 16.640 0.000 28.230) 32.769 2.163 ( 8.660 0.000 33.610) 34.707 2.739 ( -2.165 -0.000 -16.086) 16.232 3.477 ( -2.958 -0.000 -24.019) 24.201 6.212 ( -2.300 -0.000 1.710) 2.866 6.447 ( -1.897 -0.000 -4.487) 4.871 6.550 ( 5.459 0.000 2.802) 6.136 6.709 ( 7.534 0.000 0.625) 7.560 7.169 ( -7.627 -0.000 6.350) 9.924 7.440 ( 0.013 0.000 -0.893) 0.893 7.504 ( -6.252 -0.000 1.451) 6.418 7.886 ( 2.734 0.000 -6.123) 6.705 9.445 ( -4.254 -0.000 10.943) 11.740 10.039 ( 2.820 0.000 -13.138) 13.438 56.106 ( 0.222 0.000 0.433) 0.486 56.131 ( 0.206 0.000 -0.411) 0.460 ======================= Grid point 413 (178/372) ======================= q-point: ( 0.14 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 24.801 -3.710 8.466) 26.468 1.668 ( 15.356 22.849 22.423) 35.506 1.930 ( 22.889 -0.441 2.545) 23.034 2.371 ( -2.841 11.102 -18.256) 21.554 2.910 ( 12.535 -25.512 20.655) 35.137 3.526 ( -1.941 -16.226 -20.626) 26.314 6.188 ( -1.278 2.919 0.633) 3.249 6.389 ( -4.335 -0.472 -5.548) 7.057 6.630 ( 5.788 -0.126 4.786) 7.511 6.783 ( 7.322 0.866 2.221) 7.700 7.078 ( -6.876 4.856 4.963) 9.772 7.389 ( -3.788 5.676 1.193) 6.927 7.460 ( -1.549 -1.512 0.801) 2.308 7.884 ( 4.341 2.430 -4.899) 6.982 9.380 ( -6.283 4.424 9.798) 12.452 9.919 ( 0.227 10.794 -15.012) 18.491 56.113 ( 0.307 -0.273 0.373) 0.555 56.135 ( 0.271 -0.326 -0.369) 0.562 ======================= Grid point 414 (179/372) ======================= q-point: ( 0.21 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 10.741 19.858 30.798) 38.187 1.679 ( 24.863 5.609 -1.364) 25.524 2.088 ( 4.589 7.468 -15.400) 17.720 2.255 ( 19.373 -9.309 -4.522) 21.965 3.525 ( 10.637 -24.311 15.939) 30.955 3.760 ( -0.636 -19.700 -15.647) 25.166 6.034 ( -5.538 11.268 -5.320) 13.636 6.371 ( -1.195 -2.287 -2.288) 3.449 6.688 ( 0.269 -0.732 4.802) 4.865 6.809 ( 5.943 11.001 8.337) 15.028 6.930 ( -2.505 2.896 -1.828) 4.243 7.253 ( -2.378 7.237 4.899) 9.056 7.486 ( -0.135 -2.322 -0.537) 2.387 7.861 ( 4.291 4.125 -5.419) 8.049 9.274 ( -5.059 4.576 10.667) 12.662 9.618 ( -1.728 18.166 -15.489) 23.935 56.123 ( 0.321 -0.411 0.256) 0.581 56.145 ( 0.331 -0.552 -0.261) 0.694 ======================= Grid point 415 (180/372) ======================= q-point: ( 0.29 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 12.131 11.426 25.494) 30.458 1.711 ( 14.708 4.801 -11.554) 19.310 2.220 ( 17.091 -4.799 2.380) 17.911 2.587 ( 15.189 -10.818 -3.562) 18.985 3.978 ( 5.562 -15.378 4.899) 17.071 4.014 ( 0.358 -16.362 -9.899) 19.127 5.689 ( -8.036 18.881 -7.708) 21.920 6.407 ( 0.375 -2.719 -1.628) 3.191 6.572 ( -3.768 14.222 10.512) 18.082 6.731 ( 4.058 2.006 -0.178) 4.531 6.933 ( 3.040 1.072 -1.171) 3.429 7.158 ( -1.606 4.241 7.992) 9.189 7.525 ( 1.314 -2.075 -1.199) 2.733 7.796 ( 3.095 5.901 -6.028) 8.986 9.205 ( -1.374 9.795 -0.118) 9.892 9.232 ( -3.462 13.601 -2.208) 14.207 56.134 ( 0.297 -0.441 0.118) 0.545 56.157 ( 0.362 -0.655 -0.125) 0.759 ======================= Grid point 416 (181/372) ======================= q-point: ( 0.36 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 10.374 -2.268 16.180) 19.353 1.867 ( 18.132 -4.880 -1.897) 18.873 2.465 ( 13.666 -3.847 2.807) 14.472 2.889 ( 10.997 -10.440 -1.477) 15.235 4.142 ( -0.006 -3.574 -4.994) 6.141 4.217 ( 0.203 -7.556 -4.769) 8.938 5.249 ( -7.471 20.592 -7.034) 23.007 6.341 ( 0.876 10.885 7.481) 13.237 6.485 ( 2.079 -1.224 2.175) 3.248 6.753 ( 1.807 -1.659 -2.203) 3.297 6.913 ( 1.063 3.544 -0.070) 3.701 7.123 ( -2.024 1.081 5.642) 6.091 7.563 ( 1.099 -0.668 -1.072) 1.675 7.723 ( 4.366 4.370 -3.267) 6.988 8.824 ( -2.024 19.038 -12.627) 22.934 9.205 ( -1.198 1.700 12.110) 12.287 56.144 ( 0.268 -0.397 -0.002) 0.479 56.171 ( 0.327 -0.618 -0.000) 0.699 ======================= Grid point 417 (182/372) ======================= q-point: ( 0.43 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 6.213 -9.988 8.374) 14.439 2.159 ( 18.651 -5.484 2.521) 19.604 2.638 ( 9.163 -2.578 0.851) 9.557 3.136 ( 6.608 -8.672 0.442) 10.911 4.056 ( -1.347 12.139 -0.020) 12.213 4.231 ( -3.434 -0.432 -10.994) 11.526 4.879 ( -5.141 12.964 -4.260) 14.582 6.254 ( 4.437 6.411 7.172) 10.594 6.530 ( 1.704 -0.593 1.624) 2.428 6.804 ( 1.408 -1.360 -0.107) 1.960 6.868 ( -0.339 -0.655 -1.541) 1.708 7.105 ( -1.240 0.656 0.823) 1.626 7.552 ( -1.283 0.821 1.034) 1.841 7.743 ( 6.624 0.606 0.552) 6.674 8.488 ( -2.106 14.850 -10.147) 18.108 9.207 ( -0.645 1.113 9.339) 9.427 56.152 ( 0.236 -0.293 -0.089) 0.387 56.183 ( 0.215 -0.437 0.094) 0.496 ======================= Grid point 418 (183/372) ======================= q-point: ( 0.50 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 1.660 -8.523 3.917) 9.526 2.396 ( 15.920 -0.541 0.702) 15.945 2.755 ( 6.644 -2.066 -1.679) 7.157 3.293 ( 2.441 -3.987 1.176) 4.821 3.781 ( -1.528 17.438 4.500) 18.074 4.127 ( -5.265 1.940 -12.624) 13.815 4.696 ( -3.918 4.031 -0.076) 5.622 6.241 ( 4.304 3.417 3.085) 6.302 6.548 ( 0.424 -0.074 1.042) 1.127 6.798 ( 0.252 1.268 3.300) 3.544 6.958 ( 3.436 -6.069 -2.336) 7.355 7.077 ( -0.269 1.364 -1.854) 2.318 7.538 ( -2.138 -0.179 4.007) 4.545 7.802 ( 4.480 0.323 1.955) 4.898 8.228 ( -3.177 10.153 -8.644) 13.707 9.230 ( 0.511 -1.658 5.579) 5.843 56.157 ( 0.197 -0.136 -0.143) 0.279 56.190 ( 0.043 -0.138 0.143) 0.203 ======================= Grid point 419 (184/372) ======================= q-point: (-0.43 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -0.149 0.766 3.787) 3.867 2.495 ( 8.462 2.908 -7.473) 11.658 2.818 ( 5.634 1.439 -3.073) 6.576 3.309 ( -0.492 3.848 1.202) 4.061 3.584 ( 1.410 8.036 10.284) 13.127 4.008 ( -6.319 0.444 -9.009) 11.013 4.634 ( -5.827 -2.216 0.025) 6.235 6.245 ( 2.492 0.589 -1.196) 2.826 6.561 ( -0.527 -1.530 0.198) 1.631 6.802 ( 2.254 1.716 4.388) 5.223 7.018 ( 2.352 3.302 1.330) 4.267 7.109 ( 3.756 -4.886 -4.902) 7.875 7.526 ( -2.457 1.264 4.975) 5.690 7.837 ( -0.545 -2.010 1.906) 2.823 8.031 ( -3.984 6.096 -7.402) 10.383 9.322 ( 2.027 -6.586 1.722) 7.103 56.159 ( 0.158 0.048 -0.167) 0.235 56.189 ( -0.150 0.226 0.150) 0.310 ======================= Grid point 420 (185/372) ======================= q-point: (-0.36 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -0.460 9.981 4.734) 11.057 2.430 ( -0.201 4.407 -15.999) 16.596 2.804 ( 3.933 4.837 -6.715) 9.163 3.171 ( -2.385 11.627 1.527) 11.967 3.590 ( 4.026 1.276 15.757) 16.314 3.900 ( -7.664 4.413 -0.034) 8.844 4.690 ( -5.452 -14.741 -3.606) 16.126 6.270 ( 0.183 -3.131 -4.379) 5.386 6.581 ( 0.140 -0.625 -0.583) 0.867 6.813 ( 2.773 1.636 3.878) 5.041 6.999 ( 3.257 2.526 2.896) 5.038 7.176 ( 3.806 0.505 -4.440) 5.870 7.459 ( -4.635 4.185 2.598) 6.764 7.862 ( -4.871 -1.883 -7.347) 9.014 7.956 ( -0.450 -5.291 4.203) 6.772 9.484 ( 1.977 -10.120 -2.440) 10.596 56.158 ( 0.133 0.217 -0.167) 0.305 56.181 ( -0.315 0.578 0.138) 0.673 ======================= Grid point 421 (186/372) ======================= q-point: (-0.29 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -1.434 15.807 4.824) 16.589 2.270 ( -2.907 7.085 -17.667) 19.256 2.674 ( -5.383 4.399 -19.501) 20.703 2.897 ( -3.671 18.393 0.117) 18.756 3.671 ( -7.757 14.918 10.936) 20.058 3.712 ( 6.913 -1.540 21.147) 22.301 4.990 ( -1.405 -26.065 -4.604) 26.505 6.320 ( -2.298 -6.086 -5.232) 8.348 6.567 ( 2.268 3.492 -1.114) 4.310 6.843 ( 1.869 -2.209 0.436) 2.926 7.019 ( 2.633 1.775 4.156) 5.230 7.159 ( 2.932 2.357 -1.752) 4.150 7.331 ( -8.372 2.688 -0.603) 8.813 7.812 ( -1.205 -0.097 -7.017) 7.120 8.157 ( 0.807 -14.641 6.570) 16.068 9.654 ( 0.115 -10.767 -7.210) 12.959 56.154 ( 0.137 0.343 -0.144) 0.397 56.165 ( -0.411 0.830 0.131) 0.935 ======================= Grid point 422 (187/372) ======================= q-point: (-0.21 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -2.467 19.827 2.335) 20.115 1.958 ( -7.075 20.481 -10.943) 24.275 2.453 ( -11.065 11.647 -13.864) 21.220 2.560 ( -6.114 3.240 -21.626) 22.706 3.372 ( -1.791 21.564 22.418) 31.157 3.882 ( 8.154 -0.060 19.527) 21.161 5.413 ( 1.594 -25.603 -2.879) 25.814 6.377 ( -4.226 -6.288 -2.902) 8.113 6.519 ( 4.120 5.480 -1.106) 6.945 6.936 ( -1.645 -5.347 -2.392) 6.084 6.967 ( 0.634 1.641 -1.801) 2.517 7.202 ( 0.068 0.956 7.277) 7.340 7.235 ( -4.497 -4.932 -3.374) 7.479 7.795 ( 0.572 -0.689 -6.212) 6.277 8.463 ( 3.170 -16.843 7.985) 18.907 9.779 ( -2.368 -9.600 -11.759) 15.364 56.146 ( -0.275 0.937 0.204) 0.997 56.150 ( 0.027 0.403 -0.172) 0.439 ======================= Grid point 423 (188/372) ======================= q-point: (-0.14 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -4.088 22.675 -3.550) 23.312 1.450 ( -13.642 23.122 3.760) 27.108 2.033 ( -3.586 21.767 -8.237) 23.548 2.509 ( -8.570 -12.100 -30.016) 33.479 3.081 ( 4.496 26.009 27.631) 38.212 3.967 ( 5.471 4.891 9.987) 12.393 5.813 ( 5.573 -19.099 0.676) 19.907 6.409 ( -6.702 -4.862 -1.839) 8.482 6.477 ( 5.935 5.372 1.046) 8.073 6.823 ( -5.976 4.057 -3.392) 7.980 7.128 ( -1.433 -9.296 0.234) 9.409 7.183 ( -3.877 -7.340 -2.655) 8.715 7.349 ( 2.750 -5.099 4.517) 7.347 7.803 ( 1.209 -1.774 -6.836) 7.165 8.809 ( 4.525 -16.532 10.518) 20.110 9.845 ( -3.878 -7.962 -14.257) 16.784 56.128 ( -0.280 0.916 0.288) 1.000 56.145 ( 0.151 0.378 -0.219) 0.462 ======================= Grid point 424 (189/372) ======================= q-point: (-0.07 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -1.649 1.038 18.416) 18.519 1.050 ( -7.576 14.894 14.869) 22.368 1.666 ( 5.896 19.776 -9.640) 22.777 2.523 ( -4.774 -4.545 -14.123) 15.585 2.809 ( 5.671 20.996 18.284) 28.413 3.894 ( 1.650 9.599 -3.351) 10.300 6.140 ( 9.340 -9.906 3.107) 13.965 6.364 ( -6.970 -0.509 -2.846) 7.546 6.504 ( 5.441 0.084 3.918) 6.706 6.692 ( -5.684 2.747 -4.000) 7.473 7.174 ( -6.130 -5.529 2.651) 8.670 7.355 ( 0.033 -10.569 -4.106) 11.339 7.457 ( 0.074 -4.161 4.130) 5.863 7.831 ( 1.102 -3.050 -8.196) 8.814 9.140 ( 3.571 -13.434 12.570) 18.741 9.887 ( -2.100 -7.377 -12.811) 14.932 56.114 ( -0.118 0.691 0.373) 0.794 56.139 ( 0.148 0.384 -0.321) 0.522 ======================= Grid point 427 (190/372) ======================= q-point: ( 0.14 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 27.144 0.000 8.763) 28.524 1.985 ( 20.655 0.000 -2.172) 20.769 2.360 ( -0.186 -0.000 -7.184) 7.186 2.399 ( 15.486 0.000 18.205) 23.901 2.831 ( 15.175 0.000 12.489) 19.653 3.265 ( -1.068 -0.000 -24.109) 24.132 6.239 ( 2.688 0.000 3.329) 4.279 6.309 ( -5.427 -0.000 -6.945) 8.814 6.677 ( 0.150 0.000 6.688) 6.690 6.861 ( 6.320 0.000 1.734) 6.553 7.085 ( -3.111 -0.000 4.074) 5.126 7.411 ( -4.714 -0.000 5.233) 7.043 7.429 ( -0.105 -0.000 -0.626) 0.634 7.943 ( 5.373 0.000 -3.834) 6.600 9.354 ( -9.975 -0.000 7.695) 12.599 9.958 ( -0.973 -0.000 -16.507) 16.535 56.116 ( 0.426 0.000 0.342) 0.546 56.134 ( 0.336 0.000 -0.356) 0.490 ======================= Grid point 428 (191/372) ======================= q-point: ( 0.21 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 17.619 6.321 12.464) 22.488 2.113 ( 12.306 12.550 -3.238) 17.873 2.240 ( 10.249 4.464 -7.469) 13.445 2.416 ( 18.650 9.023 4.631) 21.229 3.311 ( 14.405 -22.147 9.803) 28.180 3.376 ( 2.347 -18.075 -15.644) 24.020 6.140 ( -4.034 8.634 -3.636) 10.200 6.328 ( 1.665 -2.858 -0.577) 3.358 6.672 ( -5.255 0.068 6.734) 8.542 6.931 ( 4.286 -0.320 1.535) 4.564 7.031 ( 1.142 6.334 2.844) 7.037 7.344 ( -3.199 4.664 7.048) 9.037 7.448 ( 0.178 -1.929 -0.125) 1.941 7.960 ( 5.533 3.288 -4.157) 7.662 9.264 ( -9.911 0.547 7.882) 12.675 9.793 ( -2.256 10.935 -16.492) 19.916 56.123 ( 0.459 -0.185 0.255) 0.557 56.140 ( 0.383 -0.338 -0.283) 0.584 ======================= Grid point 429 (192/372) ======================= q-point: ( 0.29 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 10.322 14.557 3.105) 18.113 1.978 ( 10.334 11.499 7.819) 17.325 2.414 ( 22.720 0.556 2.976) 22.921 2.597 ( 16.137 -5.299 -3.523) 17.346 3.660 ( 1.824 -20.434 -13.855) 24.756 3.809 ( 10.731 -16.922 3.852) 20.404 5.883 ( -5.727 15.178 -3.230) 16.541 6.389 ( 3.351 -1.832 -1.492) 4.100 6.616 ( -7.614 1.071 6.562) 10.108 6.875 ( 0.035 8.217 -0.628) 8.241 7.012 ( 5.982 2.615 1.829) 6.780 7.254 ( -2.589 5.786 9.856) 11.719 7.492 ( 1.109 -2.779 -1.094) 3.186 7.920 ( 4.861 6.177 -4.827) 9.224 9.207 ( -7.662 -1.266 9.819) 12.519 9.476 ( -2.359 17.832 -15.001) 23.421 56.132 ( 0.432 -0.279 0.137) 0.532 56.151 ( 0.396 -0.570 -0.167) 0.714 ======================= Grid point 430 (193/372) ======================= q-point: ( 0.36 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 12.772 8.335 12.107) 19.472 2.024 ( 15.470 1.706 7.552) 17.299 2.632 ( 19.406 1.092 2.757) 19.632 2.842 ( 11.291 -8.350 -4.191) 14.655 3.935 ( 0.560 -15.193 -9.819) 18.098 4.101 ( 5.750 -8.773 -5.043) 11.639 5.519 ( -5.519 20.909 -0.899) 21.644 6.426 ( 0.972 0.919 -1.991) 2.399 6.556 ( -1.007 1.738 8.750) 8.978 6.757 ( -0.066 4.360 -3.210) 5.415 7.011 ( 3.851 4.809 -0.284) 6.168 7.171 ( -2.638 4.399 8.738) 10.132 7.544 ( 0.998 -2.241 -1.649) 2.956 7.849 ( 5.122 6.197 -2.815) 8.518 9.095 ( -1.795 19.933 -11.864) 23.266 9.201 ( -5.903 -1.895 9.883) 11.666 56.141 ( 0.391 -0.309 0.032) 0.500 56.164 ( 0.350 -0.647 -0.057) 0.738 ======================= Grid point 431 (194/372) ======================= q-point: ( 0.43 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 10.797 3.764 17.372) 20.797 2.271 ( 18.486 -6.497 3.539) 19.912 2.785 ( 16.062 3.436 2.492) 16.613 3.064 ( 7.045 -8.685 -3.125) 11.612 4.063 ( -2.596 -4.830 -9.434) 10.912 4.194 ( 2.597 -0.181 -7.311) 7.761 5.114 ( -4.406 21.337 1.929) 21.872 6.375 ( -0.221 4.123 2.682) 4.924 6.604 ( 6.310 0.702 5.389) 8.327 6.728 ( -1.177 -3.531 -4.531) 5.864 6.919 ( -1.353 7.174 0.493) 7.317 7.130 ( 0.484 1.833 2.438) 3.088 7.557 ( -0.638 0.450 -0.278) 0.829 7.834 ( 6.225 2.289 0.743) 6.674 8.728 ( -0.613 18.993 -9.230) 21.126 9.201 ( -5.688 -1.591 8.085) 10.013 56.150 ( 0.353 -0.275 -0.043) 0.450 56.177 ( 0.233 -0.566 0.023) 0.612 ======================= Grid point 432 (195/372) ======================= q-point: ( 0.50 0.14 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 6.364 -0.590 13.431) 14.875 2.568 ( 17.934 -4.171 0.940) 18.437 2.875 ( 14.312 5.016 1.887) 15.283 3.241 ( 3.777 -6.647 -1.133) 7.728 3.987 ( -3.651 6.291 -6.866) 10.002 4.109 ( -1.097 7.831 -6.865) 10.472 4.794 ( -3.940 13.065 4.252) 14.293 6.321 ( 0.351 3.390 0.605) 3.461 6.638 ( 4.727 5.265 2.960) 7.670 6.815 ( 0.689 -2.255 2.387) 3.355 6.825 ( -1.404 -5.788 -5.251) 7.940 7.117 ( 1.949 2.145 0.101) 2.900 7.536 ( -1.919 0.793 4.358) 4.827 7.877 ( 5.124 1.184 1.341) 5.427 8.406 ( -0.399 16.616 -7.429) 18.206 9.195 ( -4.811 -2.311 4.407) 6.922 56.157 ( 0.313 -0.174 -0.090) 0.369 56.187 ( 0.064 -0.344 0.061) 0.355 ======================= Grid point 433 (196/372) ======================= q-point: (-0.43 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 2.986 -1.608 8.793) 9.425 2.720 ( 14.069 7.093 -2.848) 16.011 2.943 ( 13.267 4.105 -0.404) 13.894 3.336 ( 1.368 -1.402 0.573) 2.041 3.793 ( 0.011 11.365 5.131) 12.470 3.935 ( -5.475 4.453 -10.554) 12.696 4.612 ( -6.076 5.983 4.468) 9.626 6.269 ( -0.303 2.360 -3.842) 4.519 6.584 ( 0.580 3.419 1.597) 3.818 6.842 ( 2.140 -1.411 -0.649) 2.644 6.990 ( 2.446 -9.689 -1.993) 10.189 7.098 ( 2.594 3.023 0.115) 3.985 7.526 ( -3.611 -0.108 9.434) 10.103 7.887 ( 3.257 3.328 0.212) 4.661 8.128 ( -1.368 13.218 -6.569) 14.824 9.223 ( -3.033 -5.511 0.104) 6.291 56.161 ( 0.271 -0.021 -0.112) 0.294 56.190 ( -0.120 -0.023 0.060) 0.136 ======================= Grid point 434 (197/372) ======================= q-point: (-0.36 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 1.335 3.359 5.871) 6.894 2.599 ( 6.643 16.523 -8.229) 19.618 2.981 ( 11.258 7.827 -4.664) 14.483 3.309 ( 0.290 6.206 2.014) 6.531 3.714 ( 0.996 3.526 13.371) 13.864 3.827 ( -4.296 -1.747 -6.672) 8.125 4.499 ( -6.995 -0.663 2.853) 7.583 6.218 ( -1.396 0.267 -8.021) 8.146 6.572 ( 0.506 -0.476 1.576) 1.723 6.872 ( 1.697 0.351 -0.519) 1.809 7.082 ( 3.536 2.623 1.572) 4.675 7.132 ( 0.945 -5.271 -4.404) 6.933 7.506 ( -5.232 1.619 8.444) 10.064 7.839 ( 3.078 6.669 -1.032) 7.417 7.946 ( -1.224 2.717 -1.822) 3.493 9.312 ( -2.399 -9.182 -4.384) 10.454 56.163 ( 0.238 0.149 -0.115) 0.303 56.185 ( -0.273 0.332 0.041) 0.432 ======================= Grid point 435 (198/372) ======================= q-point: (-0.29 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -0.449 11.110 3.745) 11.733 2.347 ( 2.695 14.095 -12.684) 19.152 2.818 ( 1.682 17.336 -11.474) 20.857 3.145 ( -0.180 15.373 -1.458) 15.443 3.747 ( -4.991 -1.231 12.268) 13.302 3.833 ( 3.882 -0.361 11.595) 12.233 4.602 ( -0.285 -17.016 1.318) 17.069 6.184 ( -3.066 -2.933 -11.450) 12.211 6.604 ( 1.603 -0.896 1.342) 2.274 6.864 ( 0.219 1.114 -0.663) 1.314 7.087 ( 0.496 2.693 2.624) 3.793 7.139 ( -2.104 -0.598 -2.468) 3.298 7.402 ( -1.521 7.375 -1.483) 7.674 7.768 ( -1.563 0.633 -3.886) 4.237 8.030 ( 5.465 -7.185 8.912) 12.685 9.426 ( -4.037 -10.988 -9.159) 14.863 56.161 ( 0.226 0.290 -0.107) 0.383 56.174 ( -0.354 0.644 0.037) 0.736 ======================= Grid point 436 (199/372) ======================= q-point: (-0.21 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -1.872 17.198 1.813) 17.394 2.143 ( 2.192 8.999 -14.947) 17.584 2.404 ( -9.242 21.420 -16.561) 28.609 2.798 ( -2.656 21.419 -7.559) 22.869 3.693 ( 0.708 9.069 18.166) 20.316 3.999 ( 5.981 -3.904 18.135) 19.490 5.006 ( 5.401 -26.269 1.667) 26.870 6.178 ( -5.645 -6.721 -13.267) 15.908 6.627 ( 3.239 1.831 1.128) 3.888 6.859 ( -1.005 -1.584 -0.607) 1.972 6.974 ( -8.902 3.082 0.392) 9.428 7.154 ( 1.333 0.990 -4.848) 5.124 7.293 ( 2.990 4.136 3.703) 6.305 7.753 ( -1.131 -2.045 -6.222) 6.647 8.300 ( 7.468 -12.452 11.891) 18.768 9.515 ( -6.740 -11.192 -13.689) 18.923 56.157 ( 0.076 0.440 -0.088) 0.455 56.158 ( -0.183 0.788 0.060) 0.811 ======================= Grid point 437 (200/372) ======================= q-point: (-0.14 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -2.992 23.506 -4.820) 24.181 1.770 ( -9.701 27.785 1.712) 29.479 2.109 ( -3.161 -3.840 -27.465) 27.911 2.411 ( 0.951 19.975 -10.455) 22.566 3.589 ( 6.289 16.988 23.864) 29.960 4.126 ( 4.520 2.261 11.656) 12.704 5.526 ( 9.580 -25.839 4.248) 27.884 6.195 ( -8.298 -8.816 -12.082) 17.104 6.621 ( 4.428 4.116 2.369) 6.493 6.795 ( -8.332 3.134 -2.563) 9.264 6.946 ( -3.904 -7.650 0.194) 8.591 7.101 ( 0.690 1.414 -5.583) 5.800 7.355 ( 4.620 -2.169 6.420) 8.202 7.763 ( 0.154 -2.206 -6.609) 6.969 8.643 ( 7.255 -14.752 12.722) 20.787 9.568 ( -8.456 -11.242 -16.526) 21.703 56.141 ( -0.253 0.885 0.153) 0.933 56.153 ( 0.258 0.448 -0.128) 0.533 ======================= Grid point 438 (201/372) ======================= q-point: (-0.07 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -5.975 18.774 2.778) 19.897 1.350 ( -1.127 18.648 11.859) 22.128 2.037 ( 9.836 14.149 -12.813) 21.474 2.187 ( -3.306 -5.859 -24.901) 25.793 3.414 ( 9.262 24.087 25.501) 36.281 4.078 ( 2.053 9.974 0.627) 10.202 6.040 ( 12.736 -19.720 6.290) 24.304 6.200 ( -8.701 -6.367 -8.389) 13.661 6.595 ( 0.198 3.856 0.464) 3.889 6.673 ( -3.061 1.739 -0.042) 3.521 7.015 ( -5.799 -6.105 -1.459) 8.546 7.152 ( 0.051 -8.489 -2.126) 8.752 7.454 ( 3.309 -1.968 4.072) 5.603 7.783 ( 1.332 -2.061 -6.588) 7.030 8.990 ( 4.679 -14.232 13.147) 19.932 9.623 ( -6.846 -12.631 -16.188) 21.644 56.126 ( -0.080 0.785 0.259) 0.830 56.147 ( 0.243 0.487 -0.215) 0.585 ======================= Grid point 442 (202/372) ======================= q-point: ( 0.21 0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 15.938 0.000 7.094) 17.446 2.276 ( 0.592 0.000 -8.240) 8.261 2.348 ( 15.365 0.000 -7.512) 17.103 2.690 ( 6.779 0.000 1.956) 7.055 3.231 ( 9.975 0.000 -6.452) 11.880 3.337 ( 25.121 0.000 7.375) 26.182 6.163 ( -4.384 -0.000 -4.967) 6.625 6.328 ( 3.652 0.000 1.815) 4.078 6.626 ( -7.922 -0.000 6.160) 10.035 6.984 ( 4.265 0.000 2.565) 4.977 7.105 ( 2.465 0.000 1.127) 2.710 7.376 ( -3.688 -0.000 9.905) 10.569 7.430 ( 0.388 0.000 -1.084) 1.151 8.036 ( 5.693 0.000 -3.687) 6.783 9.174 ( -11.353 -0.000 7.002) 13.339 9.798 ( -3.692 -0.000 -16.823) 17.223 56.127 ( 0.519 0.000 0.211) 0.560 56.140 ( 0.423 0.000 -0.252) 0.492 ======================= Grid point 443 (203/372) ======================= q-point: ( 0.29 0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 8.140 12.008 -16.925) 22.292 2.265 ( 5.303 6.522 21.560) 23.140 2.521 ( 9.811 -7.631 -10.724) 16.417 2.773 ( 15.007 2.000 2.630) 15.366 3.417 ( 11.582 -10.005 -3.874) 15.787 3.729 ( 20.180 -11.161 0.598) 23.068 6.031 ( -3.286 9.311 -1.942) 10.063 6.388 ( 3.314 -1.926 -1.418) 4.087 6.562 ( -7.527 -0.334 5.362) 9.248 6.993 ( 2.134 5.136 1.410) 5.738 7.110 ( 3.515 2.371 0.596) 4.282 7.340 ( -3.325 3.876 11.411) 12.502 7.451 ( 0.222 -2.584 -1.676) 3.088 8.046 ( 5.198 3.995 -4.056) 7.709 9.105 ( -10.422 -2.502 8.507) 13.684 9.622 ( -3.963 9.567 -15.665) 18.778 56.134 ( 0.502 -0.109 0.122) 0.528 56.147 ( 0.426 -0.341 -0.167) 0.570 ======================= Grid point 444 (204/372) ======================= q-point: ( 0.36 0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 14.502 4.789 -6.615) 16.643 2.262 ( 4.294 7.032 22.121) 23.606 2.721 ( 7.451 -10.205 -10.721) 16.571 2.922 ( 16.901 1.992 2.623) 17.219 3.706 ( 8.023 -12.681 -3.197) 15.343 4.045 ( 14.099 -6.849 -6.582) 17.001 5.786 ( -2.747 16.614 1.336) 16.892 6.415 ( -0.816 -0.598 -4.825) 4.930 6.559 ( -0.170 -2.632 6.386) 6.910 6.876 ( 0.179 9.689 0.418) 9.700 7.114 ( 4.309 2.418 -1.126) 5.067 7.258 ( -3.889 6.060 11.056) 13.194 7.501 ( 0.618 -3.350 -2.089) 3.996 7.997 ( 4.959 6.168 -3.190) 8.533 9.089 ( -10.249 -4.183 9.614) 14.661 9.331 ( -2.539 15.186 -13.273) 20.328 56.142 ( 0.454 -0.191 0.030) 0.493 56.158 ( 0.371 -0.543 -0.073) 0.661 ======================= Grid point 445 (205/372) ======================= q-point: ( 0.43 0.21 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 11.116 6.351 14.234) 19.144 2.349 ( 11.636 -4.572 6.819) 14.241 2.930 ( 5.493 -10.911 -8.668) 14.978 3.054 ( 15.387 3.305 2.908) 16.005 3.921 ( 2.596 -7.382 -5.222) 9.407 4.209 ( 9.991 -1.412 -7.891) 12.809 5.452 ( -2.231 21.882 4.283) 22.409 6.394 ( -1.844 -0.677 -2.548) 3.217 6.654 ( 3.955 -2.766 3.134) 5.754 6.729 ( 0.131 6.208 -0.201) 6.212 7.058 ( -0.726 9.394 3.451) 10.034 7.180 ( 0.922 2.245 2.138) 3.234 7.544 ( 0.123 -1.617 -1.206) 2.021 7.952 ( 5.245 4.516 -0.217) 6.925 8.986 ( -3.232 15.142 -6.395) 16.751 9.102 ( -8.082 -1.956 4.203) 9.317 56.150 ( 0.410 -0.232 -0.028) 0.471 56.170 ( 0.248 -0.579 -0.013) 0.630 ======================= Grid point 446 (206/372) ======================= q-point: ( 0.50 0.21 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 3.843 6.097 18.743) 20.080 2.639 ( 17.562 -7.956 -0.800) 19.297 3.125 ( 3.207 -10.211 -6.066) 12.302 3.150 ( 14.475 5.044 4.192) 15.891 3.962 ( -0.545 0.091 -8.114) 8.133 4.233 ( 4.847 6.192 -4.830) 9.228 5.080 ( -2.103 22.208 7.520) 23.541 6.373 ( -0.793 1.970 -0.222) 2.135 6.643 ( -1.274 -2.356 -7.037) 7.529 6.801 ( 3.919 -3.249 3.015) 5.917 6.871 ( -1.147 10.528 4.905) 11.671 7.181 ( 3.921 1.987 -0.662) 4.446 7.547 ( -0.999 0.626 2.710) 2.955 7.955 ( 4.510 2.138 1.390) 5.181 8.673 ( 0.463 17.675 -7.020) 19.024 9.079 ( -9.662 -4.202 3.426) 11.079 56.157 ( 0.370 -0.203 -0.056) 0.426 56.181 ( 0.077 -0.466 0.004) 0.472 ======================= Grid point 447 (207/372) ======================= q-point: ( 0.57 0.21 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 1.912 2.196 15.578) 15.848 2.892 ( 16.050 -1.625 -4.712) 16.806 3.206 ( 11.867 6.587 3.421) 13.997 3.280 ( 1.927 -7.159 -3.077) 8.027 3.893 ( 0.560 4.208 -5.484) 6.935 4.061 ( -1.187 14.709 -3.329) 15.127 4.765 ( -3.069 16.395 10.265) 19.585 6.304 ( -0.997 4.220 -3.374) 5.494 6.654 ( -2.102 3.860 -1.690) 4.708 6.729 ( -3.147 -6.360 -7.531) 10.347 6.950 ( 6.528 -2.535 6.616) 9.634 7.181 ( 4.356 2.990 -0.470) 5.304 7.533 ( -2.406 1.144 9.107) 9.489 7.961 ( 2.589 2.287 0.690) 3.523 8.377 ( 2.091 17.597 -6.162) 18.762 9.072 ( -8.051 -5.994 -0.964) 10.084 56.163 ( 0.331 -0.100 -0.061) 0.351 56.187 ( -0.102 -0.232 -0.015) 0.253 ======================= Grid point 448 (208/372) ======================= q-point: (-0.36 0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 2.085 1.370 12.049) 12.304 2.926 ( 9.448 13.069 -6.689) 17.459 3.217 ( 10.224 5.635 -0.640) 11.691 3.374 ( 2.948 -1.919 0.534) 3.558 3.771 ( -5.311 12.023 -5.224) 14.143 3.838 ( 0.533 3.026 1.740) 3.532 4.549 ( -2.503 10.304 11.795) 15.861 6.202 ( -2.243 3.467 -9.212) 10.095 6.582 ( -0.765 1.059 0.363) 1.355 6.805 ( -2.757 -6.710 -6.768) 9.921 7.060 ( 2.217 -3.161 1.343) 4.088 7.174 ( 4.697 3.195 0.263) 5.687 7.507 ( -4.999 2.483 12.963) 14.113 7.957 ( 2.590 0.860 0.879) 2.867 8.108 ( 4.322 16.601 -4.314) 17.689 9.107 ( -6.488 -8.452 -5.740) 12.103 56.167 ( 0.295 0.050 -0.050) 0.304 56.186 ( -0.245 0.073 -0.054) 0.261 ======================= Grid point 449 (209/372) ======================= q-point: (-0.29 0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 0.611 7.752 6.699) 10.264 2.678 ( 5.522 20.923 -5.681) 22.372 3.115 ( 3.669 17.506 -5.574) 18.735 3.397 ( 7.018 11.623 -0.902) 13.607 3.620 ( -7.084 -7.430 3.139) 10.735 3.814 ( -5.031 -3.474 0.899) 6.179 4.517 ( 6.204 -0.325 14.813) 16.063 6.095 ( -3.541 1.098 -14.738) 15.198 6.598 ( 1.095 -1.852 1.683) 2.732 6.827 ( -4.221 -2.593 -3.809) 6.249 7.076 ( -4.408 0.568 -1.529) 4.700 7.182 ( 4.992 2.011 0.364) 5.394 7.443 ( -3.855 2.555 6.096) 7.652 7.850 ( -1.082 10.365 -4.684) 11.426 8.081 ( 11.297 -0.829 9.322) 14.670 9.164 ( -7.104 -9.941 -10.490) 16.103 56.167 ( 0.269 0.206 -0.027) 0.340 56.179 ( -0.309 0.382 -0.083) 0.498 ======================= Grid point 450 (210/372) ======================= q-point: (-0.21 0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -2.039 13.932 0.366) 14.086 2.384 ( 5.510 19.072 -6.006) 20.741 2.716 ( -5.057 26.854 -8.083) 28.497 3.101 ( -1.278 20.853 -6.947) 22.017 3.788 ( 2.978 -5.313 10.435) 12.082 3.922 ( -2.673 -13.575 7.921) 15.943 4.777 ( 11.827 -13.416 13.547) 22.436 5.997 ( -5.493 -1.650 -18.960) 19.808 6.656 ( 2.149 -1.720 2.283) 3.576 6.798 ( -5.463 -1.811 -0.518) 5.779 6.957 ( -7.308 5.020 -0.362) 8.873 7.205 ( 4.681 1.620 -2.580) 5.584 7.392 ( 0.522 3.202 1.498) 3.574 7.706 ( -1.585 2.842 -4.666) 5.688 8.298 ( 11.704 -5.809 13.900) 19.077 9.206 ( -9.203 -10.433 -14.876) 20.368 56.165 ( 0.008 0.429 -0.010) 0.429 56.168 ( -0.029 0.532 -0.071) 0.538 ======================= Grid point 451 (211/372) ======================= q-point: (-0.14 0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -2.123 16.834 -3.824) 17.393 2.055 ( -8.592 24.467 -20.222) 32.884 2.203 ( 2.638 19.905 3.043) 20.308 2.743 ( 2.764 20.165 -7.607) 21.729 3.888 ( 5.686 3.474 16.269) 17.580 4.145 ( 0.683 -8.501 8.094) 11.758 5.247 ( 12.048 -23.015 10.456) 28.003 5.925 ( -7.381 -6.073 -19.728) 21.922 6.690 ( 0.106 0.351 3.927) 3.944 6.786 ( -6.139 5.537 -2.018) 8.509 6.808 ( -3.567 -4.259 1.284) 5.702 7.173 ( 3.361 5.247 -5.992) 8.645 7.396 ( 3.176 -0.402 5.271) 6.167 7.685 ( -0.977 -3.213 -6.474) 7.293 8.584 ( 10.297 -9.138 15.239) 20.537 9.224 ( -10.676 -11.215 -17.869) 23.644 56.152 ( -0.232 0.733 0.009) 0.769 56.163 ( 0.320 0.456 -0.038) 0.559 ======================= Grid point 452 (212/372) ======================= q-point: (-0.07 0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -4.827 28.007 -6.510) 29.156 1.596 ( -3.853 11.445 -3.207) 12.495 2.047 ( 6.467 7.416 -8.471) 12.984 2.463 ( 9.187 18.443 -7.117) 21.799 3.883 ( 7.593 12.956 18.888) 24.130 4.217 ( 1.065 3.135 1.406) 3.597 5.763 ( 0.940 -23.128 -0.566) 23.154 5.969 ( 2.229 -13.353 -6.270) 14.920 6.612 ( -6.866 5.240 -2.322) 8.944 6.696 ( -0.573 0.402 5.381) 5.426 6.877 ( -0.829 -5.154 -1.060) 5.327 7.114 ( 1.842 2.315 -2.549) 3.905 7.469 ( 2.973 -1.819 3.548) 4.973 7.724 ( 0.628 -4.029 -6.872) 7.991 8.888 ( 6.892 -10.601 15.121) 19.711 9.260 ( -9.240 -13.925 -18.173) 24.689 56.139 ( -0.070 0.734 0.106) 0.745 56.158 ( 0.321 0.537 -0.094) 0.633 ======================= Grid point 457 (213/372) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 6.629 0.000 -15.210) 16.591 2.398 ( 1.855 0.000 -19.971) 20.057 2.420 ( 1.086 0.000 20.565) 20.594 2.945 ( 15.712 0.000 5.515) 16.651 3.496 ( 13.900 0.000 3.186) 14.260 3.890 ( 26.017 0.000 -3.113) 26.203 6.088 ( -0.573 -0.000 -1.623) 1.721 6.399 ( 2.932 0.000 -0.803) 3.040 6.494 ( -6.917 -0.000 3.960) 7.971 7.076 ( 3.952 0.000 1.226) 4.138 7.165 ( 2.384 0.000 0.501) 2.437 7.378 ( -3.776 -0.000 13.389) 13.911 7.409 ( -1.297 -0.000 -3.634) 3.859 8.114 ( 4.217 0.000 -4.728) 6.335 8.999 ( -10.907 -0.000 9.284) 14.324 9.601 ( -4.910 -0.000 -15.273) 16.043 56.139 ( 0.506 0.000 0.090) 0.514 56.148 ( 0.416 0.000 -0.141) 0.439 ======================= Grid point 458 (214/372) ======================= q-point: ( 0.36 0.29 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 11.509 4.071 -10.091) 15.839 2.426 ( -3.302 2.498 16.705) 17.210 2.520 ( 2.669 -11.326 -12.852) 17.337 3.120 ( 14.848 0.620 4.889) 15.645 3.687 ( 13.173 -4.410 2.617) 14.136 4.143 ( 21.243 -1.606 -6.683) 22.327 6.002 ( 0.638 10.115 0.746) 10.162 6.388 ( -1.831 1.448 -2.915) 3.734 6.514 ( 0.389 -4.944 3.653) 6.159 7.048 ( 2.080 8.743 1.367) 9.090 7.173 ( 3.587 0.745 -1.709) 4.042 7.344 ( -4.236 4.191 12.374) 13.734 7.430 ( -0.736 -4.464 -2.359) 5.102 8.107 ( 3.349 3.152 -5.348) 7.054 8.943 ( -11.723 -2.979 10.398) 15.951 9.440 ( -4.009 7.593 -13.558) 16.048 56.145 ( 0.457 -0.058 0.020) 0.462 56.154 ( 0.361 -0.330 -0.070) 0.494 ======================= Grid point 459 (215/372) ======================= q-point: ( 0.43 0.29 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 12.046 0.475 4.551) 12.886 2.405 ( 1.504 -0.929 11.944) 12.074 2.707 ( 1.662 -13.705 -13.551) 19.345 3.254 ( 11.880 1.479 3.879) 12.584 3.882 ( 9.045 -3.545 0.380) 9.722 4.321 ( 16.413 0.737 -6.470) 17.658 5.785 ( 0.625 17.786 3.528) 18.143 6.343 ( -2.048 -0.316 -3.885) 4.403 6.629 ( 2.604 -4.992 1.682) 5.876 6.888 ( 0.484 10.979 1.032) 11.038 7.198 ( 3.733 3.810 1.226) 5.473 7.239 ( -3.027 5.199 6.934) 9.180 7.496 ( 0.326 -4.023 -1.749) 4.399 8.066 ( 3.643 3.763 -3.704) 6.415 8.906 ( -13.601 -4.014 9.484) 17.060 9.206 ( -1.639 11.952 -11.086) 16.384 56.151 ( 0.407 -0.152 -0.029) 0.435 56.164 ( 0.241 -0.481 -0.021) 0.538 ======================= Grid point 460 (216/372) ======================= q-point: ( 0.50 0.29 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -3.369 5.820 17.875) 19.098 2.682 ( 18.802 -9.629 -0.319) 21.126 2.906 ( 0.976 -13.820 -11.464) 17.982 3.341 ( 7.803 1.823 3.146) 8.608 3.971 ( 4.885 0.867 -1.446) 5.167 4.403 ( 11.592 5.622 -3.556) 13.365 5.471 ( 0.229 22.683 6.833) 23.691 6.336 ( -1.718 -2.475 -3.559) 4.663 6.650 ( -1.439 4.495 -3.353) 5.789 6.803 ( 2.078 0.948 0.299) 2.304 7.051 ( -1.979 9.550 8.638) 13.028 7.255 ( 5.795 1.316 -1.275) 6.078 7.543 ( 0.344 -1.496 0.599) 1.648 8.046 ( 4.139 2.853 -0.705) 5.076 8.841 ( -11.769 -0.054 4.302) 12.531 8.970 ( -1.802 9.622 -7.204) 12.154 56.158 ( 0.367 -0.204 -0.042) 0.422 56.174 ( 0.074 -0.480 -0.018) 0.486 ======================= Grid point 461 (217/372) ======================= q-point: ( 0.57 0.29 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -2.858 3.124 17.020) 17.538 2.994 ( 15.328 -6.108 -3.702) 16.910 3.102 ( 3.113 -11.742 -8.503) 14.828 3.364 ( 1.828 2.577 0.975) 3.307 3.968 ( 2.593 3.728 1.673) 4.840 4.324 ( 6.928 14.552 -3.795) 16.557 5.123 ( 0.223 22.999 12.015) 25.949 6.334 ( -2.220 0.842 -3.426) 4.168 6.573 ( -1.369 -1.168 -5.341) 5.636 6.709 ( -5.231 5.829 -5.397) 9.512 7.026 ( 4.588 0.917 8.727) 9.902 7.278 ( 5.534 2.646 -0.887) 6.198 7.565 ( 0.551 0.470 6.593) 6.633 8.035 ( 2.707 3.333 0.781) 4.364 8.654 ( 1.059 14.230 -4.704) 15.025 8.866 ( -10.608 -5.081 -2.181) 11.963 56.164 ( 0.327 -0.177 -0.027) 0.373 56.180 ( -0.097 -0.356 -0.054) 0.373 ======================= Grid point 462 (218/372) ======================= q-point: (-0.36 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 0.016 -0.145 16.310) 16.310 3.139 ( 8.276 2.107 -7.871) 11.614 3.261 ( -0.859 -3.642 -2.693) 4.610 3.332 ( 3.064 -2.633 -4.146) 5.789 3.895 ( -5.506 7.015 5.170) 10.308 4.077 ( 8.171 20.943 -5.454) 23.132 4.842 ( 2.962 18.035 17.588) 25.365 6.217 ( -4.166 5.712 -9.721) 12.020 6.584 ( -2.659 1.612 -2.899) 4.251 6.622 ( -2.369 -7.468 -5.438) 9.537 7.072 ( 1.046 0.595 4.388) 4.550 7.279 ( 4.823 3.320 -1.034) 5.946 7.574 ( -0.308 3.471 13.209) 13.661 8.004 ( 1.388 2.510 0.635) 2.937 8.420 ( 5.535 15.925 -3.723) 17.266 8.865 ( -9.318 -8.525 -6.630) 14.263 56.169 ( 0.285 -0.075 0.007) 0.295 56.183 ( -0.224 -0.138 -0.113) 0.287 ======================= Grid point 463 (219/372) ======================= q-point: (-0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 1.553 3.304 12.982) 13.486 3.005 ( 2.244 14.582 -6.955) 16.311 3.287 ( -1.375 -2.822 -0.655) 3.207 3.462 ( 2.967 -4.686 -0.990) 5.634 3.641 ( -8.016 9.782 -1.116) 12.697 3.808 ( 1.942 18.570 -4.447) 19.193 4.749 ( 10.195 9.155 21.587) 25.569 6.039 ( -5.657 3.876 -16.983) 18.315 6.577 ( 0.374 -2.096 0.156) 2.134 6.689 ( -3.983 -6.032 -4.127) 8.324 7.051 ( -3.391 1.626 1.511) 4.053 7.267 ( 3.932 2.745 -1.875) 5.149 7.515 ( -1.953 6.595 12.186) 13.993 7.961 ( -0.707 5.593 -2.340) 6.104 8.292 ( 11.652 7.968 5.134) 15.021 8.891 ( -8.574 -9.117 -11.360) 16.903 56.172 ( 0.219 0.068 0.052) 0.235 56.180 ( -0.244 0.120 -0.169) 0.320 ======================= Grid point 464 (220/372) ======================= q-point: (-0.21 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -0.821 12.944 6.261) 14.402 2.738 ( 3.550 18.431 -5.513) 19.562 3.072 ( -6.011 24.248 -2.194) 25.078 3.377 ( -5.186 14.393 -1.598) 15.382 3.628 ( -7.335 -13.007 -0.842) 14.956 3.716 ( 9.823 -8.447 1.686) 13.065 4.871 ( 13.039 0.074 21.135) 24.834 5.873 ( -6.045 1.229 -21.454) 22.323 6.642 ( 1.994 -3.384 1.764) 4.306 6.705 ( -4.596 -2.652 -0.815) 5.368 6.960 ( -5.902 3.887 0.340) 7.075 7.263 ( 2.943 1.132 -3.586) 4.775 7.441 ( -0.632 3.937 7.408) 8.413 7.800 ( -0.537 9.671 -4.113) 10.523 8.413 ( 12.683 -1.347 12.689) 17.991 8.902 ( -9.457 -8.764 -15.257) 19.975 56.170 ( -0.194 0.325 -0.050) 0.382 56.175 ( 0.189 0.253 -0.048) 0.320 ======================= Grid point 465 (221/372) ======================= q-point: (-0.14 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -1.363 16.745 1.783) 16.895 2.392 ( -1.463 28.016 -16.205) 32.398 2.567 ( -4.398 21.939 4.987) 22.924 3.061 ( 1.620 18.115 -3.293) 18.483 3.848 ( -3.465 -16.009 4.161) 16.900 4.004 ( 7.749 -11.528 6.378) 15.284 5.126 ( 8.779 -9.829 13.413) 18.804 5.748 ( -3.585 -1.224 -19.187) 19.558 6.689 ( -2.201 -0.409 2.837) 3.614 6.732 ( 1.344 -3.687 1.908) 4.364 6.817 ( -6.119 5.529 -0.385) 8.256 7.252 ( 1.668 2.151 -5.149) 5.824 7.431 ( 1.490 0.310 4.347) 4.605 7.662 ( 0.128 4.377 -3.603) 5.670 8.634 ( 10.855 -4.902 14.827) 19.018 8.889 ( -10.170 -8.955 -17.649) 22.251 56.160 ( -0.215 0.534 -0.101) 0.584 56.173 ( 0.324 0.354 0.046) 0.482 ======================= Grid point 466 (222/372) ======================= q-point: (-0.07 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -0.241 22.215 -3.978) 22.570 1.786 ( -3.997 24.037 -9.864) 26.288 2.319 ( 5.291 14.650 3.221) 15.905 2.815 ( 7.438 16.340 -3.487) 18.288 4.054 ( 0.774 -6.802 8.513) 10.924 4.217 ( 4.268 -3.790 3.542) 6.717 5.380 ( -6.365 -15.892 -9.527) 19.591 5.812 ( 8.337 -10.699 1.320) 13.627 6.644 ( -5.302 6.553 -0.124) 8.430 6.693 ( -0.918 -0.561 2.661) 2.870 6.821 ( 1.706 -3.405 2.005) 4.304 7.188 ( 0.377 4.604 -2.948) 5.480 7.479 ( 2.808 -1.560 2.251) 3.923 7.643 ( 0.516 -2.670 -4.928) 5.629 8.874 ( 3.420 -8.783 7.220) 11.873 8.896 ( -4.583 -9.501 -9.827) 14.417 56.149 ( -0.069 0.601 -0.037) 0.606 56.170 ( 0.346 0.485 0.025) 0.597 ======================= Grid point 472 (223/372) ======================= q-point: ( 0.36 0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 8.200 0.000 -5.737) 10.008 2.336 ( 4.836 0.000 -14.179) 14.981 2.492 ( -5.149 -0.000 16.862) 17.630 3.274 ( 11.041 0.000 3.204) 11.496 3.813 ( 15.012 0.000 3.747) 15.472 4.329 ( 19.917 0.000 -7.327) 21.222 6.103 ( 2.076 0.000 -1.706) 2.687 6.433 ( -1.415 -0.000 6.031) 6.194 6.438 ( 1.935 0.000 -2.973) 3.547 7.186 ( 7.016 0.000 -0.337) 7.024 7.202 ( 1.036 0.000 0.030) 1.037 7.334 ( -2.768 -0.000 -5.476) 6.136 7.384 ( -4.884 -0.000 14.667) 15.459 8.130 ( 1.169 0.000 -8.101) 8.185 8.833 ( -12.335 -0.000 12.044) 17.240 9.416 ( -3.690 -0.000 -12.742) 13.265 56.149 ( 0.414 0.000 0.011) 0.414 56.155 ( 0.308 0.000 -0.060) 0.314 ======================= Grid point 473 (224/372) ======================= q-point: ( 0.43 0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 6.070 -1.925 -1.480) 6.537 2.412 ( 2.786 -3.431 6.325) 7.716 2.523 ( 1.749 -5.860 -0.684) 6.153 3.365 ( 5.983 0.086 0.408) 5.998 3.981 ( 13.173 -0.006 3.729) 13.691 4.487 ( 16.130 0.623 -6.337) 17.341 6.037 ( 1.588 9.631 -0.520) 9.775 6.350 ( -0.144 4.338 -0.659) 4.390 6.566 ( 2.361 -6.427 2.072) 7.154 7.073 ( -0.216 10.859 -0.459) 10.870 7.267 ( 6.010 -0.242 -1.521) 6.204 7.320 ( -4.431 4.357 9.318) 11.200 7.407 ( -0.163 -6.170 -0.035) 6.172 8.102 ( 0.436 0.290 -8.856) 8.872 8.754 ( -13.657 -1.255 12.446) 18.520 9.299 ( -1.550 5.875 -11.025) 12.588 56.153 ( 0.352 -0.045 -0.024) 0.355 56.160 ( 0.206 -0.296 -0.024) 0.361 ======================= Grid point 474 (225/372) ======================= q-point: ( 0.50 0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -7.864 3.039 14.107) 16.434 2.644 ( 4.574 -10.696 -6.604) 13.377 2.733 ( 15.300 -10.983 -0.167) 18.834 3.400 ( 1.115 -0.044 -1.570) 1.926 4.079 ( 8.187 2.991 3.474) 9.383 4.594 ( 12.372 2.892 -3.385) 13.148 5.831 ( 1.002 17.224 3.454) 17.596 6.294 ( -0.837 1.200 -2.821) 3.178 6.659 ( 0.215 -1.127 -1.337) 1.762 6.904 ( 0.501 8.501 0.054) 8.516 7.184 ( -4.976 7.572 8.687) 12.552 7.326 ( 4.825 0.244 -0.114) 4.832 7.512 ( 3.841 -4.011 -1.801) 5.838 8.093 ( 2.173 -0.939 -6.653) 7.062 8.666 ( -15.451 -1.762 10.685) 18.868 9.133 ( 1.239 9.993 -9.250) 13.673 56.158 ( 0.306 -0.160 -0.031) 0.347 56.167 ( 0.050 -0.397 -0.024) 0.401 ======================= Grid point 475 (226/372) ======================= q-point: ( 0.57 0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -7.155 1.813 14.655) 16.409 2.826 ( 0.017 -12.168 -7.565) 14.328 3.091 ( 18.159 -9.316 -0.994) 20.433 3.373 ( -3.728 0.875 -3.034) 4.886 4.079 ( 2.112 5.175 5.756) 8.023 4.597 ( 8.602 9.063 -3.307) 12.925 5.543 ( 1.682 21.437 9.995) 23.712 6.273 ( -2.328 -1.493 -4.219) 5.044 6.592 ( -1.939 4.497 -3.100) 5.797 6.759 ( -3.035 8.811 -5.431) 10.787 7.108 ( 0.190 1.971 9.305) 9.513 7.356 ( 2.920 0.914 0.202) 3.066 7.602 ( 5.661 -1.212 1.894) 6.092 8.115 ( 3.747 1.329 -2.798) 4.862 8.579 ( -15.486 -4.557 5.149) 16.944 8.943 ( 3.639 12.632 -7.819) 15.295 56.164 ( 0.263 -0.219 -0.005) 0.342 56.173 ( -0.110 -0.382 -0.065) 0.403 ======================= Grid point 476 (227/372) ======================= q-point: (-0.36 -0.64 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -4.111 -2.232 16.091) 16.757 2.987 ( -2.600 -11.708 -6.694) 13.735 3.260 ( -7.086 2.399 -3.401) 8.218 3.368 ( 15.003 -2.193 -6.711) 16.581 3.981 ( -6.186 7.697 8.122) 12.786 4.457 ( 7.136 15.824 -4.924) 18.043 5.268 ( 5.122 20.740 17.835) 27.830 6.213 ( -6.001 3.347 -8.928) 11.266 6.521 ( -0.967 0.068 -2.968) 3.123 6.586 ( -2.497 3.818 -5.693) 7.295 7.110 ( -1.226 1.618 5.928) 6.266 7.360 ( 2.357 1.996 -0.227) 3.097 7.680 ( 5.380 1.332 8.671) 10.291 8.082 ( 1.140 5.089 1.453) 5.414 8.547 ( -10.240 -6.832 -3.391) 12.768 8.758 ( 5.237 11.935 -6.327) 14.489 56.170 ( 0.193 -0.192 0.048) 0.276 56.177 ( -0.202 -0.275 -0.136) 0.367 ======================= Grid point 477 (228/372) ======================= q-point: (-0.29 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -0.404 -3.625 16.581) 16.977 3.095 ( -4.741 -0.866 -7.596) 8.996 3.107 ( -10.181 -5.093 -1.587) 11.494 3.474 ( 10.544 1.696 -8.714) 13.784 3.746 ( -11.107 12.822 5.703) 17.897 4.205 ( 5.336 20.785 -3.684) 21.773 5.126 ( 10.644 14.446 22.514) 28.790 5.997 ( -8.063 6.727 -16.626) 19.665 6.535 ( -0.577 -2.771 -1.375) 3.147 6.568 ( -0.357 -3.733 -2.857) 4.715 7.062 ( -3.666 2.742 3.507) 5.767 7.332 ( 0.587 2.897 -1.583) 3.353 7.683 ( 2.382 7.952 12.114) 14.686 8.019 ( -0.748 3.270 0.836) 3.457 8.529 ( 0.905 1.683 -2.456) 3.112 8.665 ( 1.234 0.460 -8.027) 8.134 56.173 ( -0.070 -0.086 0.043) 0.119 56.178 ( -0.021 -0.112 -0.139) 0.180 ======================= Grid point 478 (229/372) ======================= q-point: (-0.21 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -1.771 6.716 10.452) 12.549 2.937 ( -4.905 6.119 -3.093) 8.430 3.203 ( -5.566 -12.230 -0.139) 13.438 3.373 ( -12.440 18.834 -1.045) 22.595 3.500 ( 1.216 0.641 -4.388) 4.598 3.931 ( 8.949 16.444 -1.305) 18.767 5.134 ( 10.708 8.154 20.279) 24.338 5.774 ( -6.333 3.179 -19.330) 20.588 6.595 ( 0.506 -4.336 0.746) 4.429 6.625 ( 0.223 -3.735 -1.303) 3.962 6.974 ( -4.807 3.958 2.445) 6.689 7.277 ( -1.728 1.686 -2.979) 3.834 7.588 ( 1.802 9.212 9.933) 13.666 7.924 ( -1.725 7.053 -1.797) 7.480 8.552 ( 2.668 -2.337 0.040) 3.547 8.671 ( 2.026 -1.782 -6.322) 6.874 56.171 ( -0.274 0.115 -0.134) 0.326 56.180 ( 0.204 0.019 0.053) 0.211 ======================= Grid point 479 (230/372) ======================= q-point: (-0.14 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -3.932 13.873 5.285) 15.358 2.755 ( 2.187 14.265 -6.244) 15.724 2.834 ( -13.148 25.653 -4.821) 29.227 3.301 ( -2.662 6.897 2.666) 7.859 3.523 ( -2.586 -14.682 1.739) 15.009 3.958 ( 10.858 -5.042 1.532) 12.069 5.155 ( 0.583 2.549 3.795) 4.609 5.680 ( 2.489 -0.633 -7.718) 8.134 6.656 ( -0.340 -2.435 0.935) 2.630 6.704 ( 2.977 -3.853 1.407) 5.069 6.850 ( -5.382 5.611 2.284) 8.104 7.235 ( -2.523 -0.654 -4.200) 4.943 7.514 ( 2.836 5.455 6.002) 8.592 7.770 ( -1.008 8.375 -1.423) 8.555 8.588 ( -6.994 -7.075 -14.592) 17.661 8.760 ( 9.734 -0.984 10.031) 14.012 56.164 ( -0.210 0.305 -0.174) 0.409 56.181 ( 0.255 0.155 0.128) 0.325 ======================= Grid point 480 (231/372) ======================= q-point: (-0.07 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -0.189 14.345 3.367) 14.736 2.189 ( -5.314 31.790 -11.606) 34.257 2.584 ( 1.978 11.535 1.408) 11.788 3.120 ( 4.121 13.596 1.144) 14.253 3.808 ( -2.440 -19.372 3.331) 19.808 4.191 ( 6.431 -8.358 2.567) 10.854 5.098 ( -8.507 -4.382 -14.021) 16.975 5.796 ( 9.822 -5.051 7.131) 13.147 6.670 ( -2.831 1.963 -2.069) 4.019 6.725 ( -0.880 3.310 5.136) 6.173 6.797 ( 2.576 -2.825 2.430) 4.530 7.205 ( -2.550 0.116 -4.046) 4.784 7.510 ( 3.610 0.968 2.345) 4.412 7.652 ( 0.059 4.265 -0.711) 4.325 8.581 ( -7.306 -8.391 -16.562) 19.952 8.931 ( 7.801 -3.437 13.319) 15.814 56.156 ( -0.071 0.419 -0.141) 0.448 56.180 ( 0.292 0.315 0.131) 0.449 ======================= Grid point 487 (232/372) ======================= q-point: ( 0.43 0.43 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -6.082 -0.000 11.938) 13.398 2.438 ( 11.180 0.000 -5.153) 12.310 2.531 ( 6.762 0.000 3.492) 7.610 3.391 ( 0.611 0.000 -3.521) 3.574 4.135 ( 11.795 0.000 5.239) 12.906 4.618 ( 12.821 0.000 -6.197) 14.240 6.109 ( -0.105 -0.000 -3.720) 3.722 6.431 ( -0.283 -0.000 -5.395) 5.403 6.527 ( 4.730 0.000 10.351) 11.381 7.208 ( -0.223 -0.000 -0.334) 0.402 7.230 ( -3.460 -0.000 -4.981) 6.065 7.358 ( -6.716 -0.000 13.183) 14.796 7.378 ( 12.079 0.000 -1.879) 12.224 8.044 ( -3.401 -0.000 -12.199) 12.665 8.662 ( -11.784 -0.000 14.132) 18.401 9.303 ( 0.321 0.000 -10.172) 10.177 56.156 ( 0.263 0.000 -0.018) 0.263 56.159 ( 0.138 0.000 -0.027) 0.140 ======================= Grid point 488 (233/372) ======================= q-point: ( 0.50 0.43 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -9.071 1.999 11.964) 15.146 2.565 ( 7.349 -2.647 -2.329) 8.151 2.728 ( 14.289 -9.937 3.724) 17.798 3.365 ( -3.700 -0.763 -5.898) 7.005 4.223 ( 5.791 2.862 5.365) 8.397 4.714 ( 9.142 0.148 -4.445) 10.166 6.035 ( -0.854 6.980 -1.707) 7.236 6.343 ( -0.749 5.266 -3.014) 6.113 6.648 ( 3.524 -2.075 5.637) 6.964 7.049 ( -0.979 9.062 -1.325) 9.210 7.248 ( -4.928 3.080 4.529) 7.368 7.321 ( -3.772 -2.091 4.552) 6.270 7.529 ( 12.693 -2.469 -3.722) 13.456 7.997 ( -4.146 -4.863 -11.641) 13.279 8.581 ( -10.570 2.017 14.255) 17.860 9.246 ( 3.042 5.041 -9.119) 10.855 56.158 ( 0.193 -0.076 -0.019) 0.208 56.162 ( 0.014 -0.235 -0.027) 0.237 ======================= Grid point 489 (234/372) ======================= q-point: (-0.43 -0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -9.804 1.366 11.623) 15.267 2.677 ( 3.833 -5.217 -2.442) 6.919 3.090 ( 15.281 -11.975 2.434) 19.566 3.304 ( -6.465 -1.014 -6.462) 9.197 4.195 ( -1.707 5.396 6.395) 8.540 4.750 ( 4.574 2.987 -4.836) 7.296 5.874 ( 1.094 12.865 5.729) 14.126 6.249 ( -2.172 2.911 -3.515) 5.054 6.642 ( -0.538 5.079 -0.414) 5.125 6.893 ( -0.885 10.536 -2.965) 10.981 7.149 ( -4.033 2.209 8.231) 9.428 7.350 ( -1.704 -2.733 1.827) 3.703 7.665 ( 10.310 -1.054 -3.438) 10.919 8.054 ( -0.481 -8.774 -10.325) 13.558 8.467 ( -10.358 4.437 13.787) 17.806 9.146 ( 5.635 9.211 -8.043) 13.464 56.163 ( 0.140 -0.207 0.010) 0.250 56.166 ( -0.130 -0.312 -0.064) 0.344 ======================= Grid point 490 (235/372) ======================= q-point: (-0.36 -0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -8.511 -2.913 13.309) 16.064 2.793 ( 0.266 -7.129 -2.516) 7.565 3.175 ( -10.766 0.297 -5.261) 11.986 3.436 ( 15.007 -6.909 -3.736) 16.939 4.055 ( -9.479 7.437 8.097) 14.517 4.672 ( 0.893 7.483 -6.883) 10.206 5.696 ( 5.558 16.767 15.383) 23.423 6.169 ( -4.674 2.029 -6.132) 7.973 6.541 ( -1.151 4.139 -1.929) 4.709 6.665 ( -1.707 11.144 -6.140) 12.838 7.126 ( -3.677 0.722 6.189) 7.235 7.379 ( -0.995 -1.100 2.025) 2.510 7.766 ( 7.102 -1.342 0.978) 7.294 8.158 ( 3.569 -3.053 -8.247) 9.491 8.333 ( -10.965 1.240 9.084) 14.293 9.018 ( 8.102 11.867 -6.070) 15.598 56.167 ( -0.101 -0.255 0.026) 0.275 56.170 ( -0.049 -0.328 -0.092) 0.344 ======================= Grid point 491 (236/372) ======================= q-point: (-0.29 -0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -4.821 -8.691 16.608) 19.355 2.883 ( -4.847 -6.943 -2.171) 8.741 3.014 ( -12.414 1.720 -5.228) 13.579 3.599 ( 11.446 1.445 -9.676) 15.057 3.825 ( -13.350 9.046 8.088) 18.041 4.488 ( -0.986 12.091 -6.247) 13.645 5.563 ( 10.195 16.317 21.235) 28.655 5.991 ( -7.682 8.241 -12.668) 16.952 6.496 ( -0.221 -0.353 -1.187) 1.258 6.537 ( 0.661 1.368 -3.891) 4.177 7.075 ( -4.495 2.119 4.020) 6.392 7.357 ( -3.023 1.794 -0.187) 3.520 7.849 ( 5.082 1.389 5.657) 7.731 8.090 ( -2.979 7.950 6.208) 10.518 8.334 ( -4.131 -8.151 -10.584) 13.983 8.905 ( 10.842 11.567 -1.783) 15.954 56.169 ( -0.302 -0.215 -0.086) 0.380 56.175 ( 0.068 -0.283 0.019) 0.292 ======================= Grid point 492 (237/372) ======================= q-point: (-0.21 -0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -3.424 -3.552 14.279) 15.107 2.838 ( -13.520 -3.622 0.985) 14.032 2.949 ( -6.188 -7.077 -3.099) 9.898 3.531 ( -11.784 11.521 4.108) 16.984 3.590 ( 6.080 7.847 -11.468) 15.168 4.243 ( 0.803 14.149 -3.444) 14.584 5.474 ( 6.250 15.533 13.318) 21.394 5.749 ( -2.523 5.859 -9.224) 11.215 6.533 ( 0.457 -3.768 0.174) 3.799 6.572 ( 2.267 -3.647 -1.645) 4.598 6.998 ( -4.231 3.220 3.289) 6.253 7.269 ( -5.302 2.616 -2.289) 6.340 7.819 ( 3.597 10.738 9.800) 14.976 7.969 ( -5.156 3.117 1.484) 6.205 8.375 ( -3.179 -6.266 -14.918) 16.491 8.869 ( 12.461 7.865 4.543) 15.420 56.168 ( -0.297 -0.092 -0.160) 0.349 56.180 ( 0.078 -0.207 0.108) 0.246 ======================= Grid point 493 (238/372) ======================= q-point: (-0.14 -0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -8.622 8.284 5.334) 13.093 2.787 ( -9.133 -0.027 1.615) 9.275 3.094 ( -5.759 -8.664 4.920) 11.509 3.154 ( -4.718 13.890 -8.534) 16.972 3.499 ( 0.227 4.784 -1.622) 5.057 4.088 ( 6.030 6.717 -0.692) 9.053 5.231 ( -6.013 11.958 -9.668) 16.511 5.744 ( 8.566 1.441 8.474) 12.135 6.610 ( 0.664 -4.000 1.294) 4.256 6.670 ( 3.745 -4.598 -0.367) 5.941 6.900 ( -4.052 4.978 3.485) 7.304 7.178 ( -4.993 0.131 -3.556) 6.131 7.692 ( 1.524 10.228 7.763) 12.931 7.862 ( -3.158 5.241 0.113) 6.120 8.376 ( -4.140 -4.943 -16.357) 17.582 8.923 ( 11.119 3.653 9.167) 14.866 56.165 ( -0.215 0.068 -0.202) 0.303 56.184 ( 0.109 -0.102 0.180) 0.233 ======================= Grid point 494 (239/372) ======================= q-point: (-0.07 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -5.001 8.483 4.258) 10.729 2.550 ( -9.770 21.256 -5.243) 23.974 2.761 ( 2.611 11.034 -6.801) 13.222 3.288 ( -0.689 -0.004 3.144) 3.218 3.511 ( -1.068 -11.530 4.208) 12.320 4.145 ( 5.786 -4.435 0.409) 7.301 4.968 ( -8.454 5.079 -14.958) 17.916 5.875 ( 9.822 -1.570 10.431) 14.413 6.662 ( -0.506 -0.358 -1.081) 1.246 6.745 ( -1.641 -0.281 2.788) 3.247 6.828 ( 3.132 0.767 3.981) 5.123 7.142 ( -3.056 -1.821 -4.244) 5.538 7.593 ( 0.363 4.940 3.536) 6.086 7.748 ( -0.157 6.425 1.786) 6.670 8.357 ( -4.768 -5.188 -15.315) 16.858 9.023 ( 8.001 0.429 10.505) 13.211 56.160 ( -0.083 0.204 -0.199) 0.296 56.186 ( 0.155 0.048 0.204) 0.261 ======================= Grid point 502 (240/372) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -10.765 -0.000 10.417) 14.980 2.703 ( 15.205 0.000 0.462) 15.212 2.741 ( 8.993 0.000 6.608) 11.160 3.273 ( -7.637 -0.000 -9.128) 11.902 4.294 ( -0.917 -0.000 5.630) 5.704 4.770 ( 4.583 0.000 -4.532) 6.445 6.062 ( -1.761 -0.000 -2.042) 2.697 6.351 ( -2.902 -0.000 -7.946) 8.459 6.722 ( 5.750 0.000 13.362) 14.547 7.133 ( -3.222 -0.000 -3.157) 4.511 7.192 ( -1.084 -0.000 -0.433) 1.167 7.286 ( -7.228 -0.000 10.010) 12.347 7.639 ( 13.552 0.000 -6.394) 14.984 7.844 ( -6.215 -0.000 -11.122) 12.741 8.565 ( -6.522 -0.000 14.114) 15.548 9.302 ( 5.616 0.000 -8.952) 10.568 56.159 ( 0.056 0.000 -0.011) 0.057 56.160 ( -0.038 -0.000 -0.032) 0.050 ======================= Grid point 503 (241/372) ======================= q-point: (-0.43 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -11.840 1.309 8.684) 14.742 2.739 ( 8.677 4.492 3.563) 10.400 3.037 ( 9.507 -11.019 2.830) 14.826 3.172 ( -6.372 -3.430 -8.795) 11.390 4.237 ( -8.377 3.194 5.886) 10.725 4.769 ( -1.770 0.262 -5.900) 6.166 6.018 ( 0.298 3.598 2.466) 4.372 6.264 ( -3.248 3.109 -6.537) 7.934 6.766 ( 2.455 6.370 8.693) 11.053 7.026 ( -0.592 6.173 -1.394) 6.357 7.170 ( -5.500 4.563 4.690) 8.548 7.262 ( -3.525 -4.746 3.297) 6.769 7.693 ( -0.690 -3.439 -10.621) 11.186 7.891 ( 8.092 -5.934 -6.228) 11.810 8.522 ( -4.498 4.118 13.916) 15.194 9.304 ( 8.050 4.830 -8.683) 12.788 56.160 ( -0.136 -0.133 -0.022) 0.191 56.160 ( -0.040 -0.170 -0.024) 0.176 ======================= Grid point 504 (242/372) ======================= q-point: (-0.36 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -12.274 -1.578 9.572) 15.645 2.775 ( 5.119 1.436 3.441) 6.333 3.010 ( -14.114 -2.211 -8.175) 16.460 3.426 ( 13.482 -10.943 -1.203) 17.406 4.065 ( -14.657 5.609 6.581) 17.017 4.682 ( -7.484 1.461 -8.270) 11.249 5.983 ( 4.596 6.483 10.043) 12.807 6.153 ( -3.939 3.509 -5.272) 7.458 6.648 ( 0.335 9.651 2.799) 10.054 6.845 ( -0.681 13.476 -4.810) 14.325 7.100 ( -5.330 -0.203 5.688) 7.798 7.320 ( -3.190 -4.064 3.271) 6.115 7.732 ( -2.336 -6.572 -5.065) 8.620 8.059 ( 9.034 -5.685 -9.574) 14.338 8.429 ( -2.866 8.143 13.993) 16.442 9.258 ( 10.111 8.666 -7.368) 15.219 56.161 ( -0.287 -0.217 -0.066) 0.366 56.164 ( -0.050 -0.314 0.015) 0.319 ======================= Grid point 505 (243/372) ======================= q-point: (-0.29 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -9.782 -9.403 14.299) 19.712 2.797 ( -3.057 0.818 1.739) 3.610 2.863 ( -12.403 -1.568 -5.770) 13.769 3.663 ( 10.275 -3.947 -8.743) 14.057 3.816 ( -17.598 6.369 7.428) 20.135 4.530 ( -9.640 2.856 -7.877) 12.772 5.951 ( 7.544 10.137 15.275) 19.824 6.018 ( -4.434 6.876 -6.660) 10.550 6.528 ( 0.589 5.490 0.491) 5.544 6.622 ( 0.889 9.668 -4.070) 10.527 7.061 ( -5.057 0.608 3.929) 6.432 7.321 ( -5.864 -0.622 0.726) 5.941 7.816 ( -2.327 -7.015 -0.451) 7.405 8.172 ( 4.347 -2.695 -11.014) 12.144 8.301 ( 0.341 9.942 11.568) 15.257 9.194 ( 11.974 10.321 -3.812) 16.261 56.161 ( -0.345 -0.257 -0.101) 0.441 56.169 ( -0.084 -0.387 0.053) 0.400 ======================= Grid point 506 (244/372) ======================= q-point: (-0.21 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -5.203 -14.161 17.945) 23.444 2.637 ( -17.561 -0.314 -2.869) 17.797 2.831 ( -3.498 -1.060 0.801) 3.742 3.551 ( -15.075 6.589 4.722) 17.117 3.714 ( 5.281 3.801 -13.294) 14.801 4.347 ( -8.381 4.971 -5.837) 11.359 5.753 ( -5.553 15.073 -11.311) 19.646 5.928 ( 10.056 10.179 17.839) 22.869 6.493 ( 0.560 -0.610 -0.928) 1.243 6.563 ( 3.209 0.128 -0.070) 3.212 7.006 ( -4.075 1.605 3.342) 5.509 7.233 ( -7.752 2.006 -1.947) 8.241 7.880 ( -4.312 -4.233 0.279) 6.049 8.092 ( -0.934 11.155 8.123) 13.831 8.262 ( 3.541 -0.267 -11.362) 11.904 9.156 ( 13.040 9.450 1.679) 16.191 56.161 ( -0.317 -0.235 -0.142) 0.419 56.175 ( -0.107 -0.395 0.110) 0.423 ======================= Grid point 507 (245/372) ======================= q-point: (-0.14 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -12.936 3.383 3.124) 13.731 2.633 ( -8.861 -9.984 9.186) 16.204 2.857 ( -2.547 -9.774 5.808) 11.651 3.293 ( -10.891 10.184 -3.815) 15.391 3.602 ( 1.636 7.817 -10.223) 12.973 4.189 ( -3.943 3.661 -3.508) 6.423 5.377 ( -5.911 17.813 -12.619) 22.616 5.947 ( 9.952 6.617 14.784) 19.011 6.546 ( 0.549 -4.610 0.258) 4.649 6.642 ( 4.509 -3.728 1.370) 6.009 6.943 ( -3.222 3.350 3.292) 5.696 7.115 ( -6.628 0.932 -3.507) 7.556 7.836 ( -7.845 3.395 1.324) 8.650 7.945 ( 2.602 9.108 7.226) 11.914 8.247 ( -0.246 -1.140 -15.205) 15.250 9.162 ( 12.062 7.516 6.192) 15.502 56.161 ( -0.227 -0.142 -0.188) 0.327 56.181 ( -0.093 -0.360 0.182) 0.414 ======================= Grid point 508 (246/372) ======================= q-point: (-0.07 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -9.946 2.765 2.646) 10.657 2.613 ( -7.893 2.257 2.565) 8.601 2.966 ( -3.391 14.618 -13.383) 20.107 3.123 ( -0.305 -15.364 8.565) 17.593 3.487 ( -0.892 3.587 0.139) 3.699 4.140 ( -0.380 -1.115 -2.192) 2.488 5.005 ( -6.354 14.061 -11.896) 19.484 6.012 ( 8.955 2.467 10.539) 14.048 6.627 ( 0.134 -3.698 0.475) 3.731 6.737 ( 0.954 -0.735 1.533) 1.949 6.872 ( -0.070 0.970 3.653) 3.780 7.072 ( -1.715 -1.885 -3.592) 4.404 7.675 ( -5.676 6.252 2.139) 8.711 7.867 ( 1.702 6.622 4.704) 8.299 8.207 ( -3.152 -2.413 -14.492) 15.026 9.189 ( 9.199 5.502 7.622) 13.153 56.160 ( -0.102 -0.019 -0.212) 0.236 56.186 ( -0.044 -0.265 0.228) 0.353 ======================= Grid point 517 (247/372) ======================= q-point: (-0.43 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -13.510 -0.000 6.055) 14.805 2.924 ( -9.660 -0.000 -7.990) 12.537 2.961 ( 7.049 0.000 9.352) 11.711 3.083 ( 11.049 0.000 -3.443) 11.573 4.161 ( -14.939 -0.000 5.572) 15.944 4.690 ( -9.931 -0.000 -7.235) 12.287 6.061 ( 1.861 0.000 4.360) 4.741 6.232 ( -3.068 -0.000 -7.819) 8.399 6.887 ( 0.375 0.000 12.729) 12.734 7.050 ( -3.564 -0.000 -2.362) 4.276 7.164 ( -1.481 -0.000 1.151) 1.875 7.232 ( -2.337 -0.000 8.167) 8.495 7.534 ( -7.639 -0.000 -13.236) 15.282 7.968 ( 14.038 0.000 -6.666) 15.541 8.570 ( -1.947 -0.000 13.690) 13.828 9.408 ( 10.227 0.000 -9.476) 13.942 56.157 ( -0.170 -0.000 -0.060) 0.180 56.158 ( -0.200 -0.000 0.014) 0.200 ======================= Grid point 518 (248/372) ======================= q-point: (-0.36 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -15.023 0.021 5.730) 16.079 2.762 ( -17.596 -3.318 -10.979) 21.004 2.949 ( 7.056 8.174 7.004) 12.871 3.367 ( 12.888 -11.590 -0.668) 17.345 3.977 ( -19.540 2.787 5.769) 20.563 4.528 ( -16.892 -1.030 -8.797) 19.073 6.104 ( 4.268 0.930 7.422) 8.612 6.155 ( -2.820 2.880 -5.855) 7.108 6.828 ( -1.474 8.632 6.016) 10.624 6.988 ( -2.494 3.173 -1.435) 4.284 7.102 ( -2.719 6.906 1.513) 7.574 7.237 ( -1.917 -2.388 6.361) 7.060 7.531 ( -4.611 -9.249 -6.020) 11.961 8.087 ( 10.604 -1.541 -9.101) 14.059 8.569 ( 0.479 4.589 13.448) 14.218 9.452 ( 11.781 4.490 -9.396) 15.724 56.155 ( -0.318 -0.067 -0.051) 0.329 56.158 ( -0.216 -0.254 0.004) 0.334 ======================= Grid point 519 (249/372) ======================= q-point: (-0.29 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -14.039 -6.812 10.868) 19.016 2.599 ( -19.779 -3.940 -9.891) 22.463 2.913 ( 4.391 6.488 6.859) 10.412 3.631 ( 8.383 -7.738 -7.500) 13.653 3.725 ( -20.931 4.141 5.808) 22.113 4.348 ( -19.002 -3.368 -7.594) 20.738 6.043 ( -3.001 5.004 -4.909) 7.625 6.159 ( 5.309 2.133 8.551) 10.289 6.684 ( 0.986 9.292 3.858) 10.110 6.820 ( 0.731 12.983 -2.992) 13.343 7.029 ( -4.013 0.375 3.859) 5.580 7.245 ( -5.149 -0.757 2.584) 5.811 7.639 ( -3.269 -9.350 -0.930) 9.949 8.159 ( 4.838 -1.026 -10.002) 11.158 8.521 ( 3.407 8.627 11.478) 14.758 9.451 ( 12.819 7.425 -7.139) 16.444 56.153 ( -0.384 -0.194 -0.068) 0.436 56.161 ( -0.250 -0.402 0.025) 0.474 ======================= Grid point 520 (250/372) ======================= q-point: (-0.21 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -8.669 -17.111 18.384) 26.569 2.410 ( -20.980 -2.098 -7.687) 22.443 2.858 ( -0.891 5.229 5.510) 7.648 3.481 ( -17.056 3.561 5.595) 18.300 3.724 ( 2.463 -1.701 -15.136) 15.429 4.203 ( -17.097 -3.773 -5.362) 18.311 5.878 ( -2.705 10.087 -7.514) 12.866 6.194 ( 5.734 3.876 9.370) 11.649 6.578 ( 2.232 8.863 4.044) 9.994 6.651 ( 3.425 6.572 -0.004) 7.411 6.995 ( -3.312 0.619 3.264) 4.691 7.175 ( -7.085 1.880 -0.362) 7.339 7.736 ( -4.337 -6.948 -0.383) 8.199 8.150 ( -0.690 1.083 -7.343) 7.455 8.433 ( 5.299 11.086 5.764) 13.572 9.439 ( 13.269 8.314 -2.548) 15.864 56.153 ( -0.353 -0.286 -0.090) 0.464 56.166 ( -0.289 -0.492 0.063) 0.574 ======================= Grid point 521 (251/372) ======================= q-point: (-0.14 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -17.550 -0.955 -2.198) 17.713 2.346 ( -6.306 -19.966 18.306) 27.812 2.781 ( -4.360 0.794 3.970) 5.950 3.286 ( -10.865 5.290 0.965) 12.123 3.661 ( -1.199 3.239 -15.882) 16.254 4.085 ( -13.684 -3.797 -3.819) 14.706 5.591 ( -2.760 17.867 -10.349) 20.831 6.211 ( 7.064 6.628 11.484) 15.024 6.505 ( 0.894 0.829 -0.368) 1.273 6.667 ( 5.269 -0.197 4.860) 7.171 6.966 ( -1.728 1.442 3.478) 4.143 7.054 ( -7.066 2.142 -3.149) 8.027 7.759 ( -6.293 -2.431 -0.868) 6.802 8.075 ( -2.768 3.167 -2.697) 4.997 8.308 ( 4.053 10.765 -2.081) 11.689 9.436 ( 12.459 8.328 2.106) 15.134 56.154 ( -0.249 -0.292 -0.133) 0.406 56.172 ( -0.302 -0.545 0.130) 0.637 ======================= Grid point 522 (252/372) ======================= q-point: (-0.07 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -13.915 -2.217 0.018) 14.091 2.545 ( -5.846 -4.075 6.920) 9.934 2.901 ( -0.160 -15.538 10.323) 18.656 3.054 ( -6.718 9.786 -11.029) 16.203 3.535 ( -2.457 3.969 -5.180) 6.973 4.042 ( -8.427 -5.637 -1.765) 10.291 5.201 ( -3.879 20.338 -10.112) 23.042 6.204 ( 7.086 6.463 8.293) 12.678 6.555 ( 0.188 -4.848 -0.086) 4.852 6.758 ( 3.902 -0.854 5.517) 6.812 6.888 ( -3.391 2.867 0.140) 4.443 7.021 ( 0.400 -2.667 -1.486) 3.079 7.679 ( -7.647 2.585 -0.180) 8.075 7.999 ( -1.073 3.289 1.404) 3.734 8.158 ( -0.300 7.440 -8.418) 11.239 9.427 ( 10.049 8.466 4.191) 13.792 56.156 ( -0.119 -0.213 -0.185) 0.306 56.178 ( -0.263 -0.547 0.200) 0.639 ======================= Grid point 532 (253/372) ======================= q-point: (-0.36 -0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -16.982 -0.000 3.404) 17.320 2.490 ( -21.116 -0.000 -12.146) 24.360 3.135 ( 3.628 0.000 8.804) 9.522 3.379 ( 14.781 0.000 -3.986) 15.309 3.801 ( -22.713 -0.000 6.735) 23.690 4.268 ( -24.683 -0.000 -9.186) 26.337 6.139 ( -1.842 -0.000 -4.976) 5.306 6.182 ( 4.793 0.000 7.670) 9.045 6.887 ( -4.926 -0.000 7.276) 8.787 6.945 ( -4.148 -0.000 -4.687) 6.259 7.152 ( -0.825 -0.000 2.366) 2.505 7.324 ( 3.497 0.000 12.577) 13.054 7.340 ( -3.896 -0.000 -8.454) 9.309 8.136 ( 6.730 0.000 -9.542) 11.677 8.668 ( 3.169 0.000 12.168) 12.574 9.581 ( 12.658 0.000 -11.145) 16.865 56.151 ( -0.467 -0.000 0.048) 0.470 56.153 ( -0.234 -0.000 -0.097) 0.254 ======================= Grid point 533 (254/372) ======================= q-point: (-0.29 -0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -17.232 -3.358 6.962) 18.886 2.267 ( -22.894 -4.779 -11.233) 25.946 3.103 ( 1.666 7.955 6.271) 10.266 3.540 ( -7.886 -4.264 -7.941) 11.976 3.595 ( -6.468 -0.114 6.672) 9.294 4.011 ( -26.191 -5.339 -6.482) 27.504 6.079 ( -1.351 3.521 -3.283) 5.000 6.248 ( 4.114 0.617 6.116) 7.396 6.805 ( -2.334 4.761 1.866) 5.621 6.921 ( -2.649 -0.241 -0.647) 2.737 7.063 ( -1.683 7.579 0.249) 7.768 7.272 ( 1.248 3.100 5.414) 6.362 7.472 ( -0.750 -7.377 3.847) 8.354 8.156 ( 2.380 -0.275 -9.068) 9.379 8.709 ( 4.837 4.619 9.927) 11.970 9.644 ( 12.848 3.553 -11.048) 17.313 56.146 ( -0.506 -0.081 0.015) 0.513 56.152 ( -0.301 -0.283 -0.062) 0.418 ======================= Grid point 534 (255/372) ======================= q-point: (-0.21 -0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -12.159 -15.076 17.090) 25.830 2.085 ( -23.572 -5.817 -9.957) 26.242 2.950 ( -9.308 7.782 2.107) 12.314 3.390 ( -11.452 0.961 10.243) 15.395 3.611 ( -6.383 -3.968 -15.932) 17.616 3.891 ( -17.206 -7.509 -3.674) 19.129 5.979 ( -0.395 6.439 -3.349) 7.269 6.284 ( 3.051 1.102 3.211) 4.564 6.726 ( -0.576 4.662 3.187) 5.676 6.830 ( 2.246 9.714 -0.160) 9.972 6.974 ( -3.485 0.288 1.003) 3.638 7.224 ( 1.267 7.326 6.656) 9.979 7.580 ( -2.907 -7.089 1.139) 7.746 8.130 ( -1.160 0.809 -7.862) 7.988 8.676 ( 4.856 9.060 6.891) 12.375 9.669 ( 12.698 5.323 -8.058) 15.953 56.144 ( -0.467 -0.270 0.009) 0.540 56.155 ( -0.358 -0.433 -0.041) 0.563 ======================= Grid point 535 (256/372) ======================= q-point: (-0.14 -0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -21.906 -5.347 -7.340) 23.713 1.999 ( -4.960 -23.536 23.359) 33.529 2.726 ( -15.308 2.061 -1.249) 15.497 3.320 ( -1.548 5.800 8.993) 10.812 3.552 ( -9.189 -6.092 -15.529) 19.045 3.802 ( -17.366 -5.416 -5.910) 19.127 5.813 ( 0.674 13.279 -6.276) 14.703 6.313 ( 2.460 -0.489 2.628) 3.633 6.610 ( -1.692 8.094 2.816) 8.735 6.768 ( 5.532 3.426 3.785) 7.528 6.955 ( -2.016 -1.169 0.255) 2.344 7.105 ( -0.003 9.998 5.024) 11.189 7.640 ( -4.567 -4.556 -1.017) 6.531 8.056 ( -3.646 1.948 -6.960) 8.095 8.557 ( 3.514 12.725 3.740) 13.721 9.683 ( 11.960 6.305 -3.522) 13.971 56.146 ( -0.328 -0.397 -0.015) 0.515 56.159 ( -0.414 -0.560 0.009) 0.697 ======================= Grid point 536 (257/372) ======================= q-point: (-0.07 -0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -16.401 -7.018 -2.344) 17.993 2.378 ( -4.751 -14.002 13.831) 20.246 2.650 ( -8.438 -13.077 1.531) 15.638 3.157 ( -1.851 12.537 -9.343) 15.745 3.511 ( -4.011 -0.882 -2.645) 4.884 3.753 ( -16.760 -12.929 -0.289) 21.169 5.501 ( -0.459 21.775 -8.236) 23.285 6.358 ( 2.616 0.899 4.079) 4.928 6.514 ( -0.203 1.719 0.234) 1.746 6.819 ( 5.166 -0.638 5.148) 7.321 6.937 ( -1.943 6.961 -0.382) 7.237 6.992 ( 1.794 -0.423 2.868) 3.409 7.618 ( -6.908 -0.248 -1.497) 7.073 7.967 ( -4.071 0.671 -6.938) 8.072 8.366 ( 1.458 14.600 1.680) 14.768 9.674 ( 9.794 7.983 -0.613) 12.651 56.150 ( -0.143 -0.376 -0.097) 0.414 56.165 ( -0.432 -0.691 0.111) 0.822 ======================= Grid point 547 (258/372) ======================= q-point: (-0.29 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -18.765 -0.000 5.857) 19.658 1.939 ( -25.116 -0.000 -9.680) 26.917 3.171 ( -7.930 -0.000 2.528) 8.323 3.301 ( -23.246 -0.000 -2.519) 23.382 3.646 ( 8.409 0.000 0.440) 8.421 3.655 ( -25.813 -0.000 -3.398) 26.036 6.093 ( -0.352 -0.000 -2.114) 2.143 6.307 ( 2.741 0.000 4.553) 5.314 6.844 ( -2.958 -0.000 6.742) 7.363 6.854 ( -0.905 -0.000 -5.136) 5.215 7.167 ( 0.299 0.000 4.276) 4.286 7.250 ( -1.152 -0.000 -4.806) 4.942 7.488 ( 3.637 0.000 13.231) 13.722 8.138 ( 0.328 0.000 -8.499) 8.505 8.829 ( 5.025 0.000 8.484) 9.860 9.758 ( 12.089 0.000 -13.941) 18.453 56.140 ( -0.680 -0.000 0.096) 0.686 56.147 ( -0.234 -0.000 -0.145) 0.276 ======================= Grid point 548 (259/372) ======================= q-point: (-0.21 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -15.260 -10.640 14.465) 23.566 1.699 ( -25.622 -5.698 -8.210) 27.502 2.883 ( -25.342 7.015 -2.642) 26.427 3.183 ( -23.202 -10.831 -1.813) 25.670 3.454 ( -9.229 1.054 3.668) 9.987 3.732 ( 3.173 -0.696 -5.814) 6.660 6.057 ( 0.696 3.661 -1.290) 3.943 6.331 ( 1.404 0.789 1.887) 2.481 6.777 ( -1.670 3.764 2.059) 4.604 6.893 ( -0.018 -2.196 0.640) 2.287 7.055 ( 0.660 9.783 1.769) 9.963 7.327 ( 1.721 -4.011 1.202) 4.527 7.529 ( 1.147 2.774 9.934) 10.378 8.104 ( -1.257 0.663 -7.795) 7.924 8.862 ( 4.221 5.034 7.063) 9.646 9.814 ( 11.191 1.816 -13.743) 17.816 56.134 ( -0.681 -0.212 0.119) 0.723 56.146 ( -0.253 -0.210 -0.157) 0.364 ======================= Grid point 549 (260/372) ======================= q-point: (-0.14 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -23.250 -8.826 -8.502) 26.282 1.634 ( -6.477 -23.349 25.224) 34.977 2.523 ( -26.751 1.542 -3.994) 27.091 3.135 ( -24.747 -15.695 -5.327) 29.785 3.429 ( -0.343 -0.178 10.135) 10.142 3.660 ( -3.152 6.156 -12.775) 14.527 5.982 ( 2.272 7.296 -2.406) 8.011 6.329 ( 0.295 0.547 -0.166) 0.644 6.685 ( -4.410 5.023 3.564) 7.575 6.923 ( 1.532 -0.642 -0.019) 1.661 6.929 ( 2.948 7.763 2.513) 8.676 7.336 ( 4.043 9.369 6.207) 11.944 7.529 ( -3.026 -2.762 1.610) 4.402 8.032 ( -3.109 2.379 -7.397) 8.369 8.794 ( 2.817 10.163 5.467) 11.879 9.851 ( 10.559 2.588 -10.087) 14.830 56.134 ( -0.562 -0.481 0.153) 0.755 56.147 ( -0.289 -0.349 -0.162) 0.481 ======================= Grid point 550 (261/372) ======================= q-point: (-0.07 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -17.204 -11.164 -4.507) 20.998 2.097 ( -1.881 -23.030 21.566) 31.607 2.304 ( -20.321 -9.792 -6.035) 23.351 3.151 ( -15.538 -12.041 -11.144) 22.596 3.411 ( -14.459 2.353 -14.797) 20.822 3.499 ( 4.751 1.546 17.552) 18.249 5.805 ( 1.633 16.471 -5.744) 17.520 6.341 ( -0.117 -2.672 0.245) 2.685 6.571 ( -3.355 4.634 3.705) 6.816 6.891 ( 3.793 2.406 2.021) 4.925 6.953 ( 2.739 -0.476 -0.581) 2.840 7.184 ( 2.234 13.798 6.851) 15.566 7.531 ( -5.386 -1.553 -1.921) 5.926 7.926 ( -3.860 2.458 -7.379) 8.682 8.629 ( 1.354 14.292 4.057) 14.918 9.866 ( 8.713 4.949 -6.466) 11.926 56.139 ( -0.334 -0.639 0.141) 0.735 56.150 ( -0.343 -0.495 -0.117) 0.613 ======================= Grid point 562 (262/372) ======================= q-point: (-0.21 -0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -15.704 -0.000 15.954) 22.387 1.360 ( -26.532 -0.000 -2.621) 26.661 2.656 ( -35.418 -0.000 -1.550) 35.452 2.760 ( -27.207 -0.000 -3.009) 27.373 3.397 ( -5.068 -0.000 2.301) 5.566 3.786 ( 6.366 0.000 -5.268) 8.263 6.097 ( 1.620 0.000 -0.699) 1.764 6.348 ( -0.095 -0.000 0.362) 0.375 6.832 ( 0.048 0.000 -2.290) 2.290 6.859 ( -0.637 -0.000 7.673) 7.700 7.221 ( 1.572 0.000 6.907) 7.083 7.227 ( 1.998 0.000 -3.879) 4.364 7.627 ( 1.986 0.000 10.344) 10.533 8.076 ( -0.535 -0.000 -7.930) 7.948 8.967 ( 3.382 0.000 7.482) 8.211 9.877 ( 9.201 0.000 -17.245) 19.546 56.125 ( -0.760 -0.000 0.167) 0.778 56.141 ( -0.189 -0.000 -0.207) 0.280 ======================= Grid point 563 (263/372) ======================= q-point: (-0.14 -0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -23.646 -6.894 -2.391) 24.746 1.286 ( -8.888 -19.313 26.033) 33.611 2.234 ( -34.058 3.021 -0.399) 34.195 2.597 ( -28.332 -13.477 -2.463) 31.470 3.371 ( -4.841 -2.031 -0.698) 5.296 3.773 ( 4.305 6.086 -6.595) 9.953 6.090 ( 3.106 3.387 -0.636) 4.640 6.333 ( -1.260 0.788 -1.377) 2.026 6.747 ( -3.566 6.047 3.455) 7.825 6.903 ( -1.067 -1.495 2.623) 3.202 7.123 ( 4.638 8.259 2.258) 9.738 7.373 ( 2.297 -5.844 0.942) 6.349 7.610 ( 0.430 7.178 7.715) 10.546 8.026 ( -0.820 2.458 -8.227) 8.626 8.975 ( 2.517 5.856 7.642) 9.951 9.916 ( 8.190 -0.937 -15.819) 17.838 56.121 ( -0.697 -0.333 0.220) 0.803 56.140 ( -0.165 -0.158 -0.235) 0.328 ======================= Grid point 564 (264/372) ======================= q-point: (-0.07 -0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -17.496 -13.270 -4.847) 22.488 1.734 ( -2.297 -27.410 22.819) 35.739 1.912 ( -28.581 -4.697 -1.283) 28.993 2.617 ( -22.189 -21.808 2.540) 31.216 3.292 ( -9.262 2.720 -15.450) 18.218 3.690 ( 5.652 6.505 4.853) 9.890 6.022 ( 2.598 9.538 -3.162) 10.379 6.303 ( -1.211 -0.712 -0.891) 1.664 6.619 ( -4.790 5.021 5.163) 8.649 6.903 ( -2.068 -0.687 0.860) 2.343 7.075 ( 6.707 5.952 2.731) 9.374 7.434 ( 2.006 4.429 1.044) 4.973 7.470 ( -3.770 6.883 2.623) 8.275 7.926 ( -1.698 4.242 -8.315) 9.488 8.877 ( 1.838 11.684 7.076) 13.783 9.963 ( 7.174 0.405 -11.925) 13.923 56.124 ( -0.545 -0.685 0.278) 0.919 56.141 ( -0.125 -0.271 -0.243) 0.385 ======================= Grid point 577 (265/372) ======================= q-point: (-0.14 -0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -20.526 -0.000 13.092) 24.346 1.070 ( -7.580 -0.000 28.698) 29.682 1.920 ( -36.210 -0.000 8.256) 37.139 2.165 ( -27.194 -0.000 -5.636) 27.772 3.299 ( -4.981 -0.000 -3.511) 6.095 3.839 ( 3.318 0.000 -9.157) 9.740 6.155 ( 4.401 0.000 -0.203) 4.405 6.318 ( -2.011 -0.000 -2.133) 2.931 6.774 ( -5.410 -0.000 -0.362) 5.423 6.877 ( -2.765 -0.000 4.896) 5.623 7.284 ( 5.096 0.000 -2.788) 5.809 7.330 ( 4.047 0.000 7.717) 8.714 7.694 ( -0.609 -0.000 5.611) 5.643 8.027 ( 1.158 0.000 -9.411) 9.482 9.081 ( 2.721 0.000 9.984) 10.348 9.913 ( 5.540 0.000 -16.909) 17.794 56.112 ( -0.659 -0.000 0.267) 0.711 56.137 ( -0.116 -0.000 -0.282) 0.305 ======================= Grid point 578 (266/372) ======================= q-point: (-0.07 -0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -13.985 -1.776 11.502) 18.194 1.340 ( -9.571 -20.700 20.765) 30.843 1.591 ( -25.497 -1.643 11.748) 28.122 2.063 ( -21.118 -19.447 4.506) 29.059 3.209 ( -6.848 2.466 -10.838) 13.055 3.808 ( 2.855 2.529 -6.717) 7.725 6.164 ( 3.442 5.256 -1.456) 6.449 6.286 ( -0.626 -0.138 -1.130) 1.299 6.659 ( -6.913 4.667 2.686) 8.762 6.858 ( -4.667 -0.877 1.039) 4.861 7.252 ( 5.215 6.634 3.064) 8.978 7.412 ( 0.268 -1.022 -0.039) 1.057 7.638 ( -1.110 7.301 3.437) 8.146 7.967 ( 0.745 4.365 -10.156) 11.079 9.087 ( 2.996 7.111 10.911) 13.364 9.953 ( 5.176 -3.532 -13.396) 14.789 56.110 ( -0.519 -0.407 0.330) 0.737 56.136 ( -0.056 -0.169 -0.303) 0.351 ======================= Grid point 592 (267/372) ======================= q-point: (-0.07 -0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 3.622 0.000 25.086) 25.347 1.051 ( -19.689 -0.000 17.590) 26.402 1.473 ( -10.540 -0.000 34.962) 36.517 1.637 ( -18.883 -0.000 -3.130) 19.141 3.141 ( -5.899 -0.000 -10.066) 11.667 3.801 ( 0.338 0.000 -14.007) 14.011 6.257 ( -1.667 -0.000 -1.213) 2.062 6.266 ( 5.706 0.000 -0.236) 5.711 6.624 ( -7.806 -0.000 0.093) 7.806 6.792 ( -6.709 -0.000 0.065) 6.710 7.368 ( 3.824 0.000 -0.958) 3.942 7.412 ( -0.702 -0.000 -0.846) 1.099 7.687 ( -2.262 -0.000 2.644) 3.480 7.983 ( 0.872 0.000 -11.565) 11.598 9.225 ( 3.841 0.000 13.375) 13.916 9.924 ( 4.733 0.000 -7.771) 9.099 56.103 ( -0.378 -0.000 0.386) 0.541 56.133 ( -0.026 -0.000 -0.356) 0.357 ======================= Grid point 593 (268/372) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -10.807 -0.000 7.725) 13.284 1.080 ( 12.595 0.000 -7.435) 14.625 2.028 ( 8.310 0.000 27.915) 29.126 2.423 ( -1.272 -0.000 7.544) 7.650 2.660 ( -1.103 -0.000 6.682) 6.773 3.202 ( -3.742 -0.000 -28.830) 29.071 6.311 ( -4.277 -0.000 1.892) 4.677 6.338 ( 6.574 0.000 0.015) 6.574 6.574 ( 4.609 0.000 -0.024) 4.609 6.584 ( -6.780 -0.000 -1.584) 6.963 7.344 ( -3.436 -0.000 2.762) 4.408 7.398 ( 2.174 0.000 -2.341) 3.194 7.653 ( -5.248 -0.000 2.860) 5.977 7.746 ( 3.089 0.000 -6.889) 7.550 9.637 ( 0.080 0.000 12.221) 12.221 9.850 ( 2.549 0.000 -9.624) 9.956 56.111 ( -0.076 -0.000 0.542) 0.547 56.122 ( 0.089 0.000 -0.523) 0.531 ======================= Grid point 594 (269/372) ======================= q-point: ( 0.07 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 4.085 -10.424 6.454) 12.923 1.325 ( 19.181 -10.711 -7.820) 23.319 1.921 ( 9.430 25.350 32.312) 42.138 2.159 ( -5.573 19.478 -27.503) 34.159 3.039 ( 6.594 -25.469 27.054) 37.737 3.280 ( -3.391 -20.589 -25.303) 32.797 6.257 ( -5.347 1.938 -0.041) 5.688 6.386 ( 3.432 0.330 -1.923) 3.948 6.537 ( 0.062 0.637 0.766) 0.999 6.643 ( 7.758 -0.291 0.900) 7.815 7.282 ( -4.857 4.444 4.319) 7.874 7.386 ( 1.196 3.320 -2.930) 4.587 7.582 ( -4.495 2.682 4.992) 7.234 7.736 ( 3.872 2.885 -5.368) 7.221 9.604 ( -2.054 6.561 11.056) 13.019 9.755 ( -0.906 8.678 -12.033) 14.864 56.116 ( 0.008 -0.309 0.511) 0.597 56.124 ( 0.193 -0.338 -0.514) 0.645 ======================= Grid point 595 (270/372) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 7.239 -5.990 -2.754) 9.791 1.629 ( 7.103 7.997 15.108) 18.511 1.754 ( 9.695 5.323 -15.464) 19.012 1.824 ( 15.485 4.000 7.102) 17.500 3.543 ( -2.177 -23.245 -21.044) 31.431 3.588 ( 5.425 -23.393 17.002) 29.423 6.096 ( -6.961 9.887 -4.434) 12.879 6.395 ( -2.439 -2.334 -1.594) 3.733 6.559 ( 8.904 4.443 2.017) 10.153 6.742 ( 7.650 -1.194 2.001) 7.997 7.109 ( -7.205 10.632 4.967) 13.770 7.295 ( 1.952 7.766 0.559) 8.027 7.538 ( -2.941 0.164 3.565) 4.624 7.707 ( 3.732 3.284 -5.235) 7.219 9.464 ( -3.998 13.560 -6.334) 15.491 9.511 ( -1.303 10.411 4.713) 11.502 56.124 ( 0.030 -0.460 0.414) 0.619 56.133 ( 0.311 -0.596 -0.432) 0.799 ======================= Grid point 596 (271/372) ======================= q-point: ( 0.21 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 6.193 -2.155 -13.642) 15.136 1.529 ( 8.421 13.302 28.148) 32.251 1.940 ( 12.753 -10.325 3.839) 16.852 2.195 ( 18.735 -15.312 -2.938) 24.374 3.819 ( -0.715 -19.431 -18.410) 26.777 3.994 ( 2.012 -16.263 6.428) 17.603 5.762 ( -7.722 19.044 -5.782) 21.348 6.418 ( -2.925 -4.593 -1.452) 5.636 6.536 ( 10.341 12.930 3.316) 16.885 6.826 ( 1.757 1.656 5.710) 6.199 6.881 ( -4.418 5.681 0.636) 7.225 7.223 ( 4.029 5.482 4.993) 8.439 7.517 ( -1.514 0.514 -1.233) 2.019 7.667 ( 2.116 3.270 -3.750) 5.407 9.095 ( -4.530 18.643 -13.725) 23.590 9.418 ( 0.417 6.641 14.200) 15.682 56.133 ( 0.028 -0.483 0.278) 0.559 56.147 ( 0.404 -0.733 -0.299) 0.889 ======================= Grid point 597 (272/372) ======================= q-point: ( 0.29 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 7.611 -13.907 -0.169) 15.855 1.582 ( 11.329 1.874 22.738) 25.473 2.248 ( 10.553 -10.311 2.611) 14.983 2.621 ( 14.054 -16.169 0.135) 21.424 4.013 ( 0.463 -10.056 -13.904) 17.166 4.187 ( -2.357 -7.200 -4.456) 8.789 5.317 ( -6.221 23.266 -4.184) 24.444 6.376 ( 7.309 17.311 7.046) 20.068 6.474 ( -2.274 -5.823 -1.239) 6.372 6.750 ( -2.462 0.759 2.121) 3.337 6.896 ( 1.325 -0.317 1.445) 1.986 7.205 ( 1.337 3.543 4.157) 5.624 7.495 ( 3.191 0.772 -4.332) 5.435 7.636 ( 0.777 1.455 0.795) 1.831 8.713 ( -3.429 17.245 -12.215) 21.409 9.377 ( 1.219 5.621 14.177) 15.300 56.142 ( 0.032 -0.437 0.149) 0.463 56.163 ( 0.434 -0.740 -0.156) 0.872 ======================= Grid point 598 (273/372) ======================= q-point: ( 0.36 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 3.541 -10.198 12.691) 16.661 1.881 ( 12.308 -11.649 4.924) 17.648 2.492 ( 6.526 -7.688 1.779) 10.240 2.993 ( 8.545 -14.184 1.553) 16.632 4.036 ( 0.078 4.226 -6.069) 7.396 4.172 ( -4.759 0.123 -11.748) 12.676 4.911 ( -2.613 17.357 -2.561) 17.738 6.236 ( 6.762 10.895 7.171) 14.692 6.537 ( -1.930 -4.436 -0.651) 4.881 6.771 ( 0.668 -3.481 0.878) 3.652 6.895 ( -1.059 1.349 2.745) 3.237 7.146 ( -2.349 2.821 -0.851) 3.768 7.541 ( 5.166 -0.832 -1.318) 5.396 7.651 ( 2.079 -1.382 3.659) 4.429 8.397 ( -2.051 13.387 -10.162) 16.932 9.340 ( 0.827 5.455 11.314) 12.588 56.149 ( 0.039 -0.344 0.050) 0.350 56.178 ( 0.372 -0.602 -0.036) 0.708 ======================= Grid point 599 (274/372) ======================= q-point: ( 0.43 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -0.505 -11.656 5.376) 12.846 2.158 ( 9.025 -7.035 2.571) 11.729 2.641 ( 2.914 -4.354 0.274) 5.247 3.247 ( 3.341 -8.390 0.852) 9.071 3.856 ( -1.117 13.743 2.119) 13.950 4.058 ( -4.177 1.725 -12.915) 13.683 4.721 ( 0.889 4.912 -0.736) 5.046 6.194 ( 5.343 4.971 4.742) 8.703 6.568 ( -1.637 -1.954 -0.379) 2.577 6.858 ( 0.334 -0.423 -1.176) 1.293 6.868 ( 0.134 -3.218 4.277) 5.354 7.078 ( -1.995 2.291 -1.697) 3.480 7.581 ( 0.973 -0.609 0.525) 1.262 7.754 ( 4.171 -4.532 4.446) 7.596 8.168 ( -1.448 8.984 -8.407) 12.389 9.298 ( 0.701 3.689 6.944) 7.894 56.154 ( 0.036 -0.204 -0.021) 0.208 56.188 ( 0.219 -0.327 0.042) 0.396 ======================= Grid point 600 (275/372) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -2.299 -1.824 2.565) 3.898 2.313 ( 0.882 -5.606 -4.273) 7.103 2.701 ( 1.662 -0.478 -1.844) 2.527 3.329 ( -0.125 0.582 0.650) 0.882 3.686 ( 0.948 6.933 8.611) 11.095 3.981 ( -3.156 -2.009 -9.903) 10.587 4.704 ( -0.760 -1.435 -0.160) 1.632 6.201 ( 2.694 0.689 2.125) 3.500 6.576 ( -1.303 -1.434 -1.002) 2.181 6.834 ( -0.348 1.478 2.811) 3.195 6.956 ( 2.896 -0.855 -0.443) 3.052 7.026 ( -0.280 0.635 -1.272) 1.449 7.593 ( -1.466 -0.809 0.755) 1.837 7.883 ( 1.490 -5.569 4.560) 7.350 8.008 ( -2.120 5.707 -6.618) 8.992 9.302 ( 1.981 -1.304 2.111) 3.175 56.156 ( 0.020 -0.029 -0.071) 0.080 56.192 ( 0.005 0.034 0.080) 0.087 ======================= Grid point 601 (276/372) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -3.351 6.604 1.785) 7.618 2.311 ( -7.684 -2.079 -13.026) 15.266 2.683 ( 0.389 2.663 -4.276) 5.053 3.242 ( -2.418 8.673 1.496) 9.127 3.705 ( 3.765 -0.106 14.298) 14.785 3.989 ( -3.062 -3.980 -3.324) 6.022 4.747 ( -3.476 -8.446 -2.780) 9.547 6.242 ( -0.053 -3.877 -0.405) 3.898 6.575 ( -0.804 0.322 -1.202) 1.482 6.819 ( 0.205 1.654 2.203) 2.762 6.942 ( 3.290 2.712 -1.411) 4.491 7.058 ( 2.634 -0.793 -0.222) 2.760 7.578 ( -4.109 -0.375 0.715) 4.187 7.862 ( -4.096 3.701 -6.974) 8.895 8.033 ( 0.183 -8.588 5.921) 10.433 9.394 ( 3.195 -6.202 -2.716) 7.486 56.155 ( 0.004 0.146 -0.110) 0.182 56.188 ( -0.218 0.404 0.101) 0.470 ======================= Grid point 602 (277/372) ======================= q-point: (-0.36 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -5.225 12.596 1.096) 13.681 2.176 ( -11.665 -1.446 -19.547) 22.809 2.584 ( -4.633 4.328 -9.439) 11.371 3.008 ( -5.806 15.107 0.774) 16.203 3.813 ( 4.985 0.545 16.681) 17.418 3.951 ( -4.426 5.211 8.512) 10.918 4.952 ( -1.025 -21.401 -5.228) 22.054 6.328 ( -2.437 -8.704 -2.262) 9.318 6.530 ( 0.311 4.381 -0.309) 4.403 6.796 ( 0.622 1.016 -1.870) 2.217 6.957 ( 3.680 0.667 -2.018) 4.250 7.100 ( 3.173 -1.482 3.345) 4.843 7.518 ( -7.722 0.606 0.737) 7.781 7.759 ( -2.654 1.365 -7.078) 7.682 8.235 ( 0.167 -13.481 6.775) 15.088 9.526 ( 2.815 -7.528 -7.523) 11.009 56.151 ( 0.005 0.281 -0.142) 0.315 56.176 ( -0.396 0.698 0.134) 0.814 ======================= Grid point 603 (278/372) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -7.485 18.304 -1.566) 19.837 2.011 ( -12.574 0.149 -15.024) 19.592 2.408 ( -10.588 0.042 -19.196) 21.922 2.644 ( -10.864 18.647 -0.860) 21.598 3.700 ( -4.482 16.947 16.911) 24.357 3.968 ( 6.200 2.386 16.703) 17.975 5.334 ( 1.677 -24.867 -4.485) 25.323 6.440 ( 1.031 0.470 1.272) 1.704 6.466 ( -3.947 -5.619 -1.885) 7.121 6.819 ( 3.896 -3.425 -4.832) 7.089 6.944 ( -0.063 1.779 -2.872) 3.379 7.216 ( 3.068 -6.259 4.607) 8.356 7.421 ( -9.460 -0.062 1.046) 9.518 7.713 ( -0.619 -0.111 -6.168) 6.200 8.517 ( 1.552 -16.744 8.182) 18.701 9.632 ( 1.659 -6.343 -11.762) 13.465 56.145 ( 0.024 0.369 -0.176) 0.410 56.159 ( -0.486 0.844 0.194) 0.994 ======================= Grid point 604 (279/372) ======================= q-point: (-0.21 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -8.000 15.704 1.654) 17.702 1.780 ( -14.940 7.849 0.068) 16.877 2.179 ( -14.334 19.420 -4.067) 24.477 2.316 ( -12.455 -11.996 -28.490) 33.328 3.394 ( -1.565 24.064 24.120) 34.107 3.981 ( 4.074 8.410 7.412) 11.927 5.722 ( 3.430 -19.903 -1.306) 20.238 6.387 ( 3.654 5.176 1.489) 6.508 6.553 ( -7.124 -7.671 0.928) 10.511 6.876 ( -2.863 1.912 -2.161) 4.065 6.990 ( 5.847 -11.023 -6.490) 14.065 7.314 ( -6.629 -4.199 -4.104) 8.855 7.406 ( -0.657 -6.143 8.599) 10.588 7.700 ( 0.362 -0.720 -5.688) 5.745 8.858 ( 3.468 -17.784 10.645) 21.014 9.693 ( 1.073 -4.785 -13.873) 14.714 56.138 ( -0.057 0.556 -0.043) 0.560 56.142 ( -0.371 0.681 0.087) 0.780 ======================= Grid point 605 (280/372) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -0.621 -2.789 18.828) 19.044 1.490 ( -16.633 7.455 9.080) 20.364 1.694 ( -16.476 17.304 -2.982) 24.079 2.362 ( -9.408 -17.446 -29.313) 35.385 3.057 ( 1.611 27.143 27.359) 38.573 3.815 ( 0.050 14.466 -5.952) 15.643 6.030 ( 4.931 -12.132 1.872) 13.229 6.365 ( 4.318 3.432 1.391) 5.689 6.572 ( -7.888 -3.988 0.816) 8.876 6.785 ( -7.056 1.551 -2.533) 7.656 7.218 ( 6.201 -9.496 -5.008) 12.397 7.308 ( -5.175 -4.708 -0.888) 7.052 7.544 ( -1.344 -7.893 4.327) 9.101 7.706 ( 0.664 -1.644 -6.458) 6.697 9.216 ( 4.455 -15.457 12.917) 20.631 9.736 ( 1.933 -4.364 -12.311) 13.204 56.124 ( -0.333 0.680 0.434) 0.873 56.132 ( 0.009 0.379 -0.390) 0.544 ======================= Grid point 606 (281/372) ======================= q-point: (-0.07 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -3.803 5.038 5.699) 8.504 1.217 ( -12.954 13.102 1.477) 18.483 1.599 ( -0.125 -20.524 27.329) 34.178 2.453 ( -5.538 -9.325 -15.236) 18.702 2.754 ( 1.612 19.241 21.401) 28.824 3.496 ( -2.840 16.378 -19.481) 25.609 6.229 ( 5.328 -5.176 2.366) 7.796 6.353 ( 0.793 2.379 1.061) 2.723 6.553 ( -3.039 -1.495 -0.058) 3.387 6.676 ( -8.261 0.779 -2.609) 8.698 7.338 ( -2.479 -3.293 1.751) 4.479 7.360 ( 3.293 -3.057 -3.470) 5.677 7.645 ( -3.731 -5.663 2.654) 7.283 7.724 ( 1.542 -2.172 -8.212) 8.633 9.505 ( 3.118 -8.951 13.440) 16.446 9.802 ( 3.471 -4.292 -9.267) 10.786 56.114 ( -0.212 0.374 0.520) 0.675 56.125 ( 0.034 0.275 -0.490) 0.563 ======================= Grid point 608 (282/372) ======================= q-point: ( 0.07 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 20.484 0.000 3.065) 20.712 1.447 ( 24.270 0.000 -6.797) 25.204 2.231 ( -4.132 -0.000 -21.783) 22.171 2.400 ( 10.252 0.000 20.707) 23.105 2.916 ( 6.238 0.000 29.472) 30.125 2.942 ( -1.454 -0.000 -28.957) 28.994 6.249 ( -1.119 -0.000 1.500) 1.871 6.347 ( -5.008 -0.000 -4.812) 6.946 6.606 ( 8.067 0.000 2.077) 8.330 6.727 ( 8.301 0.000 1.455) 8.428 7.274 ( -6.066 -0.000 4.388) 7.487 7.410 ( 0.741 0.000 -1.699) 1.854 7.581 ( -4.241 -0.000 6.723) 7.949 7.793 ( 4.555 0.000 -3.634) 5.827 9.639 ( -6.796 -0.000 8.932) 11.223 9.779 ( -1.391 -0.000 -13.898) 13.967 56.115 ( 0.135 0.000 0.495) 0.514 56.122 ( 0.273 0.000 -0.514) 0.582 ======================= Grid point 609 (283/372) ======================= q-point: ( 0.14 0.07 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 22.591 -1.251 -3.869) 22.954 1.727 ( 22.190 -5.989 -5.185) 23.561 1.948 ( 3.343 15.585 -20.506) 25.972 2.332 ( 10.525 20.674 25.219) 34.266 3.063 ( 0.167 -21.756 -25.264) 33.341 3.328 ( 6.209 -21.937 19.407) 29.941 6.176 ( -2.987 7.122 -1.818) 7.935 6.315 ( -2.582 -2.407 -2.148) 4.132 6.687 ( 7.222 0.900 1.326) 7.398 6.821 ( 8.059 -0.342 1.981) 8.306 7.182 ( -7.646 5.004 5.015) 10.424 7.395 ( 1.097 2.448 -0.463) 2.722 7.546 ( -2.949 2.194 8.220) 9.005 7.798 ( 4.853 3.683 -4.092) 7.339 9.555 ( -7.726 3.595 6.515) 10.726 9.632 ( -2.726 8.930 -12.675) 15.743 56.121 ( 0.189 -0.220 0.410) 0.502 56.127 ( 0.374 -0.379 -0.444) 0.693 ======================= Grid point 610 (284/372) ======================= q-point: ( 0.21 0.07 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 10.647 7.996 -19.417) 23.544 1.932 ( 21.038 4.511 1.963) 21.606 2.022 ( 15.442 -3.415 10.816) 19.160 2.269 ( 15.300 5.829 13.382) 21.146 3.386 ( 2.030 -24.334 -21.693) 32.662 3.754 ( 2.909 -18.004 6.910) 19.502 5.959 ( -4.711 13.768 -1.889) 14.673 6.333 ( -0.372 -2.384 -1.808) 3.015 6.721 ( 3.939 2.252 -0.243) 4.544 6.896 ( 4.711 0.570 0.235) 4.751 6.989 ( -6.530 10.992 6.912) 14.534 7.362 ( 2.562 4.422 4.541) 6.837 7.514 ( -1.679 1.207 4.471) 4.926 7.753 ( 4.299 5.276 -5.173) 8.549 9.314 ( -2.489 16.507 -13.655) 21.567 9.498 ( -6.086 1.882 10.589) 12.358 56.128 ( 0.191 -0.330 0.285) 0.476 56.139 ( 0.451 -0.642 -0.324) 0.849 ======================= Grid point 611 (285/372) ======================= q-point: ( 0.29 0.07 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 13.894 -5.615 -7.101) 16.583 1.985 ( 17.318 14.653 25.979) 34.490 2.282 ( 16.095 -4.435 6.215) 17.814 2.535 ( 14.506 -12.014 -2.082) 18.950 3.720 ( 3.372 -19.902 -17.013) 26.399 3.999 ( -1.295 -10.590 -5.099) 11.825 5.626 ( -4.505 20.569 1.042) 21.082 6.375 ( 0.300 -3.403 -1.763) 3.844 6.690 ( 3.869 8.413 -1.623) 9.401 6.752 ( -6.883 6.288 6.411) 11.315 6.931 ( 3.324 1.851 0.760) 3.880 7.310 ( -0.437 6.514 5.609) 8.607 7.515 ( 1.927 -0.869 -0.209) 2.124 7.702 ( 4.250 4.195 -1.987) 6.294 8.955 ( -1.234 18.984 -12.065) 22.528 9.461 ( -4.603 1.249 12.397) 13.283 56.137 ( 0.185 -0.356 0.178) 0.439 56.154 ( 0.469 -0.758 -0.210) 0.916 ======================= Grid point 612 (286/372) ======================= q-point: ( 0.36 0.07 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 12.384 -8.821 3.582) 15.620 2.066 ( 18.603 7.017 23.788) 31.003 2.507 ( 12.277 -3.116 2.489) 12.909 2.864 ( 9.366 -13.307 -1.782) 16.370 3.947 ( 0.367 -9.053 -12.750) 15.641 4.065 ( -1.343 -4.621 -11.191) 12.182 5.229 ( -3.100 22.978 3.892) 23.511 6.414 ( -1.175 0.292 0.702) 1.399 6.541 ( 4.163 7.580 1.660) 8.806 6.725 ( -0.906 -2.134 1.335) 2.675 6.921 ( 0.465 2.440 0.897) 2.641 7.187 ( -2.995 5.936 -0.343) 6.658 7.565 ( 2.311 -1.407 0.998) 2.884 7.706 ( 6.066 1.655 2.304) 6.696 8.611 ( -0.328 17.560 -9.376) 19.909 9.425 ( -4.311 2.445 10.400) 11.521 56.145 ( 0.186 -0.320 0.091) 0.381 56.170 ( 0.400 -0.717 -0.109) 0.828 ======================= Grid point 613 (287/372) ======================= q-point: ( 0.43 0.07 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 8.419 -3.419 9.930) 13.460 2.274 ( 17.945 0.010 12.028) 21.603 2.645 ( 7.833 -0.898 0.270) 7.889 3.135 ( 5.110 -10.907 -1.116) 12.096 3.918 ( -4.540 0.998 -14.826) 15.537 4.072 ( 0.713 3.472 -2.889) 4.573 4.895 ( -0.629 15.627 4.608) 16.304 6.332 ( 0.016 6.265 1.072) 6.356 6.562 ( 3.906 -0.425 0.691) 3.989 6.790 ( 1.277 -4.764 0.489) 4.957 6.865 ( -3.095 1.892 0.695) 3.693 7.094 ( -0.943 2.391 -2.122) 3.333 7.603 ( 1.387 -0.333 3.515) 3.794 7.777 ( 6.241 -0.688 3.126) 7.014 8.320 ( -0.586 14.221 -7.520) 16.097 9.360 ( -4.351 3.073 6.357) 8.294 56.151 ( 0.183 -0.227 0.028) 0.293 56.184 ( 0.244 -0.520 -0.041) 0.576 ======================= Grid point 614 (288/372) ======================= q-point: ( 0.50 0.07 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 4.707 -1.578 8.418) 9.773 2.432 ( 13.979 5.722 4.259) 15.694 2.716 ( 5.664 -0.148 -2.035) 6.020 3.302 ( 1.978 -5.017 -0.578) 5.424 3.792 ( -2.794 3.464 -9.220) 10.238 3.961 ( -1.347 6.913 2.273) 7.401 4.737 ( -1.037 6.074 3.353) 7.015 6.246 ( -0.878 3.544 -2.130) 4.228 6.584 ( 1.943 1.815 2.298) 3.514 6.824 ( -1.896 -1.966 -1.604) 3.168 6.914 ( 2.786 -5.696 0.020) 6.341 7.053 ( 0.550 2.228 -1.417) 2.697 7.632 ( 2.884 1.453 4.972) 5.928 7.851 ( 1.994 -1.440 3.413) 4.207 8.086 ( -2.158 9.871 -6.381) 11.951 9.298 ( -3.308 0.547 1.483) 3.666 56.156 ( 0.169 -0.079 -0.020) 0.188 56.191 ( 0.032 -0.203 -0.008) 0.205 ======================= Grid point 615 (289/372) ======================= q-point: (-0.43 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 1.839 3.357 5.651) 6.825 2.376 ( 6.494 13.675 -3.554) 15.550 2.746 ( 5.080 3.051 -3.910) 7.100 3.328 ( -0.205 3.198 0.607) 3.262 3.755 ( 1.143 -3.202 -1.386) 3.672 3.893 ( -1.729 0.269 5.506) 5.777 4.654 ( -4.341 1.664 1.769) 4.974 6.185 ( -3.034 0.092 -4.821) 5.697 6.582 ( 0.928 0.600 1.853) 2.157 6.841 ( 0.100 -0.844 -0.211) 0.875 7.001 ( 3.006 0.840 -3.969) 5.049 7.047 ( 2.542 -2.543 -0.012) 3.596 7.622 ( 2.481 5.915 3.828) 7.470 7.854 ( -5.032 2.520 -1.416) 5.803 7.959 ( -0.493 -1.268 1.717) 2.191 9.301 ( -1.757 -4.608 -3.550) 6.076 56.157 ( 0.150 0.095 -0.059) 0.187 56.191 ( -0.187 0.168 0.009) 0.251 ======================= Grid point 616 (290/372) ======================= q-point: (-0.36 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -0.538 11.038 2.721) 11.382 2.146 ( 0.718 14.038 -11.305) 18.039 2.662 ( 1.134 9.713 -6.014) 11.480 3.182 ( -3.652 12.567 -0.724) 13.107 3.869 ( 0.859 -6.027 3.011) 6.792 3.955 ( 1.675 -3.556 13.521) 14.081 4.660 ( -3.009 -9.221 1.288) 9.785 6.154 ( -5.520 -4.464 -7.477) 10.311 6.591 ( 1.619 1.049 1.458) 2.418 6.835 ( 0.734 1.929 -0.353) 2.094 6.997 ( 3.579 1.169 -5.156) 6.384 7.114 ( 2.512 -1.666 -0.023) 3.014 7.508 ( -4.866 6.758 2.186) 8.610 7.748 ( -2.143 2.715 -4.569) 5.731 8.079 ( 1.144 -9.257 8.496) 12.617 9.373 ( -1.916 -8.144 -8.462) 11.900 56.155 ( 0.144 0.256 -0.095) 0.308 56.182 ( -0.358 0.508 0.042) 0.623 ======================= Grid point 617 (291/372) ======================= q-point: (-0.29 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -3.471 17.771 -3.347) 18.414 1.914 ( -0.444 8.208 -16.669) 18.585 2.417 ( -5.656 14.410 -5.712) 16.501 2.843 ( -8.818 19.466 -4.446) 21.827 3.903 ( -1.449 4.333 11.729) 12.587 4.101 ( 5.822 -1.593 16.419) 17.493 4.940 ( 2.715 -23.159 0.928) 23.336 6.178 ( -8.050 -10.557 -9.193) 16.149 6.579 ( 3.304 4.258 1.854) 5.700 6.817 ( 2.258 0.630 -2.299) 3.284 6.976 ( 1.101 2.818 -5.892) 6.623 7.164 ( -0.944 -2.933 -0.300) 3.096 7.370 ( -5.370 3.029 4.851) 7.845 7.696 ( -0.445 0.458 -5.178) 5.217 8.324 ( 4.129 -13.338 10.629) 17.548 9.452 ( -3.629 -8.984 -12.889) 16.124 56.151 ( 0.157 0.374 -0.140) 0.429 56.168 ( -0.442 0.745 0.113) 0.874 ======================= Grid point 618 (292/372) ======================= q-point: (-0.21 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -3.821 21.373 -4.264) 22.126 1.774 ( -0.659 1.450 -19.124) 19.190 2.079 ( -12.061 12.155 -4.822) 17.789 2.373 ( -10.931 22.127 -6.797) 25.599 3.798 ( 1.604 14.711 20.160) 25.008 4.170 ( 3.807 5.455 8.462) 10.764 5.403 ( 6.906 -24.938 3.088) 26.060 6.264 ( -10.630 -14.197 -8.135) 19.512 6.542 ( 5.501 6.036 2.333) 8.493 6.864 ( -0.524 -2.979 -4.225) 5.197 6.899 ( 1.538 1.853 -3.907) 4.590 7.151 ( -8.409 -3.642 -3.824) 9.929 7.384 ( 2.189 -2.368 9.161) 9.712 7.680 ( 0.126 -0.621 -5.506) 5.543 8.659 ( 6.265 -16.230 12.121) 21.204 9.506 ( -5.182 -9.038 -15.665) 18.814 56.146 ( 0.178 0.457 -0.212) 0.534 56.151 ( -0.425 0.830 0.223) 0.959 ======================= Grid point 619 (293/372) ======================= q-point: (-0.14 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -0.250 7.953 11.631) 14.093 1.620 ( -3.553 16.493 7.519) 18.471 1.821 ( -14.561 4.108 -17.090) 22.824 1.935 ( -4.350 5.246 -20.951) 22.032 3.595 ( 4.431 22.481 23.663) 32.939 4.039 ( 0.078 13.826 -3.260) 14.206 5.870 ( 10.263 -18.643 5.534) 21.989 6.327 ( -11.764 -9.482 -5.675) 16.140 6.528 ( 6.758 3.968 2.614) 8.261 6.748 ( -6.934 3.815 -3.580) 8.686 7.057 ( 4.419 -11.499 -4.801) 13.221 7.143 ( -7.006 -6.799 -1.675) 9.906 7.485 ( 1.837 -3.115 7.933) 8.718 7.677 ( 0.569 -0.808 -6.089) 6.169 9.042 ( 6.387 -16.795 13.266) 22.334 9.553 ( -5.026 -9.976 -15.336) 18.973 56.135 ( -0.301 0.783 0.358) 0.912 56.139 ( 0.164 0.494 -0.332) 0.618 ======================= Grid point 620 (294/372) ======================= q-point: (-0.07 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -0.163 6.107 18.071) 19.076 1.381 ( 1.826 -3.357 20.837) 21.185 1.480 ( 2.401 14.755 -5.883) 16.065 1.988 ( -6.118 -19.254 -31.530) 37.447 3.323 ( 5.986 26.606 25.175) 37.114 3.718 ( -2.461 19.715 -14.979) 24.882 6.221 ( 10.576 -7.867 4.830) 14.038 6.305 ( -8.978 -4.183 -3.569) 10.528 6.564 ( 4.746 0.970 2.277) 5.352 6.614 ( -5.204 2.218 -3.449) 6.626 7.210 ( -4.983 -8.326 1.954) 9.898 7.269 ( 2.237 -10.294 -4.099) 11.304 7.558 ( -1.427 -2.422 5.991) 6.618 7.684 ( 1.939 -1.684 -7.026) 7.480 9.390 ( 3.430 -13.396 13.035) 19.004 9.640 ( -2.843 -11.250 -12.776) 17.259 56.122 ( -0.155 0.593 0.468) 0.771 56.131 ( 0.167 0.493 -0.456) 0.692 ======================= Grid point 623 (295/372) ======================= q-point: ( 0.14 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 24.138 0.000 -9.174) 25.822 1.883 ( 20.587 0.000 -8.098) 22.122 2.117 ( 7.684 0.000 -9.835) 12.481 2.538 ( 2.086 0.000 -15.257) 15.399 2.962 ( 12.355 0.000 4.189) 13.045 3.220 ( 6.850 0.000 21.790) 22.842 6.201 ( -5.364 -0.000 -3.963) 6.669 6.280 ( 2.523 0.000 0.854) 2.663 6.757 ( 3.286 0.000 1.950) 3.821 6.903 ( 6.901 0.000 2.229) 7.252 7.161 ( -6.212 -0.000 3.615) 7.188 7.415 ( 0.375 0.000 -0.459) 0.592 7.575 ( -2.296 -0.000 11.130) 11.364 7.872 ( 5.203 0.000 -3.660) 6.361 9.498 ( -11.001 -0.000 7.399) 13.257 9.634 ( -2.567 -0.000 -16.603) 16.800 56.123 ( 0.292 0.000 0.386) 0.484 56.127 ( 0.456 0.000 -0.427) 0.625 ======================= Grid point 624 (296/372) ======================= q-point: ( 0.21 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 11.692 12.378 -21.701) 27.583 2.099 ( 16.061 -7.119 -7.977) 19.295 2.209 ( 23.472 2.222 3.311) 23.808 2.584 ( 5.000 3.124 5.153) 7.830 3.089 ( 13.458 -7.102 -3.720) 15.665 3.540 ( 5.576 -15.672 8.993) 18.910 6.082 ( -4.024 7.068 -1.691) 8.308 6.316 ( 2.237 -0.703 -0.842) 2.491 6.758 ( -2.548 1.059 2.348) 3.623 6.958 ( 3.722 1.617 1.090) 4.202 7.085 ( -2.418 4.885 2.285) 5.910 7.418 ( 0.644 -0.170 0.008) 0.666 7.564 ( -1.944 3.156 11.799) 12.367 7.875 ( 5.422 4.376 -4.698) 8.403 9.416 ( -8.485 0.807 4.879) 9.821 9.482 ( -3.952 6.981 -11.898) 14.350 56.128 ( 0.322 -0.127 0.235) 0.419 56.134 ( 0.512 -0.399 -0.280) 0.707 ======================= Grid point 625 (297/372) ======================= q-point: ( 0.29 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 16.264 2.759 -11.456) 20.084 2.358 ( 13.982 -6.075 0.081) 15.245 2.452 ( 19.326 -0.175 6.611) 20.426 2.572 ( 9.385 6.735 9.827) 15.166 3.424 ( 12.453 -16.958 -8.521) 22.699 3.809 ( 2.307 -10.824 -3.740) 11.682 5.874 ( -3.455 13.889 1.844) 14.430 6.345 ( 1.758 -1.121 -2.336) 3.131 6.708 ( -4.774 0.484 2.771) 5.541 6.889 ( -1.162 9.094 1.939) 9.370 7.014 ( 3.039 3.384 -1.682) 4.849 7.418 ( -0.365 3.302 3.115) 4.554 7.524 ( -1.054 1.858 6.430) 6.775 7.833 ( 6.111 5.400 -3.339) 8.812 9.188 ( -1.321 15.172 -13.581) 20.406 9.412 ( -8.702 -2.704 10.696) 14.052 56.135 ( 0.310 -0.232 0.144) 0.413 56.147 ( 0.515 -0.627 -0.188) 0.833 ======================= Grid point 626 (298/372) ======================= q-point: ( 0.36 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 19.402 -6.265 -0.706) 20.401 2.478 ( 9.106 10.022 28.736) 31.767 2.656 ( 17.706 -1.956 0.235) 17.815 2.721 ( 9.255 -9.652 -8.975) 16.105 3.757 ( 6.443 -11.937 -7.442) 15.472 3.939 ( 3.597 -6.717 -10.739) 13.168 5.572 ( -3.025 20.087 5.347) 21.006 6.375 ( 0.024 -2.449 -2.790) 3.712 6.694 ( -1.851 -0.527 5.466) 5.795 6.714 ( 0.185 9.109 -1.488) 9.232 6.995 ( 3.430 3.253 -1.345) 4.915 7.282 ( -3.585 9.593 1.354) 10.331 7.554 ( 0.846 -2.342 2.896) 3.819 7.823 ( 6.599 3.299 0.765) 7.417 8.870 ( -0.154 17.412 -10.793) 20.486 9.396 ( -8.669 -1.534 9.725) 13.118 56.143 ( 0.298 -0.268 0.085) 0.410 56.163 ( 0.436 -0.701 -0.124) 0.835 ======================= Grid point 627 (299/372) ======================= q-point: ( 0.43 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 17.072 -3.286 5.555) 18.252 2.514 ( 6.440 4.235 20.876) 22.254 2.822 ( 19.701 5.180 1.777) 20.448 2.968 ( 4.006 -14.275 -7.332) 16.540 3.831 ( -1.324 -1.224 -12.748) 12.875 4.079 ( 6.007 -3.708 -4.358) 8.296 5.220 ( -1.644 21.486 7.994) 22.984 6.390 ( -1.440 0.823 -0.843) 1.860 6.579 ( 0.151 2.276 -4.003) 4.607 6.770 ( 3.033 -3.503 4.042) 6.149 6.924 ( -0.175 8.613 0.808) 8.653 7.128 ( -0.753 4.022 -2.594) 4.845 7.610 ( 0.666 -1.821 5.212) 5.561 7.859 ( 6.208 1.250 2.027) 6.649 8.557 ( 0.447 17.197 -8.508) 19.191 9.339 ( -9.153 0.350 6.070) 10.988 56.150 ( 0.293 -0.238 0.044) 0.380 56.177 ( 0.274 -0.614 -0.083) 0.677 ======================= Grid point 628 (300/372) ======================= q-point: ( 0.50 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 9.993 3.432 12.201) 16.140 2.614 ( 7.468 -1.250 5.396) 9.298 2.914 ( 18.880 8.883 2.766) 21.048 3.189 ( 2.227 -10.759 -4.856) 12.013 3.762 ( -1.245 2.147 -12.174) 12.424 4.083 ( 0.226 6.003 1.127) 6.113 4.928 ( -0.459 15.931 9.116) 18.360 6.295 ( -2.297 5.830 -3.336) 7.099 6.616 ( 1.228 -3.948 -3.623) 5.497 6.762 ( -5.348 2.858 -2.472) 6.548 6.893 ( 6.269 -2.003 5.474) 8.560 7.093 ( 2.233 1.834 -2.316) 3.703 7.672 ( 1.278 -2.051 9.053) 9.370 7.900 ( 4.020 1.607 1.196) 4.492 8.264 ( 0.009 15.798 -7.460) 17.471 9.250 ( -8.657 0.251 1.268) 8.753 56.156 ( 0.284 -0.136 0.017) 0.315 56.187 ( 0.059 -0.384 -0.071) 0.395 ======================= Grid point 629 (301/372) ======================= q-point: (-0.43 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 5.501 4.963 12.339) 14.392 2.670 ( 7.351 7.377 -1.302) 10.495 2.927 ( 15.670 10.937 -0.456) 19.115 3.327 ( 1.508 -5.007 -2.003) 5.600 3.683 ( -1.118 0.707 -10.107) 10.193 3.967 ( -2.398 5.796 6.822) 9.268 4.734 ( -1.699 10.577 8.618) 13.749 6.161 ( -4.038 4.158 -7.401) 9.400 6.612 ( -0.900 1.749 1.116) 2.261 6.765 ( -1.743 -6.404 -4.861) 8.227 7.001 ( 4.868 -2.078 1.059) 5.398 7.083 ( 3.240 1.923 -0.959) 3.887 7.753 ( 0.561 0.118 13.038) 13.050 7.882 ( 2.869 4.474 -0.717) 5.363 8.006 ( -1.383 10.496 -6.000) 12.169 9.184 ( -6.963 -2.994 -3.889) 8.519 56.160 ( 0.270 0.021 -0.005) 0.271 56.190 ( -0.159 -0.065 -0.072) 0.186 ======================= Grid point 630 (302/372) ======================= q-point: (-0.36 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 2.146 10.132 8.534) 13.420 2.481 ( 5.628 20.329 -4.373) 21.542 2.881 ( 10.534 12.559 -3.937) 16.858 3.336 ( 0.716 7.230 0.520) 7.284 3.691 ( -2.536 -9.097 -6.544) 11.490 3.944 ( -2.700 -3.621 7.573) 8.818 4.629 ( 1.047 4.045 11.826) 12.543 6.034 ( -6.587 0.968 -11.081) 12.927 6.607 ( 0.258 -0.776 1.896) 2.065 6.820 ( -1.171 -3.371 -3.717) 5.152 7.040 ( 3.829 1.389 -4.996) 6.446 7.111 ( 2.325 -0.868 1.426) 2.862 7.630 ( -5.408 11.052 2.987) 12.662 7.798 ( 0.615 7.288 -3.068) 7.931 8.018 ( 5.441 -5.950 9.675) 12.594 9.179 ( -6.298 -6.821 -8.884) 12.850 56.161 ( 0.264 0.194 -0.027) 0.329 56.185 ( -0.329 0.270 -0.059) 0.429 ======================= Grid point 631 (303/372) ======================= q-point: (-0.29 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -1.475 18.059 0.912) 18.142 2.182 ( 5.181 20.254 -7.027) 22.056 2.673 ( 3.112 19.556 -2.177) 19.922 3.075 ( -5.176 19.713 -4.821) 20.944 3.863 ( -0.030 -10.943 3.260) 11.419 4.067 ( -2.165 -10.884 6.476) 12.849 4.752 ( 8.683 -7.905 15.442) 19.399 5.930 ( -9.339 -3.727 -14.699) 17.809 6.641 ( 1.989 -0.629 2.319) 3.119 6.830 ( -0.898 -0.763 -2.418) 2.690 7.025 ( 3.569 3.033 -6.879) 8.322 7.118 ( -3.226 0.699 0.068) 3.301 7.436 ( -1.771 7.154 3.954) 8.364 7.689 ( -2.232 2.967 -4.354) 5.722 8.253 ( 9.091 -8.493 13.706) 18.511 9.202 ( -7.711 -8.811 -13.376) 17.776 56.159 ( 0.274 0.347 -0.058) 0.446 56.174 ( -0.413 0.544 -0.007) 0.683 ======================= Grid point 632 (304/372) ======================= q-point: (-0.21 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -1.777 19.167 -3.951) 19.651 1.858 ( 1.224 18.375 -14.738) 23.587 2.331 ( -2.108 22.641 6.198) 23.568 2.630 ( -5.899 22.859 -9.135) 25.314 3.999 ( 2.648 -0.170 12.851) 13.122 4.226 ( -0.675 -5.522 3.603) 6.628 5.142 ( 12.456 -19.468 13.370) 26.700 5.885 ( -12.032 -10.989 -16.515) 23.201 6.673 ( 3.948 1.780 3.168) 5.366 6.824 ( -1.238 -0.607 -2.578) 2.923 6.959 ( 0.261 4.785 -2.994) 5.651 7.034 ( -5.389 1.267 -3.797) 6.713 7.414 ( 2.781 -0.240 7.006) 7.542 7.635 ( -2.023 -1.043 -5.952) 6.372 8.562 ( 10.257 -11.246 15.049) 21.405 9.216 ( -9.568 -9.941 -16.570) 21.563 56.155 ( 0.284 0.467 -0.111) 0.558 56.160 ( -0.391 0.704 0.086) 0.810 ======================= Grid point 633 (305/372) ======================= q-point: (-0.14 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -2.317 18.219 3.800) 18.755 1.590 ( -4.905 4.060 -21.528) 22.450 1.969 ( -0.990 22.156 11.879) 25.159 2.201 ( 1.921 22.134 -11.536) 25.034 3.993 ( 4.618 11.542 16.956) 21.025 4.205 ( -1.266 7.042 -3.906) 8.151 5.676 ( 13.755 -22.765 11.294) 28.896 5.934 ( -12.970 -16.379 -14.269) 25.300 6.680 ( 4.757 4.373 3.334) 7.271 6.741 ( -5.685 4.547 -2.858) 7.821 6.950 ( -3.359 -5.389 0.575) 6.376 6.993 ( 1.930 -1.819 -4.380) 5.120 7.492 ( 2.191 -2.150 7.316) 7.934 7.631 ( -0.586 -2.356 -6.985) 7.395 8.918 ( 9.197 -13.390 15.499) 22.452 9.236 ( -9.751 -12.090 -17.150) 23.138 56.145 ( -0.302 0.725 0.226) 0.817 56.149 ( 0.304 0.569 -0.223) 0.683 ======================= Grid point 634 (306/372) ======================= q-point: (-0.07 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 0.772 -4.536 24.722) 25.147 1.438 ( -8.140 0.455 -11.595) 14.174 1.734 ( 7.832 10.420 -2.333) 13.242 1.891 ( 11.567 19.287 -10.558) 24.845 3.837 ( 5.178 19.904 17.064) 26.723 3.958 ( -2.074 17.116 -12.991) 21.588 6.018 ( -11.903 -14.702 -8.905) 20.908 6.192 ( 15.037 -15.273 7.796) 22.807 6.567 ( -7.173 4.093 -1.797) 8.451 6.701 ( 6.769 3.428 1.640) 7.762 7.002 ( -6.641 -8.821 0.730) 11.066 7.124 ( 3.961 -8.384 -0.174) 9.274 7.547 ( -0.972 -0.740 4.727) 4.882 7.652 ( 1.875 -2.329 -6.539) 7.190 9.260 ( 4.732 -12.546 14.128) 19.478 9.319 ( -6.777 -15.356 -14.585) 22.236 56.132 ( -0.146 0.637 0.347) 0.740 56.142 ( 0.297 0.632 -0.346) 0.780 ======================= Grid point 638 (307/372) ======================= q-point: ( 0.21 0.21 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 11.485 0.000 -20.190) 23.228 2.047 ( 5.446 0.000 -22.525) 23.174 2.478 ( 18.311 0.000 11.902) 21.840 2.653 ( 16.976 0.000 -1.885) 17.080 3.280 ( 12.933 0.000 6.882) 14.650 3.493 ( 10.806 0.000 8.519) 13.760 6.097 ( -2.672 -0.000 -1.778) 3.209 6.336 ( 2.428 0.000 -0.414) 2.463 6.720 ( -7.541 -0.000 3.816) 8.452 7.015 ( 3.304 0.000 0.118) 3.306 7.127 ( 1.050 0.000 1.357) 1.715 7.402 ( -1.347 -0.000 -1.946) 2.367 7.617 ( -1.904 -0.000 13.849) 13.979 7.949 ( 4.885 0.000 -5.538) 7.384 9.331 ( -10.024 -0.000 9.611) 13.887 9.468 ( -2.957 -0.000 -16.690) 16.950 56.132 ( 0.378 0.000 0.249) 0.452 56.135 ( 0.559 0.000 -0.290) 0.630 ======================= Grid point 639 (308/372) ======================= q-point: ( 0.29 0.21 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 14.653 6.797 -13.203) 20.863 2.196 ( 5.206 -14.827 -20.482) 25.816 2.662 ( 10.660 1.722 15.501) 18.891 2.836 ( 17.069 2.395 6.052) 18.268 3.434 ( 16.487 -2.741 4.014) 17.189 3.706 ( 10.394 -6.746 -2.642) 12.670 6.020 ( -1.496 6.717 0.461) 6.897 6.350 ( 1.342 0.539 -1.684) 2.220 6.657 ( -6.823 -0.642 4.482) 8.189 7.017 ( 2.219 4.064 0.628) 4.673 7.091 ( 1.482 4.993 -2.214) 5.659 7.404 ( -1.161 -2.631 -2.043) 3.527 7.606 ( -2.390 4.288 13.323) 14.199 7.948 ( 4.516 3.045 -6.033) 8.128 9.287 ( -7.819 -0.778 6.401) 10.135 9.323 ( -4.299 5.680 -10.560) 12.738 56.137 ( 0.392 -0.056 0.107) 0.410 56.143 ( 0.533 -0.395 -0.145) 0.679 ======================= Grid point 640 (309/372) ======================= q-point: ( 0.36 0.21 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 20.259 -3.447 -2.486) 20.700 2.442 ( 3.904 -16.740 -17.521) 24.545 2.717 ( 0.483 5.241 20.781) 21.437 2.986 ( 19.935 4.293 5.882) 21.223 3.687 ( 10.440 -6.388 -0.277) 12.242 3.893 ( 13.894 -4.866 -7.769) 16.645 5.844 ( -1.326 13.970 3.914) 14.569 6.334 ( -1.222 -0.025 -2.955) 3.198 6.657 ( -1.667 -2.916 4.164) 5.350 6.889 ( -0.001 11.418 0.225) 11.420 7.063 ( 4.067 1.300 -3.696) 5.647 7.393 ( -2.662 5.010 0.368) 5.685 7.549 ( -1.098 1.260 7.549) 7.732 7.930 ( 4.567 2.549 -2.859) 5.960 9.076 ( -1.187 12.830 -12.686) 18.082 9.282 ( -10.829 -3.256 10.335) 15.319 56.143 ( 0.371 -0.168 0.055) 0.410 56.156 ( 0.450 -0.568 -0.093) 0.731 ======================= Grid point 641 (310/372) ======================= q-point: ( 0.43 0.21 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 21.389 -5.749 2.601) 22.301 2.663 ( -3.496 1.881 14.313) 14.854 2.707 ( 2.782 -13.413 -10.385) 17.190 3.138 ( 18.573 4.157 6.845) 20.226 3.794 ( 4.687 -0.557 -8.006) 9.294 4.107 ( 13.710 -3.107 -1.949) 14.192 5.573 ( -0.832 19.443 7.632) 20.904 6.330 ( -1.900 -2.939 -3.049) 4.641 6.664 ( -2.525 6.830 -0.434) 7.295 6.755 ( 2.451 0.294 0.078) 2.470 7.074 ( 5.511 3.813 -0.496) 6.719 7.210 ( -2.947 9.451 -0.353) 9.906 7.594 ( 0.149 -2.792 5.954) 6.577 7.942 ( 4.487 1.239 -0.199) 4.659 8.802 ( 0.279 15.368 -10.300) 18.502 9.233 ( -12.505 -1.764 7.062) 14.469 56.150 ( 0.356 -0.219 0.033) 0.420 56.169 ( 0.289 -0.591 -0.078) 0.663 ======================= Grid point 642 (311/372) ======================= q-point: ( 0.50 0.21 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 10.744 3.527 11.529) 16.148 2.661 ( 5.085 -1.905 5.128) 7.468 2.949 ( 1.658 -15.620 -11.691) 19.581 3.258 ( 14.288 5.314 6.909) 16.736 3.792 ( 6.080 3.601 -8.388) 10.967 4.194 ( 5.421 4.959 0.505) 7.365 5.271 ( 0.517 20.410 11.622) 23.493 6.337 ( -2.548 1.143 -3.527) 4.498 6.537 ( -1.064 1.115 -3.885) 4.179 6.740 ( -4.921 2.216 -5.995) 8.067 7.027 ( 6.077 5.654 8.028) 11.548 7.146 ( 4.256 1.614 -2.756) 5.322 7.667 ( 0.344 -3.074 9.086) 9.598 7.968 ( 3.692 1.257 0.202) 3.905 8.519 ( 1.604 16.594 -8.899) 18.898 9.135 ( -13.153 -0.971 2.320) 13.391 56.157 ( 0.347 -0.190 0.029) 0.397 56.180 ( 0.078 -0.469 -0.089) 0.484 ======================= Grid point 643 (312/372) ======================= q-point: ( 0.57 0.21 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 2.475 4.935 16.880) 17.760 2.793 ( 11.587 0.305 -5.121) 12.672 3.167 ( 1.572 -12.885 -7.767) 15.127 3.278 ( 8.213 8.368 3.463) 12.226 3.750 ( 8.252 8.136 -7.562) 13.838 4.079 ( -2.480 10.007 3.591) 10.917 5.012 ( 1.765 17.628 14.866) 23.127 6.188 ( -4.838 7.644 -9.151) 12.868 6.590 ( -0.785 -6.528 -3.821) 7.604 6.624 ( -5.137 0.338 -3.698) 6.339 7.066 ( 5.525 1.694 4.901) 7.577 7.156 ( 4.929 2.412 -1.458) 5.678 7.762 ( -0.246 -2.831 13.791) 14.081 7.965 ( 2.520 2.533 -0.294) 3.585 8.241 ( 3.536 16.828 -7.874) 18.913 9.030 ( -11.945 -2.614 -3.166) 12.631 56.163 ( 0.338 -0.081 0.032) 0.349 56.185 ( -0.134 -0.237 -0.112) 0.295 ======================= Grid point 644 (313/372) ======================= q-point: (-0.36 0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 2.302 7.206 15.184) 16.964 2.781 ( 6.578 11.254 -7.930) 15.258 3.227 ( 10.482 9.511 2.162) 14.318 3.353 ( 3.150 -8.983 -2.867) 9.941 3.620 ( 1.198 9.513 -7.519) 12.185 3.896 ( -8.083 6.300 1.773) 10.401 4.857 ( 6.020 11.749 19.268) 23.357 5.972 ( -7.855 5.515 -14.578) 17.454 6.586 ( -1.162 -1.584 0.165) 1.971 6.691 ( -2.270 -7.351 -4.673) 9.002 7.092 ( 3.196 1.726 0.798) 3.719 7.157 ( 3.238 2.353 -0.580) 4.045 7.738 ( -5.132 7.365 9.058) 12.753 7.937 ( -1.681 7.784 -4.796) 9.297 8.096 ( 13.120 2.703 6.161) 14.745 8.964 ( -10.400 -5.583 -8.554) 14.578 56.167 ( 0.334 0.079 0.035) 0.345 56.184 ( -0.299 0.048 -0.124) 0.327 ======================= Grid point 645 (314/372) ======================= q-point: (-0.29 0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -0.355 15.914 10.259) 18.937 2.542 ( 4.459 19.444 -9.031) 21.898 3.089 ( 8.542 22.278 2.806) 24.023 3.345 ( -0.324 18.454 -3.984) 18.882 3.627 ( 0.730 -16.315 -0.841) 16.353 3.807 ( -10.180 -11.148 -1.855) 15.211 4.905 ( 12.294 2.864 23.529) 26.702 5.763 ( -10.033 1.872 -19.331) 21.860 6.631 ( 1.216 -3.002 1.791) 3.701 6.748 ( -2.984 -4.665 -3.950) 6.802 7.081 ( -0.263 2.273 0.764) 2.412 7.133 ( 1.680 2.880 -3.093) 4.548 7.571 ( -2.021 9.125 6.217) 11.226 7.746 ( -1.724 8.862 -5.829) 10.746 8.308 ( 13.073 -4.865 13.688) 19.543 8.931 ( -10.592 -7.468 -13.112) 18.436 56.167 ( 0.341 0.251 0.031) 0.424 56.177 ( -0.380 0.319 -0.104) 0.507 ======================= Grid point 646 (315/372) ======================= q-point: (-0.21 0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -1.102 21.591 5.834) 22.393 2.196 ( 1.913 23.746 -12.088) 26.715 2.746 ( -0.895 25.458 8.523) 26.862 2.937 ( -0.649 23.069 -9.797) 25.072 3.934 ( 3.300 -13.838 5.212) 15.150 3.992 ( -4.142 -18.113 -0.385) 18.584 5.142 ( 13.341 -5.964 22.584) 26.900 5.591 ( -10.230 -2.802 -22.703) 25.059 6.705 ( 2.560 -2.332 2.873) 4.500 6.763 ( -3.202 -2.734 -2.835) 5.076 6.989 ( -7.045 4.900 3.866) 9.412 7.095 ( 5.287 4.274 -6.652) 9.511 7.485 ( 1.237 3.418 6.230) 7.213 7.603 ( -1.469 3.604 -5.805) 6.988 8.586 ( 12.508 -7.081 15.681) 21.271 8.898 ( -11.655 -8.582 -16.366) 21.848 56.165 ( 0.003 0.453 0.049) 0.456 56.167 ( -0.012 0.471 -0.087) 0.479 ======================= Grid point 647 (316/372) ======================= q-point: (-0.14 0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -0.869 22.350 3.727) 22.675 1.740 ( -2.967 23.049 -10.284) 25.413 2.356 ( -2.241 21.853 8.271) 23.473 2.580 ( 7.967 21.948 -7.399) 24.494 4.140 ( 0.791 -5.515 6.557) 8.604 4.184 ( 0.626 -5.104 -1.205) 5.282 5.436 ( -8.863 -15.024 -5.261) 18.219 5.610 ( 11.375 -12.636 1.264) 17.049 6.733 ( -4.198 1.830 -2.298) 5.124 6.768 ( 1.324 0.198 2.781) 3.087 6.861 ( -5.285 1.184 4.494) 7.038 7.062 ( 6.313 4.003 -4.616) 8.785 7.497 ( -0.506 -1.350 3.500) 3.785 7.568 ( 1.196 -1.174 -4.127) 4.454 8.877 ( -10.639 -10.948 -15.955) 22.082 8.893 ( 9.873 -9.048 15.094) 20.179 56.153 ( -0.290 0.600 0.088) 0.672 56.162 ( 0.389 0.555 -0.095) 0.685 ======================= Grid point 648 (317/372) ======================= q-point: (-0.07 0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -0.302 10.487 13.316) 16.952 1.435 ( 0.610 11.529 -4.947) 12.560 2.067 ( 5.083 17.319 3.614) 18.408 2.331 ( 13.977 19.952 -4.336) 24.744 4.112 ( -1.768 7.947 -10.738) 13.476 4.167 ( 2.934 9.755 7.893) 12.886 5.560 ( -11.781 -20.477 -12.471) 26.714 6.080 ( 14.900 -19.798 10.288) 26.830 6.579 ( -6.404 6.491 -1.403) 9.226 6.787 ( -0.653 -1.145 3.956) 4.169 6.859 ( -0.580 -0.985 -0.092) 1.146 7.097 ( 5.803 -1.661 1.268) 6.168 7.519 ( -1.666 -2.051 -1.663) 3.122 7.612 ( 1.882 -2.423 -1.579) 3.451 8.929 ( -8.539 -15.178 -15.669) 23.427 9.194 ( 6.668 -9.543 16.163) 19.919 56.142 ( -0.143 0.580 0.199) 0.630 56.155 ( 0.393 0.679 -0.201) 0.810 ======================= Grid point 653 (318/372) ======================= q-point: ( 0.29 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 14.148 0.000 -10.444) 17.585 2.000 ( 6.314 0.000 -19.939) 20.915 2.802 ( 2.342 0.000 18.593) 18.740 3.053 ( 17.119 0.000 5.836) 18.087 3.571 ( 13.106 0.000 3.437) 13.549 3.807 ( 18.818 0.000 -5.069) 19.489 6.067 ( 0.081 0.000 -0.454) 0.461 6.371 ( 1.583 0.000 -1.453) 2.149 6.595 ( -6.091 -0.000 6.298) 8.761 7.065 ( 3.158 0.000 -2.484) 4.018 7.171 ( 1.939 0.000 0.360) 1.972 7.334 ( -2.946 -0.000 -4.131) 5.074 7.665 ( -2.990 -0.000 15.108) 15.401 7.979 ( 2.318 0.000 -9.389) 9.671 9.208 ( -9.514 -0.000 12.292) 15.544 9.301 ( -2.960 -0.000 -15.138) 15.425 56.141 ( 0.394 0.000 0.128) 0.415 56.145 ( 0.525 0.000 -0.158) 0.548 ======================= Grid point 654 (319/372) ======================= q-point: ( 0.36 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 16.020 -2.274 -5.985) 17.252 2.199 ( 8.573 -11.168 -13.395) 19.434 2.828 ( -4.518 2.819 18.899) 19.635 3.214 ( 12.516 0.878 4.929) 13.481 3.744 ( 13.623 -1.660 2.329) 13.920 4.004 ( 20.355 -1.953 -6.836) 21.561 6.017 ( 0.441 6.582 0.781) 6.643 6.345 ( -0.437 3.119 -1.412) 3.452 6.603 ( -1.438 -3.124 5.850) 6.786 7.066 ( 1.097 8.687 0.431) 8.767 7.105 ( 3.730 1.346 -5.090) 6.452 7.361 ( -1.375 -4.552 -2.184) 5.232 7.627 ( -4.031 5.457 12.357) 14.097 7.963 ( 1.445 -0.184 -8.462) 8.587 9.162 ( -10.544 -1.431 11.148) 15.411 9.173 ( -2.439 6.040 -12.682) 14.258 56.145 ( 0.390 -0.021 0.043) 0.393 56.153 ( 0.426 -0.364 -0.071) 0.565 ======================= Grid point 655 (320/372) ======================= q-point: ( 0.43 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 17.306 -9.336 -1.878) 19.753 2.437 ( 8.269 -12.209 -9.858) 17.737 2.756 ( -7.785 4.530 16.013) 18.372 3.325 ( 7.836 -0.101 3.931) 8.767 3.878 ( 12.776 1.919 -1.050) 12.962 4.231 ( 17.863 -2.021 -2.417) 18.139 5.866 ( 0.591 13.397 4.499) 14.145 6.287 ( -1.318 1.320 -1.607) 2.462 6.662 ( -0.590 -1.860 1.943) 2.754 6.887 ( 0.210 10.666 -1.534) 10.777 7.155 ( 7.104 -0.201 -2.906) 7.678 7.330 ( -3.032 6.746 -0.116) 7.397 7.571 ( -1.822 -1.032 7.819) 8.095 7.970 ( 1.690 -1.258 -4.697) 5.148 8.980 ( -0.170 10.626 -11.648) 15.768 9.098 ( -13.382 -1.092 9.710) 16.570 56.151 ( 0.372 -0.144 0.021) 0.399 56.163 ( 0.271 -0.481 -0.055) 0.554 ======================= Grid point 656 (321/372) ======================= q-point: ( 0.50 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 2.384 -3.725 5.170) 6.803 2.685 ( -1.061 -4.520 0.198) 4.647 2.710 ( 14.241 -9.124 -2.454) 17.090 3.393 ( 1.985 -0.047 2.778) 3.414 3.955 ( 13.672 4.532 -0.147) 14.404 4.361 ( 10.410 4.504 -0.752) 11.368 5.640 ( 1.737 17.999 10.183) 20.753 6.272 ( -2.034 -1.955 -2.843) 4.005 6.604 ( -2.468 6.149 -1.817) 6.870 6.736 ( -2.415 6.595 -6.543) 9.599 7.193 ( 1.064 5.852 3.567) 6.936 7.220 ( 7.575 1.544 -0.349) 7.739 7.636 ( -0.334 -4.162 8.298) 9.290 8.002 ( 2.462 -1.193 -3.150) 4.173 8.755 ( 1.934 13.546 -10.175) 17.052 8.985 ( -15.189 -0.227 5.745) 16.241 56.157 ( 0.358 -0.207 0.030) 0.415 56.173 ( 0.072 -0.462 -0.077) 0.474 ======================= Grid point 657 (322/372) ======================= q-point: ( 0.57 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -4.066 1.458 15.917) 16.492 2.858 ( 5.010 -9.247 -11.155) 15.331 2.972 ( 13.043 -6.649 -3.757) 15.115 3.372 ( -3.699 2.073 0.782) 4.312 4.008 ( 13.485 7.137 1.009) 15.290 4.279 ( 2.266 12.997 0.204) 13.195 5.401 ( 3.686 19.272 15.970) 25.299 6.218 ( -5.769 4.973 -9.184) 11.932 6.498 ( -0.569 0.680 -2.600) 2.747 6.586 ( -4.698 2.425 -6.042) 8.029 7.174 ( 3.586 3.069 5.316) 7.109 7.250 ( 5.393 2.818 -1.023) 6.170 7.751 ( 1.428 -4.678 11.925) 12.889 8.022 ( 2.404 1.217 -2.150) 3.447 8.521 ( 4.753 14.981 -8.704) 17.966 8.846 ( -15.316 -1.270 0.217) 15.370 56.164 ( 0.346 -0.180 0.052) 0.393 56.179 ( -0.127 -0.331 -0.114) 0.373 ======================= Grid point 658 (323/372) ======================= q-point: (-0.36 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -0.458 0.686 17.534) 17.554 2.943 ( 5.485 1.900 -12.295) 13.597 3.187 ( 6.371 -9.712 -4.548) 12.474 3.287 ( -5.475 0.363 0.012) 5.487 3.958 ( 11.242 15.839 -3.861) 19.804 4.017 ( -5.823 16.320 4.215) 17.833 5.224 ( 7.649 15.746 20.943) 27.295 5.956 ( -9.208 9.555 -16.955) 21.530 6.535 ( -1.530 -3.179 -1.662) 3.900 6.549 ( -1.061 -4.716 -2.386) 5.390 7.164 ( 0.780 3.156 4.633) 5.660 7.237 ( 3.711 3.493 -2.848) 5.838 7.832 ( -0.934 2.924 12.201) 12.582 7.999 ( 1.073 3.134 -1.895) 3.816 8.352 ( 11.001 10.510 -2.210) 15.374 8.731 ( -13.708 -4.332 -6.504) 15.779 56.170 ( 0.336 -0.071 0.078) 0.352 56.180 ( -0.276 -0.125 -0.145) 0.336 ======================= Grid point 659 (324/372) ======================= q-point: (-0.29 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -0.854 9.316 14.233) 17.033 2.818 ( 3.277 12.767 -12.143) 17.922 3.320 ( -2.277 -8.389 3.866) 9.513 3.406 ( 2.806 -11.628 -4.204) 12.679 3.654 ( -8.516 17.791 2.112) 19.837 3.717 ( 5.289 20.915 -4.304) 21.999 5.203 ( 11.429 8.401 24.273) 28.113 5.657 ( -9.824 6.392 -22.040) 24.963 6.587 ( 0.872 -4.180 0.994) 4.385 6.622 ( -1.826 -5.665 -2.706) 6.538 7.113 ( -3.402 3.319 4.399) 6.476 7.203 ( 3.374 3.345 -4.400) 6.476 7.728 ( -2.020 9.693 9.551) 13.757 7.880 ( 0.302 9.624 -6.060) 11.377 8.439 ( 14.147 -1.105 9.830) 17.263 8.657 ( -12.273 -6.376 -12.226) 18.460 56.174 ( 0.283 0.087 0.108) 0.315 56.176 ( -0.293 0.105 -0.160) 0.350 ======================= Grid point 660 (325/372) ======================= q-point: (-0.21 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -3.094 17.653 9.272) 20.178 2.548 ( 3.140 19.983 -12.170) 23.607 3.116 ( -11.351 23.875 3.004) 26.606 3.312 ( 2.911 20.429 -2.796) 20.824 3.617 ( -5.686 -19.047 -0.001) 19.878 3.759 ( 10.104 -12.962 2.566) 16.634 5.257 ( -3.470 2.682 7.727) 8.885 5.474 ( 5.704 1.445 -9.536) 11.206 6.670 ( -1.968 -3.722 -2.119) 4.713 6.683 ( 2.170 -4.497 2.587) 5.624 7.015 ( -5.910 4.601 4.549) 8.763 7.175 ( 3.051 2.267 -4.643) 6.001 7.586 ( -1.730 7.954 6.496) 10.415 7.713 ( 2.713 9.386 -4.320) 10.683 8.592 ( -11.414 -7.172 -14.035) 19.460 8.674 ( 12.062 -4.549 11.860) 17.517 56.169 ( -0.351 0.312 -0.084) 0.477 56.175 ( 0.371 0.254 0.063) 0.454 ======================= Grid point 661 (326/372) ======================= q-point: (-0.14 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -1.808 20.338 7.368) 21.707 2.118 ( -1.493 28.370 -10.422) 30.260 2.663 ( -6.434 18.853 2.278) 20.051 3.012 ( 7.210 21.247 0.078) 22.437 3.892 ( -3.141 -18.318 0.315) 18.588 4.088 ( 6.417 -13.068 2.432) 14.761 5.119 ( -13.088 -3.730 -17.495) 22.165 5.646 ( 14.944 -4.739 11.747) 19.590 6.686 ( -2.226 -1.435 -2.090) 3.374 6.778 ( 2.059 -2.239 2.765) 4.111 6.884 ( -5.600 5.009 6.405) 9.873 7.158 ( 2.986 2.059 -3.839) 5.282 7.490 ( -0.552 3.280 0.051) 3.326 7.623 ( 3.064 4.616 0.921) 5.616 8.549 ( -10.657 -8.549 -16.516) 21.434 8.927 ( 10.139 -6.477 14.679) 18.979 56.159 ( -0.272 0.439 -0.021) 0.517 56.174 ( 0.403 0.432 0.029) 0.592 ======================= Grid point 662 (327/372) ======================= q-point: (-0.07 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -0.332 21.337 5.104) 21.942 1.727 ( 2.431 18.986 3.563) 19.469 2.381 ( 2.746 14.761 1.384) 15.078 2.778 ( 10.990 19.052 0.902) 22.013 4.082 ( -1.340 -6.566 -5.529) 8.688 4.262 ( 1.056 -1.766 -0.257) 2.074 5.092 ( -9.992 -15.768 -14.572) 23.681 5.976 ( 12.740 -13.295 11.144) 21.523 6.619 ( -4.672 5.084 -1.924) 7.167 6.761 ( -1.669 1.399 3.527) 4.145 6.875 ( 0.873 -1.065 3.792) 4.034 7.153 ( 2.862 0.751 -0.222) 2.967 7.469 ( 1.521 -0.574 -4.057) 4.370 7.614 ( 1.193 0.536 2.565) 2.879 8.570 ( -7.330 -12.283 -14.720) 20.525 9.178 ( 6.450 -7.407 15.039) 17.962 56.149 ( -0.132 0.474 0.070) 0.497 56.170 ( 0.419 0.609 -0.057) 0.741 ======================= Grid point 668 (328/372) ======================= q-point: ( 0.36 0.36 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 12.224 0.000 -11.047) 16.476 2.240 ( 15.469 0.000 -0.455) 15.475 2.841 ( -8.983 -0.000 18.127) 20.231 3.312 ( 5.021 0.000 0.290) 5.029 3.917 ( 17.200 0.000 7.082) 18.601 4.169 ( 20.035 0.000 -9.037) 21.979 6.073 ( 0.473 0.000 -0.924) 1.038 6.375 ( 0.017 0.000 -3.198) 3.198 6.595 ( 1.193 0.000 10.157) 10.227 7.140 ( 6.565 0.000 -4.566) 7.996 7.201 ( 0.812 0.000 0.208) 0.838 7.246 ( -2.682 -0.000 -3.522) 4.427 7.675 ( -5.850 -0.000 14.506) 15.642 7.916 ( -1.042 -0.000 -13.770) 13.810 9.079 ( -11.270 -0.000 13.152) 17.321 9.161 ( -1.299 -0.000 -13.277) 13.340 56.149 ( 0.349 0.000 0.048) 0.353 56.153 ( 0.370 0.000 -0.069) 0.376 ======================= Grid point 669 (329/372) ======================= q-point: ( 0.43 0.36 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 12.386 -6.285 -8.632) 16.353 2.453 ( 16.256 -5.836 3.426) 17.608 2.767 ( -11.135 2.674 15.248) 19.069 3.346 ( 0.237 -1.710 -2.193) 2.791 4.086 ( 15.425 3.217 6.471) 17.034 4.362 ( 17.319 -2.444 -6.000) 18.492 6.030 ( 0.269 5.301 0.380) 5.321 6.323 ( -0.943 3.514 -2.524) 4.428 6.664 ( 2.891 -0.225 7.823) 8.343 7.049 ( -0.925 9.966 -2.087) 10.224 7.211 ( 7.754 -0.781 -3.708) 8.630 7.326 ( -0.350 -4.049 -1.243) 4.250 7.593 ( -6.267 4.649 9.524) 12.312 7.897 ( -1.884 -4.349 -10.191) 11.239 8.999 ( -12.283 0.649 12.642) 17.638 9.071 ( 0.537 5.127 -12.262) 13.301 56.153 ( 0.326 -0.032 0.017) 0.328 56.159 ( 0.226 -0.301 -0.039) 0.379 ======================= Grid point 670 (330/372) ======================= q-point: ( 0.50 0.36 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 7.509 -8.142 -6.823) 13.009 2.647 ( -10.257 2.218 10.502) 14.846 2.770 ( 17.969 -8.309 3.343) 20.077 3.359 ( -3.782 -2.490 -1.936) 4.925 4.182 ( 12.480 4.692 6.308) 14.749 4.512 ( 10.695 1.191 -4.662) 11.727 5.921 ( 1.619 10.046 5.770) 11.698 6.251 ( -1.709 2.309 -2.379) 3.729 6.656 ( -0.462 5.028 1.355) 5.228 6.865 ( -1.011 11.234 -4.120) 12.008 7.265 ( 2.503 1.438 -1.114) 3.094 7.325 ( 3.707 2.450 1.295) 4.628 7.580 ( -1.204 -4.592 7.517) 8.891 7.937 ( -0.890 -5.695 -8.005) 9.864 8.879 ( -13.100 2.801 10.748) 17.175 8.932 ( 2.559 8.946 -11.091) 14.477 56.158 ( 0.308 -0.167 0.028) 0.352 56.166 ( 0.041 -0.376 -0.058) 0.382 ======================= Grid point 671 (331/372) ======================= q-point: ( 0.57 0.36 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -7.426 -1.247 12.065) 14.222 2.669 ( 3.680 -9.386 -8.723) 13.332 3.068 ( 16.515 -4.800 -0.618) 17.210 3.323 ( -7.578 -0.669 -1.382) 7.732 4.229 ( 6.921 5.372 8.552) 12.243 4.489 ( 4.491 8.415 -6.834) 11.734 5.781 ( 4.580 14.732 13.490) 20.494 6.186 ( -4.321 1.934 -5.833) 7.513 6.548 ( -1.695 5.126 -1.340) 5.563 6.623 ( -2.626 11.334 -7.299) 13.734 7.260 ( 0.981 2.073 5.575) 6.028 7.335 ( 3.597 2.053 -1.812) 4.520 7.715 ( 2.939 -6.465 9.304) 11.705 8.002 ( 0.842 -4.852 -7.832) 9.251 8.714 ( -13.154 4.371 7.757) 15.884 8.768 ( 4.824 11.159 -9.756) 15.588 56.164 ( 0.290 -0.236 0.058) 0.378 56.171 ( -0.141 -0.345 -0.098) 0.386 ======================= Grid point 672 (332/372) ======================= q-point: (-0.36 -0.64 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -4.050 -5.032 15.498) 16.790 2.825 ( 1.414 -9.136 -10.700) 14.140 3.213 ( -8.811 1.544 -0.704) 8.972 3.250 ( 11.517 0.133 -4.520) 12.373 4.155 ( -5.700 9.926 9.384) 14.801 4.328 ( 6.391 13.623 -8.132) 17.105 5.639 ( 8.079 16.273 19.347) 26.540 5.981 ( -8.575 10.805 -15.170) 20.504 6.483 ( 0.276 0.106 -0.886) 0.934 6.498 ( -1.254 0.160 -2.674) 2.958 7.225 ( -2.988 3.176 5.727) 7.198 7.320 ( 3.470 3.241 -3.770) 6.063 7.871 ( 2.378 -3.497 10.256) 11.093 8.041 ( 1.932 -0.498 -6.190) 6.504 8.534 ( -13.683 2.228 2.696) 14.123 8.631 ( 9.850 10.348 -6.414) 15.660 56.171 ( 0.245 -0.211 0.102) 0.339 56.174 ( -0.249 -0.238 -0.141) 0.372 ======================= Grid point 673 (333/372) ======================= q-point: (-0.29 -0.64 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( -2.092 -0.833 15.907) 16.066 2.887 ( -0.656 -1.087 -13.756) 13.814 3.116 ( -9.707 -6.108 2.287) 11.694 3.334 ( 7.875 -0.359 -4.978) 9.323 3.857 ( -12.052 16.983 5.610) 21.567 4.119 ( 6.276 17.588 -5.076) 19.352 5.545 ( 3.256 14.164 12.890) 19.426 5.657 ( -1.462 10.030 -11.149) 15.068 6.524 ( 0.435 -4.199 0.127) 4.224 6.528 ( 0.456 -3.914 -0.830) 4.027 7.145 ( -4.710 3.592 4.488) 7.432 7.272 ( 1.085 3.783 -4.271) 5.808 7.893 ( 0.295 6.344 8.507) 10.616 8.001 ( 1.610 5.805 -3.770) 7.107 8.396 ( -13.345 -3.400 -7.241) 15.560 8.635 ( 14.418 3.564 2.956) 15.143 56.172 ( -0.340 -0.070 -0.125) 0.369 56.177 ( 0.267 -0.119 0.102) 0.310 ======================= Grid point 674 (334/372) ======================= q-point: (-0.21 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -6.747 11.340 7.697) 15.276 2.781 ( 1.402 8.293 -11.374) 14.145 3.263 ( -4.859 -11.230 4.977) 13.210 3.299 ( -12.252 8.294 -4.251) 15.394 3.509 ( -1.236 7.493 3.706) 8.450 3.914 ( 9.964 12.584 -0.568) 16.061 5.238 ( -10.612 10.394 -16.540) 22.231 5.662 ( 12.797 4.847 14.440) 19.894 6.595 ( 0.624 -3.603 -0.918) 3.770 6.626 ( 1.790 -5.987 2.139) 6.605 7.045 ( -5.113 4.168 4.115) 7.775 7.204 ( -1.321 2.190 -4.042) 4.783 7.767 ( 0.639 11.440 7.507) 13.698 7.881 ( 1.561 8.781 -2.150) 9.174 8.316 ( -11.033 -6.165 -14.506) 19.240 8.789 ( 12.908 -1.461 9.174) 15.903 56.168 ( -0.333 0.109 -0.126) 0.373 56.182 ( 0.290 0.024 0.133) 0.320 ======================= Grid point 675 (335/372) ======================= q-point: (-0.14 0.36 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -6.103 14.229 4.680) 16.174 2.521 ( 1.018 23.844 -10.979) 26.270 2.844 ( -12.735 14.671 0.845) 19.445 3.331 ( -0.543 9.170 0.852) 9.225 3.583 ( -0.254 -14.681 4.464) 15.347 3.993 ( 9.430 -6.623 1.095) 11.575 4.945 ( -10.147 4.690 -18.413) 21.540 5.794 ( 12.003 0.316 12.834) 17.575 6.642 ( 0.177 -1.769 -1.630) 2.412 6.751 ( 2.271 -4.998 3.237) 6.373 6.934 ( -4.752 4.895 5.486) 8.754 7.158 ( -2.158 -0.243 -3.407) 4.040 7.618 ( 1.876 9.794 3.859) 10.693 7.756 ( 1.411 7.594 0.490) 7.740 8.275 ( -7.865 -6.913 -15.633) 18.816 8.982 ( 9.366 -3.864 11.145) 15.062 56.162 ( -0.254 0.254 -0.088) 0.369 56.183 ( 0.324 0.202 0.119) 0.399 ======================= Grid point 676 (336/372) ======================= q-point: (-0.07 0.36 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -3.402 19.796 3.980) 20.476 2.051 ( 1.108 20.504 -1.574) 20.594 2.603 ( -0.251 10.035 0.847) 10.074 3.151 ( 5.183 14.562 2.006) 15.587 3.859 ( -1.055 -16.608 1.815) 16.740 4.177 ( 1.226 -6.741 -5.519) 8.798 4.795 ( -5.927 -4.478 -13.341) 15.270 5.983 ( 10.265 -5.187 10.004) 15.243 6.628 ( -2.538 1.785 -2.143) 3.771 6.818 ( 1.079 3.021 2.022) 3.792 6.862 ( -1.523 -1.136 6.492) 6.764 7.141 ( -2.144 -1.434 -2.301) 3.457 7.533 ( 3.915 4.541 -0.192) 5.999 7.674 ( 1.022 4.516 2.890) 5.458 8.289 ( -4.629 -8.920 -13.137) 16.540 9.175 ( 5.417 -5.640 11.640) 14.023 56.155 ( -0.120 0.331 -0.021) 0.352 56.182 ( 0.351 0.407 0.056) 0.541 ======================= Grid point 683 (337/372) ======================= q-point: ( 0.43 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 16.352 0.000 -5.629) 17.293 2.565 ( 12.711 0.000 7.337) 14.677 2.717 ( -11.740 -0.000 13.327) 17.761 3.291 ( -4.126 -0.000 -6.681) 7.853 4.289 ( 11.294 0.000 10.245) 15.249 4.482 ( 15.157 0.000 -7.962) 17.121 6.068 ( -0.339 -0.000 -0.123) 0.360 6.318 ( -2.754 -0.000 -6.250) 6.830 6.759 ( 6.517 0.000 12.914) 14.466 7.148 ( -1.979 -0.000 -3.889) 4.364 7.211 ( -0.159 -0.000 1.181) 1.191 7.314 ( 10.424 0.000 -4.307) 11.279 7.605 ( -9.277 -0.000 11.836) 15.039 7.764 ( -3.821 -0.000 -16.154) 16.599 8.934 ( -10.730 -0.000 13.755) 17.445 9.086 ( 2.241 0.000 -12.093) 12.299 56.156 ( 0.241 0.000 0.010) 0.241 56.158 ( 0.154 0.000 -0.027) 0.156 ======================= Grid point 684 (338/372) ======================= q-point: ( 0.50 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 12.636 0.409 -3.068) 13.010 2.594 ( -12.024 1.273 9.927) 15.644 2.816 ( 14.622 -7.796 5.813) 17.561 3.235 ( -7.520 -3.224 -6.983) 10.757 4.376 ( 5.871 3.329 9.819) 11.915 4.595 ( 8.920 -0.186 -7.721) 11.799 6.044 ( 0.617 2.994 2.859) 4.185 6.249 ( -3.333 1.478 -6.222) 7.212 6.807 ( 4.611 7.562 9.254) 12.809 7.015 ( -1.028 9.136 -2.469) 9.519 7.269 ( -0.067 -2.912 1.240) 3.165 7.390 ( 3.007 2.304 -3.541) 5.185 7.531 ( -1.003 -2.242 6.098) 6.574 7.761 ( -3.917 -7.919 -10.893) 14.026 8.853 ( -9.585 2.886 13.603) 16.890 9.043 ( 4.455 4.571 -11.768) 13.388 56.158 ( 0.196 -0.089 0.018) 0.216 56.161 ( 0.003 -0.215 -0.038) 0.218 ======================= Grid point 685 (339/372) ======================= q-point: (-0.43 -0.57 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( -11.391 -0.332 10.368) 15.406 2.613 ( 9.208 -2.042 -5.057) 10.702 3.120 ( 13.017 -7.947 1.704) 15.346 3.186 ( -9.377 -3.855 -5.176) 11.383 4.371 ( -2.010 4.435 11.221) 12.232 4.593 ( 2.923 3.714 -10.685) 11.684 6.020 ( 3.635 4.927 8.409) 10.402 6.164 ( -3.932 2.318 -5.905) 7.464 6.682 ( 1.047 11.825 4.490) 12.692 6.795 ( -1.743 13.879 -6.351) 15.362 7.287 ( -3.404 0.430 5.925) 6.847 7.368 ( 1.101 -0.569 -1.660) 2.071 7.671 ( 4.676 -6.702 5.198) 9.685 7.841 ( -1.087 -8.925 -10.907) 14.135 8.727 ( -8.602 6.455 12.901) 16.796 8.960 ( 7.195 8.007 -10.971) 15.370 56.163 ( 0.166 -0.235 0.051) 0.292 56.164 ( -0.161 -0.273 -0.075) 0.326 ======================= Grid point 686 (340/372) ======================= q-point: (-0.36 -0.57 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -8.234 -6.743 12.556) 16.460 2.722 ( 5.813 -3.558 -5.815) 8.959 3.090 ( -13.401 -1.557 -3.012) 13.823 3.346 ( 11.646 -2.861 -3.888) 12.607 4.237 ( -12.023 7.363 8.862) 16.652 4.500 ( 1.783 6.217 -9.086) 11.153 5.995 ( 6.008 9.164 12.717) 16.787 6.021 ( -5.137 7.910 -8.922) 12.983 6.532 ( 0.281 7.290 1.622) 7.473 6.563 ( 0.191 9.069 -3.363) 9.675 7.236 ( -5.859 1.646 5.004) 7.879 7.374 ( 0.787 1.373 -2.757) 3.179 7.841 ( 1.774 -6.932 5.799) 9.210 7.941 ( 1.355 -7.118 -11.230) 13.364 8.553 ( -7.674 9.504 11.684) 16.904 8.877 ( 11.013 8.898 -8.120) 16.322 56.166 ( -0.289 -0.260 -0.100) 0.401 56.170 ( 0.141 -0.313 0.079) 0.352 ======================= Grid point 687 (341/372) ======================= q-point: (-0.29 -0.57 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -4.037 -10.508 15.748) 19.358 2.797 ( 1.998 -3.011 -8.301) 9.054 2.946 ( -14.870 -0.851 -0.994) 14.927 3.434 ( 8.113 2.053 -6.243) 10.441 3.961 ( -16.153 11.027 5.452) 20.304 4.354 ( -0.072 9.802 -6.637) 11.838 5.712 ( -6.848 15.413 -15.366) 22.816 5.955 ( 9.538 11.588 17.517) 23.067 6.476 ( 0.054 -0.475 -0.423) 0.638 6.512 ( 2.505 0.081 1.397) 2.869 7.156 ( -5.647 2.521 3.969) 7.348 7.311 ( -2.675 3.427 -4.197) 6.043 7.945 ( -1.048 -3.365 2.829) 4.519 8.010 ( 1.675 -3.454 -11.091) 11.736 8.340 ( -7.322 11.124 9.006) 16.077 8.868 ( 14.534 5.978 -1.792) 15.818 56.166 ( -0.344 -0.193 -0.124) 0.413 56.176 ( 0.122 -0.303 0.120) 0.348 ======================= Grid point 688 (342/372) ======================= q-point: (-0.21 -0.57 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -11.212 4.755 4.886) 13.122 2.784 ( -1.437 -0.584 -7.308) 7.471 2.992 ( -4.146 -15.603 8.462) 18.228 3.385 ( -2.108 9.588 -8.235) 12.814 3.625 ( -10.641 10.344 5.399) 15.792 4.164 ( 1.403 10.508 -4.605) 11.558 5.321 ( -6.504 16.720 -16.288) 24.231 5.942 ( 9.810 8.753 15.861) 20.602 6.542 ( 0.745 -5.953 1.111) 6.102 6.571 ( 3.711 -2.253 1.578) 4.620 7.068 ( -4.723 3.263 3.355) 6.649 7.198 ( -5.263 2.917 -4.507) 7.518 7.945 ( -0.140 3.322 2.191) 3.982 8.015 ( 1.451 3.038 -4.322) 5.479 8.115 ( -8.319 5.646 -3.064) 10.510 8.957 ( 13.923 2.372 4.256) 14.751 56.165 ( -0.325 -0.075 -0.132) 0.359 56.183 ( 0.127 -0.229 0.155) 0.304 ======================= Grid point 689 (343/372) ======================= q-point: (-0.14 -0.57 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -11.071 7.803 1.023) 13.583 2.738 ( 0.224 3.254 -6.939) 7.667 2.960 ( -15.697 21.069 -5.427) 26.828 3.243 ( -1.733 -12.478 6.609) 14.226 3.532 ( 0.029 1.276 4.863) 5.028 4.062 ( 4.668 3.616 -2.712) 6.498 4.959 ( -5.398 13.050 -14.306) 20.102 5.976 ( 8.550 4.130 11.770) 15.122 6.623 ( 1.379 -1.842 0.026) 2.301 6.691 ( 3.284 -6.121 2.607) 7.419 6.974 ( -4.161 3.653 3.488) 6.544 7.107 ( -4.698 0.049 -3.232) 5.703 7.834 ( -3.850 12.560 5.927) 14.412 7.874 ( 1.495 6.220 1.327) 6.533 8.066 ( -2.610 -5.481 -14.738) 15.939 9.080 ( 10.117 0.309 6.805) 12.196 56.161 ( -0.247 0.056 -0.119) 0.280 56.187 ( 0.157 -0.095 0.163) 0.245 ======================= Grid point 690 (344/372) ======================= q-point: (-0.07 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -5.714 7.383 1.723) 9.494 2.407 ( -5.276 23.556 -6.865) 25.097 2.700 ( -1.848 3.283 0.059) 3.768 3.326 ( -0.287 2.338 0.926) 2.531 3.624 ( 0.216 -10.594 7.212) 12.817 4.084 ( 0.817 -2.382 -7.812) 8.208 4.731 ( -1.710 4.798 -7.696) 9.229 6.060 ( 7.361 -0.505 8.076) 10.939 6.625 ( -1.244 1.322 -2.298) 2.928 6.811 ( 1.224 -3.974 2.837) 5.034 6.909 ( -0.560 2.955 4.674) 5.558 7.075 ( -3.071 -1.853 -2.461) 4.350 7.645 ( -2.550 6.972 1.330) 7.542 7.798 ( 2.979 6.515 3.224) 7.856 8.096 ( -1.652 -6.140 -11.093) 12.786 9.195 ( 5.485 -1.868 7.254) 9.284 56.157 ( -0.120 0.153 -0.078) 0.210 56.190 ( 0.192 0.100 0.123) 0.249 ======================= Grid point 698 (345/372) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -15.169 -0.000 10.298) 18.334 2.653 ( 17.423 0.000 -5.734) 18.342 2.892 ( 11.155 0.000 8.916) 14.281 3.080 ( -10.630 -0.000 -10.256) 14.771 4.451 ( -2.716 -0.000 9.944) 10.308 4.641 ( 4.281 0.000 -8.767) 9.757 6.083 ( 1.317 0.000 4.079) 4.286 6.200 ( -3.426 -0.000 -7.380) 8.136 6.977 ( 5.418 0.000 10.653) 11.952 7.085 ( -2.647 -0.000 -2.520) 3.655 7.224 ( -0.240 -0.000 5.806) 5.810 7.440 ( 0.997 0.000 -13.314) 13.352 7.469 ( -9.346 -0.000 8.882) 12.893 7.640 ( 6.371 0.000 -9.275) 11.253 8.842 ( -6.769 -0.000 14.016) 15.565 9.097 ( 6.466 0.000 -12.067) 13.690 56.159 ( 0.062 0.000 0.002) 0.062 56.159 ( -0.054 -0.000 -0.021) 0.059 ======================= Grid point 699 (346/372) ======================= q-point: (-0.43 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -15.011 0.302 8.228) 17.121 2.750 ( 13.947 4.663 -3.861) 15.205 2.961 ( -13.510 -4.333 -8.736) 16.661 3.122 ( 11.180 -8.798 3.770) 14.718 4.395 ( -10.393 2.517 9.291) 14.166 4.606 ( -2.633 1.227 -10.072) 10.482 6.117 ( 3.446 0.822 6.853) 7.714 6.136 ( -2.892 1.333 -6.201) 6.971 6.915 ( -1.050 11.517 3.848) 12.188 6.974 ( 0.474 10.048 -2.764) 10.432 7.254 ( -5.785 -0.145 4.731) 7.475 7.339 ( -1.365 -1.400 1.126) 2.256 7.550 ( -3.434 -9.727 -0.580) 10.332 7.747 ( 10.414 -3.654 -7.398) 13.287 8.795 ( -4.837 4.191 13.697) 15.119 9.102 ( 8.784 3.896 -11.882) 15.281 56.159 ( -0.183 -0.121 -0.049) 0.225 56.161 ( -0.002 -0.179 0.028) 0.182 ======================= Grid point 700 (347/372) ======================= q-point: (-0.36 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -12.224 -5.585 9.916) 16.702 2.794 ( 10.088 3.494 -2.851) 11.051 2.865 ( -16.342 -5.123 -6.437) 18.296 3.363 ( 9.113 -6.551 -2.928) 11.599 4.211 ( -17.105 5.368 5.665) 18.801 4.512 ( -6.257 0.892 -6.895) 9.353 6.041 ( -3.482 4.578 -6.239) 8.486 6.163 ( 4.321 1.768 7.311) 8.674 6.704 ( -0.938 11.097 -1.206) 11.202 6.776 ( 2.308 14.531 2.103) 14.863 7.200 ( -6.622 0.191 4.545) 8.034 7.356 ( -2.927 -0.994 -0.493) 3.130 7.684 ( -2.096 -9.706 -1.155) 9.997 7.888 ( 8.157 -3.766 -5.548) 10.560 8.694 ( -3.231 8.474 13.084) 15.920 9.086 ( 11.643 5.913 -10.048) 16.477 56.159 ( -0.301 -0.191 -0.081) 0.366 56.165 ( -0.040 -0.340 0.064) 0.348 ======================= Grid point 701 (348/372) ======================= q-point: (-0.29 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -7.253 -13.552 14.434) 21.086 2.738 ( -18.317 -3.289 -4.187) 19.075 2.818 ( 6.135 2.793 -3.740) 7.709 3.486 ( 5.158 -1.652 -7.598) 9.331 3.932 ( -19.512 6.890 3.407) 20.971 4.395 ( -8.003 2.400 -4.799) 9.635 5.842 ( -4.214 12.178 -10.032) 16.331 6.194 ( 4.588 2.471 7.111) 8.817 6.581 ( 2.182 9.686 0.565) 9.945 6.594 ( 3.492 6.951 5.918) 9.774 7.139 ( -5.677 1.143 4.030) 7.055 7.295 ( -5.848 1.973 -3.267) 6.984 7.794 ( -2.818 -7.714 -4.739) 9.482 7.984 ( 4.001 -2.039 -4.448) 6.321 8.538 ( -1.940 12.360 11.942) 17.296 9.100 ( 14.307 5.320 -5.680) 16.286 56.159 ( -0.348 -0.226 -0.102) 0.427 56.171 ( -0.076 -0.425 0.101) 0.443 ======================= Grid point 702 (349/372) ======================= q-point: (-0.21 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -15.399 -1.837 1.665) 15.597 2.683 ( -6.490 -14.242 11.809) 19.607 2.808 ( 2.366 0.479 -4.289) 4.922 3.447 ( -5.856 5.864 -12.730) 15.190 3.653 ( -11.452 5.562 5.947) 14.051 4.244 ( -6.752 4.145 -4.357) 9.041 5.511 ( -3.616 17.903 -12.789) 22.297 6.215 ( 6.170 6.397 10.247) 13.565 6.488 ( 0.895 0.825 1.033) 1.597 6.618 ( 5.554 0.660 5.416) 7.786 7.076 ( -4.110 1.990 3.587) 5.807 7.163 ( -7.819 3.274 -5.176) 9.933 7.845 ( -4.570 -5.402 -6.286) 9.464 8.003 ( 0.744 0.387 -5.983) 6.041 8.333 ( -0.716 15.157 9.967) 18.155 9.165 ( 14.449 3.954 -0.653) 14.995 56.158 ( -0.324 -0.200 -0.118) 0.399 56.178 ( -0.091 -0.442 0.141) 0.473 ======================= Grid point 703 (350/372) ======================= q-point: (-0.14 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -15.723 1.690 -0.912) 15.840 2.728 ( -1.850 1.131 -1.359) 2.558 3.002 ( -4.618 -9.150 3.106) 10.709 3.099 ( -12.071 8.166 -6.935) 16.140 3.577 ( -0.823 2.153 5.989) 6.417 4.125 ( -2.532 2.726 -2.965) 4.757 5.134 ( -3.074 18.101 -11.860) 21.857 6.182 ( 5.805 7.621 8.788) 13.000 6.561 ( 0.114 -6.054 1.650) 6.276 6.698 ( 6.356 -0.717 3.783) 7.431 6.984 ( -5.888 3.489 -1.552) 7.017 7.054 ( -4.059 0.162 -0.376) 4.080 7.824 ( -7.608 -0.743 -3.677) 8.483 7.973 ( -0.303 -0.437 -8.580) 8.597 8.116 ( 1.617 14.451 7.200) 16.226 9.242 ( 11.513 3.722 2.156) 12.290 56.158 ( -0.248 -0.121 -0.128) 0.304 56.184 ( -0.069 -0.391 0.167) 0.431 ======================= Grid point 704 (351/372) ======================= q-point: (-0.07 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -9.450 0.937 -0.018) 9.496 2.606 ( -13.546 14.913 -9.044) 22.084 2.704 ( 0.257 0.592 -4.815) 4.858 3.258 ( -1.021 -8.791 4.426) 9.895 3.582 ( 0.853 -0.466 9.214) 9.265 4.066 ( -0.920 1.977 -5.505) 5.921 4.826 ( -1.980 11.220 -6.442) 13.089 6.169 ( 4.846 3.438 5.854) 8.341 6.620 ( -1.462 -0.477 -1.197) 1.949 6.780 ( 2.811 -2.025 2.333) 4.177 6.919 ( -1.756 -1.808 0.788) 2.640 7.032 ( -0.735 0.076 -0.101) 0.745 7.694 ( -7.048 4.701 -0.774) 8.508 7.962 ( 1.788 5.263 -2.260) 6.001 7.977 ( -0.408 0.199 -1.453) 1.523 9.287 ( 6.991 3.287 2.654) 8.168 56.157 ( -0.129 -0.035 -0.114) 0.176 56.190 ( -0.029 -0.252 0.149) 0.294 ======================= Grid point 713 (352/372) ======================= q-point: (-0.43 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -16.715 -0.000 6.596) 17.969 2.733 ( -16.087 -0.000 -9.922) 18.901 2.956 ( 16.328 0.000 -10.203) 19.254 3.139 ( 6.899 0.000 8.766) 11.155 4.312 ( -15.817 -0.000 9.129) 18.262 4.505 ( -11.144 -0.000 -11.205) 15.803 6.111 ( -1.364 -0.000 -4.440) 4.645 6.185 ( 4.243 0.000 7.328) 8.468 6.971 ( -5.721 -0.000 -7.290) 9.266 7.064 ( -1.588 -0.000 5.479) 5.704 7.224 ( -4.668 -0.000 4.685) 6.614 7.298 ( -2.801 -0.000 -9.076) 9.499 7.452 ( 1.689 0.000 14.774) 14.870 7.810 ( 11.505 0.000 -9.388) 14.849 8.838 ( -2.548 -0.000 13.485) 13.723 9.190 ( 10.290 0.000 -12.562) 16.239 56.156 ( -0.206 -0.000 -0.041) 0.210 56.158 ( -0.174 -0.000 0.018) 0.175 ======================= Grid point 714 (353/372) ======================= q-point: (-0.36 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -15.485 -3.407 7.748) 17.647 2.570 ( -18.543 -4.982 -8.371) 20.946 2.992 ( 11.801 7.168 -5.260) 14.775 3.315 ( 6.104 -7.594 -0.886) 9.784 4.116 ( -19.986 4.406 5.923) 21.306 4.353 ( -15.717 -3.186 -7.293) 17.618 6.064 ( -1.204 2.947 -3.237) 4.540 6.244 ( 3.718 0.952 5.921) 7.056 6.823 ( -3.742 6.612 -6.680) 10.117 6.995 ( -0.469 8.422 2.835) 8.898 7.145 ( -6.100 0.565 2.895) 6.776 7.316 ( -1.024 -2.129 0.445) 2.404 7.558 ( 1.004 -4.171 8.895) 9.876 7.905 ( 8.567 -2.175 -8.891) 12.537 8.826 ( -0.780 4.701 12.980) 13.827 9.240 ( 11.839 2.542 -12.046) 17.080 56.154 ( -0.307 -0.041 -0.059) 0.315 56.159 ( -0.235 -0.284 0.038) 0.370 ======================= Grid point 715 (354/372) ======================= q-point: (-0.29 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -10.669 -12.481 13.149) 21.036 2.439 ( -20.608 -6.070 -6.174) 22.353 2.963 ( 7.232 6.737 -3.547) 10.501 3.440 ( 1.291 -4.299 -8.824) 9.900 3.835 ( -20.147 5.269 3.792) 21.167 4.236 ( -16.639 -4.321 -3.187) 17.484 5.953 ( -1.620 7.980 -4.490) 9.298 6.261 ( 2.270 1.692 2.265) 3.626 6.701 ( 1.835 4.415 -1.756) 5.094 6.833 ( 0.627 12.001 3.384) 12.485 7.099 ( -6.095 -0.621 3.155) 6.891 7.295 ( -1.229 4.165 2.577) 5.049 7.650 ( -1.544 -5.510 0.525) 5.746 7.980 ( 4.115 -1.618 -6.750) 8.069 8.750 ( 0.393 9.442 11.928) 15.218 9.286 ( 13.347 2.961 -9.444) 16.616 56.152 ( -0.358 -0.159 -0.073) 0.398 56.162 ( -0.278 -0.450 0.065) 0.533 ======================= Grid point 716 (355/372) ======================= q-point: (-0.21 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -18.879 -7.140 -2.239) 20.308 2.387 ( -7.598 -17.261 15.585) 24.466 2.889 ( 1.086 6.074 -3.525) 7.106 3.377 ( -10.685 3.255 -16.857) 20.222 3.631 ( -8.378 1.529 7.856) 11.587 4.122 ( -15.574 -3.450 -2.846) 16.203 5.728 ( -1.024 15.263 -8.036) 17.280 6.287 ( 2.485 -1.543 2.034) 3.562 6.641 ( 2.398 11.342 2.011) 11.766 6.711 ( 3.069 1.408 4.286) 5.456 7.054 ( -5.583 -0.292 2.127) 5.982 7.178 ( -2.066 8.263 1.454) 8.640 7.705 ( -3.251 -4.823 -3.715) 6.902 7.990 ( -0.147 0.261 -6.239) 6.247 8.603 ( 0.739 13.591 10.038) 16.912 9.357 ( 13.698 2.620 -5.558) 15.013 56.151 ( -0.328 -0.238 -0.092) 0.415 56.168 ( -0.311 -0.558 0.106) 0.647 ======================= Grid point 717 (356/372) ======================= q-point: (-0.14 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -19.158 -4.285 -2.587) 19.801 2.685 ( -5.534 -9.444 12.957) 16.961 2.818 ( -1.145 -6.070 0.576) 6.204 3.054 ( -14.913 10.050 -21.039) 27.678 3.611 ( -1.190 0.294 8.624) 8.710 4.040 ( -10.984 -4.655 -0.440) 11.937 5.396 ( -0.582 20.275 -9.760) 22.509 6.348 ( 3.009 1.079 3.705) 4.893 6.520 ( 0.902 3.594 2.042) 4.231 6.769 ( 4.423 -1.219 3.901) 6.022 6.978 ( -5.531 4.593 -4.161) 8.307 7.049 ( -0.816 3.609 4.775) 6.041 7.714 ( -4.789 -2.751 -4.195) 6.935 7.938 ( -2.878 0.996 -6.840) 7.487 8.398 ( 0.826 15.491 7.651) 17.297 9.428 ( 11.744 3.731 -2.760) 12.628 56.152 ( -0.246 -0.240 -0.120) 0.364 56.174 ( -0.304 -0.610 0.149) 0.697 ======================= Grid point 718 (357/372) ======================= q-point: (-0.07 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -12.420 -4.931 -0.328) 13.367 2.582 ( -16.731 5.937 -7.218) 19.164 2.710 ( -1.628 4.797 -15.049) 15.879 3.069 ( -2.350 -14.520 6.188) 15.958 3.638 ( 1.609 0.702 12.320) 12.444 4.034 ( -5.236 -3.271 0.970) 6.249 5.024 ( -1.651 18.925 -8.143) 20.669 6.309 ( 2.997 6.671 3.193) 7.980 6.557 ( -1.466 -4.333 0.427) 4.594 6.837 ( -1.181 4.539 -1.784) 5.018 6.857 ( 3.140 -3.300 0.830) 4.630 7.039 ( 0.543 0.123 2.799) 2.854 7.661 ( -6.472 0.884 -1.945) 6.815 7.880 ( -3.387 -1.350 -7.729) 8.545 8.188 ( 0.897 13.392 6.027) 14.713 9.445 ( 7.879 5.690 -2.062) 9.936 56.153 ( -0.135 -0.194 -0.133) 0.271 56.182 ( -0.262 -0.566 0.156) 0.643 ======================= Grid point 728 (358/372) ======================= q-point: (-0.36 -0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -16.777 -0.000 7.316) 18.303 2.302 ( -19.981 -0.000 -6.788) 21.102 3.170 ( 11.421 0.000 -15.180) 18.997 3.270 ( 0.771 0.000 4.763) 4.825 3.982 ( -20.670 -0.000 10.148) 23.026 4.082 ( -21.691 -0.000 -9.542) 23.697 6.077 ( -0.349 -0.000 -1.528) 1.567 6.306 ( 2.849 0.000 4.636) 5.442 6.800 ( -3.776 -0.000 -9.994) 10.683 7.020 ( -5.456 -0.000 6.979) 8.859 7.196 ( 0.486 0.000 2.139) 2.194 7.227 ( -1.166 -0.000 -3.044) 3.260 7.617 ( 2.833 0.000 16.311) 16.555 7.930 ( 6.611 0.000 -11.803) 13.528 8.909 ( 0.984 0.000 12.693) 12.731 9.337 ( 11.678 0.000 -13.357) 17.742 56.151 ( -0.285 -0.000 -0.082) 0.297 56.152 ( -0.425 -0.000 0.059) 0.429 ======================= Grid point 729 (359/372) ======================= q-point: (-0.29 -0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -13.780 -8.960 11.631) 20.136 2.113 ( -21.248 -4.520 -3.788) 22.051 3.114 ( 1.210 7.004 -7.559) 10.375 3.330 ( -2.771 -4.671 -8.972) 10.488 3.731 ( -17.773 4.706 4.624) 18.958 3.931 ( -20.446 -7.032 -0.703) 21.633 6.036 ( -0.230 4.237 -1.356) 4.455 6.321 ( 1.506 2.014 1.716) 3.044 6.734 ( 0.069 1.109 -6.881) 6.970 6.988 ( -2.954 2.617 6.059) 7.231 7.070 ( -1.581 6.720 0.190) 6.906 7.326 ( 0.836 -4.301 1.621) 4.672 7.649 ( 1.050 3.879 10.387) 11.137 7.964 ( 3.151 -1.727 -9.531) 10.186 8.923 ( 1.921 5.258 12.049) 13.286 9.406 ( 11.679 0.568 -12.863) 17.383 56.146 ( -0.396 -0.014 -0.037) 0.398 56.152 ( -0.415 -0.361 0.021) 0.550 ======================= Grid point 730 (360/372) ======================= q-point: (-0.21 -0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -20.740 -8.793 -2.855) 22.707 2.079 ( -8.993 -16.487 17.872) 25.925 2.931 ( -12.145 5.846 -3.713) 13.981 3.260 ( -7.680 0.824 -19.360) 20.844 3.594 ( -5.659 -0.103 9.550) 11.101 3.832 ( -19.839 -6.416 -1.635) 20.914 5.917 ( 0.602 9.952 -3.408) 10.537 6.307 ( 1.605 1.088 0.322) 1.966 6.728 ( 1.451 -0.622 -2.745) 3.166 6.862 ( 1.178 11.581 2.831) 11.980 7.001 ( -4.284 -0.007 2.128) 4.784 7.346 ( 2.442 6.036 4.727) 8.046 7.618 ( -2.134 0.228 1.437) 2.583 7.967 ( -0.684 -0.007 -7.224) 7.256 8.849 ( 1.731 10.690 10.578) 15.138 9.485 ( 11.882 -0.032 -10.361) 15.764 56.144 ( -0.361 -0.193 -0.046) 0.412 56.155 ( -0.460 -0.529 0.051) 0.703 ======================= Grid point 731 (361/372) ======================= q-point: (-0.14 -0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -21.214 -8.168 -3.819) 23.051 2.422 ( -3.320 -20.777 19.182) 28.472 2.687 ( -19.683 1.356 -1.964) 19.827 3.036 ( -6.071 8.757 -26.493) 28.556 3.623 ( -1.076 -2.008 9.770) 10.032 3.763 ( -16.694 -9.779 3.459) 19.654 5.692 ( 1.727 17.372 -6.445) 18.609 6.337 ( 1.177 -2.595 1.048) 3.036 6.670 ( -1.563 8.882 2.964) 9.493 6.777 ( 4.119 0.582 -2.559) 4.884 6.967 ( -2.840 0.472 1.184) 3.113 7.227 ( 2.538 12.036 5.975) 13.675 7.612 ( -3.966 -2.700 -2.115) 5.244 7.903 ( -3.671 1.734 -7.283) 8.338 8.683 ( 0.931 14.882 8.423) 17.125 9.569 ( 10.828 1.130 -7.790) 13.387 56.144 ( -0.251 -0.291 -0.090) 0.395 56.160 ( -0.482 -0.679 0.116) 0.841 ======================= Grid point 732 (362/372) ======================= q-point: (-0.07 -0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -14.514 -10.792 -1.197) 18.127 2.435 ( -19.413 1.670 -6.368) 20.499 2.714 ( -5.725 5.310 -20.788) 22.206 2.786 ( -4.725 -15.562 4.045) 16.759 3.697 ( 0.945 -3.105 12.979) 13.379 3.839 ( -8.366 -10.956 9.652) 16.827 5.349 ( 1.049 23.017 -7.464) 24.219 6.404 ( 1.207 -2.320 1.289) 2.916 6.532 ( -1.425 6.368 1.448) 6.684 6.799 ( 0.835 -0.525 -4.558) 4.663 6.936 ( 1.186 1.679 -0.308) 2.079 7.110 ( 2.656 6.622 6.699) 9.786 7.588 ( -6.189 -0.968 -1.385) 6.416 7.811 ( -4.049 0.803 -7.710) 8.746 8.456 ( 0.347 15.980 6.661) 17.316 9.597 ( 7.502 4.500 -6.915) 11.152 56.147 ( -0.126 -0.299 -0.140) 0.353 56.168 ( -0.449 -0.761 0.164) 0.898 ======================= Grid point 743 (363/372) ======================= q-point: (-0.29 -0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -13.578 -0.000 14.418) 19.806 1.850 ( -21.441 -0.000 0.850) 21.458 3.125 ( -9.356 -0.000 -14.077) 16.903 3.153 ( -15.666 -0.000 -3.760) 16.111 3.615 ( -15.936 -0.000 -1.462) 16.003 3.707 ( -8.157 -0.000 4.849) 9.489 6.069 ( 0.237 0.000 -0.612) 0.656 6.352 ( 0.161 0.000 0.862) 0.876 6.730 ( 2.652 0.000 -7.214) 7.686 6.978 ( -2.561 -0.000 6.333) 6.831 7.188 ( -1.216 -0.000 -1.725) 2.111 7.251 ( 2.411 0.000 4.327) 4.953 7.755 ( 0.779 0.000 13.352) 13.375 7.935 ( 2.070 0.000 -12.403) 12.575 9.032 ( 2.685 0.000 12.358) 12.646 9.472 ( 10.051 0.000 -14.743) 17.843 56.142 ( -0.618 -0.000 0.134) 0.633 56.144 ( -0.298 -0.000 -0.151) 0.334 ======================= Grid point 744 (364/372) ======================= q-point: (-0.21 -0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -19.861 -2.549 4.224) 20.465 1.786 ( -10.650 -14.344 19.520) 26.461 2.818 ( -23.886 6.005 -4.044) 24.959 3.044 ( -17.615 -6.635 -11.342) 21.976 3.507 ( -10.841 -2.650 -1.279) 11.233 3.657 ( -2.595 1.066 0.350) 2.827 6.036 ( 1.127 4.506 -1.027) 4.757 6.338 ( -0.316 1.279 -0.241) 1.339 6.741 ( 3.711 0.766 -4.065) 5.557 6.973 ( -1.820 0.512 5.183) 5.517 7.068 ( 0.823 9.481 -0.021) 9.516 7.361 ( 1.378 -4.832 2.232) 5.498 7.718 ( -0.059 7.857 6.747) 10.357 7.926 ( -0.652 -0.926 -8.513) 8.588 9.049 ( 2.468 6.308 11.988) 13.769 9.537 ( 9.660 -1.762 -13.900) 17.019 56.137 ( -0.533 -0.134 0.100) 0.559 56.143 ( -0.395 -0.306 -0.102) 0.510 ======================= Grid point 745 (365/372) ======================= q-point: (-0.14 -0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -21.631 -5.995 0.119) 22.446 2.098 ( -4.891 -21.194 21.030) 30.255 2.472 ( -26.575 2.665 -1.095) 26.731 2.942 ( -11.653 -3.507 -16.234) 20.289 3.391 ( -17.701 -4.334 -5.673) 19.087 3.680 ( 2.725 -2.169 8.818) 9.480 5.929 ( 2.424 10.698 -3.148) 11.412 6.320 ( -0.730 -0.244 0.079) 0.774 6.730 ( -0.390 2.787 0.488) 2.857 6.931 ( 4.131 9.023 -1.621) 10.055 6.959 ( -0.822 0.945 3.134) 3.375 7.416 ( 1.727 2.150 1.971) 3.390 7.585 ( -2.330 6.990 2.448) 7.764 7.871 ( -3.531 1.773 -7.657) 8.616 8.952 ( 1.607 12.503 10.451) 16.375 9.632 ( 9.540 -2.105 -11.757) 15.287 56.136 ( -0.356 -0.334 0.041) 0.490 56.145 ( -0.477 -0.517 -0.015) 0.704 ======================= Grid point 746 (366/372) ======================= q-point: (-0.07 -0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -16.117 -12.895 -1.101) 20.670 2.198 ( -23.158 -1.791 -3.031) 23.424 2.421 ( -8.164 -19.111 8.214) 22.346 2.715 ( -8.526 9.567 -27.694) 30.515 3.420 ( -13.272 -18.943 11.455) 25.811 3.809 ( 4.782 -3.623 13.687) 14.944 5.697 ( 2.171 19.068 -5.280) 19.904 6.347 ( -0.034 -3.733 0.826) 3.824 6.641 ( -3.268 6.318 3.217) 7.807 6.860 ( 5.693 5.429 -4.311) 8.970 6.946 ( 0.078 0.866 -0.452) 0.980 7.315 ( 2.073 11.012 4.948) 12.250 7.506 ( -6.229 -0.284 -0.288) 6.242 7.771 ( -3.371 1.901 -7.589) 8.518 8.755 ( 1.028 16.500 8.579) 18.625 9.691 ( 6.804 1.572 -10.995) 13.025 56.140 ( -0.135 -0.381 -0.102) 0.416 56.150 ( -0.523 -0.750 0.141) 0.925 ======================= Grid point 758 (367/372) ======================= q-point: (-0.21 -0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -19.077 -0.000 13.081) 23.131 1.571 ( -7.590 -0.000 24.511) 25.659 2.643 ( -27.985 -0.000 -0.171) 27.985 2.660 ( -25.939 -0.000 -7.194) 26.919 3.387 ( -8.455 -0.000 -3.319) 9.083 3.655 ( 1.155 0.000 -7.902) 7.986 6.086 ( 1.988 0.000 -0.276) 2.007 6.336 ( -1.554 -0.000 -0.685) 1.698 6.783 ( 3.948 0.000 -2.825) 4.855 6.979 ( -1.639 -0.000 4.059) 4.377 7.164 ( 0.986 0.000 -2.556) 2.740 7.340 ( 2.995 0.000 4.808) 5.664 7.813 ( -2.067 -0.000 8.512) 8.760 7.876 ( 0.560 0.000 -12.304) 12.317 9.172 ( 2.813 0.000 13.349) 13.642 9.561 ( 8.430 0.000 -14.409) 16.694 56.129 ( -0.681 -0.000 0.250) 0.726 56.137 ( -0.261 -0.000 -0.249) 0.360 ======================= Grid point 759 (368/372) ======================= q-point: (-0.14 -0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -17.693 5.563 14.382) 23.470 1.786 ( -6.881 -17.686 23.169) 29.949 2.241 ( -28.975 4.957 0.039) 29.396 2.572 ( -21.038 -14.941 0.859) 25.818 3.237 ( -10.955 4.908 -11.679) 16.748 3.668 ( 2.052 -3.710 -4.870) 6.457 6.075 ( 3.250 4.804 -0.646) 5.836 6.308 ( -1.977 0.517 -0.480) 2.099 6.778 ( -0.732 2.573 0.112) 2.678 6.955 ( -3.000 1.091 1.749) 3.640 7.121 ( 5.656 6.322 -1.571) 8.627 7.405 ( 1.159 -2.150 1.477) 2.854 7.731 ( -1.446 8.206 2.362) 8.660 7.841 ( -1.965 1.190 -8.025) 8.347 9.181 ( 2.633 7.793 13.137) 15.500 9.635 ( 8.772 -3.266 -12.495) 15.612 56.126 ( -0.591 -0.316 0.295) 0.732 56.135 ( -0.251 -0.202 -0.271) 0.421 ======================= Grid point 760 (369/372) ======================= q-point: (-0.07 -0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -14.878 -3.398 9.381) 17.914 1.902 ( -25.090 -3.265 2.481) 25.423 2.040 ( -14.775 -15.518 5.549) 22.133 2.664 ( -6.418 -1.232 -11.441) 13.176 3.037 ( -12.966 -10.989 4.835) 17.671 3.790 ( 3.097 -7.751 2.759) 8.791 5.965 ( 2.670 12.352 -2.203) 12.828 6.304 ( 0.107 -1.921 0.972) 2.155 6.695 ( -4.561 4.251 2.565) 6.742 6.904 ( -3.429 0.690 -0.553) 3.541 7.082 ( 8.497 7.588 -2.225) 11.607 7.415 ( -2.746 0.500 -1.754) 3.297 7.556 ( -2.199 11.193 3.644) 11.975 7.755 ( -1.821 2.557 -7.483) 8.115 9.063 ( 2.523 14.524 11.646) 18.787 9.723 ( 6.787 -1.025 -12.260) 14.051 56.130 ( -0.397 -0.591 0.264) 0.760 56.136 ( -0.247 -0.383 -0.216) 0.504 ======================= Grid point 773 (370/372) ======================= q-point: (-0.14 -0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -13.157 -0.000 22.363) 25.946 1.603 ( -9.601 -0.000 22.763) 24.705 2.070 ( -25.230 -0.000 -2.951) 25.402 2.148 ( -20.275 -0.000 16.573) 26.187 3.163 ( -9.318 -0.000 -10.231) 13.838 3.594 ( 0.038 0.000 -16.148) 16.148 6.156 ( 4.786 0.000 0.836) 4.858 6.288 ( -2.374 -0.000 -0.640) 2.459 6.772 ( -4.721 -0.000 -0.053) 4.721 6.926 ( -5.438 -0.000 0.341) 5.449 7.227 ( 6.493 0.000 -3.184) 7.231 7.408 ( 0.961 0.000 1.061) 1.432 7.793 ( -3.605 -0.000 4.626) 5.864 7.809 ( 0.900 0.000 -12.318) 12.351 9.327 ( 3.449 0.000 14.790) 15.187 9.658 ( 9.188 0.000 -9.886) 13.496 56.118 ( -0.572 -0.000 0.393) 0.694 56.130 ( -0.181 -0.000 -0.363) 0.406 ======================= Grid point 774 (371/372) ======================= q-point: (-0.07 -0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 686 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -8.612 9.606 21.546) 25.114 1.596 ( -22.488 -7.935 8.903) 25.455 1.721 ( -19.988 2.721 3.686) 20.506 2.401 ( -2.729 -24.075 23.421) 33.698 2.916 ( -10.641 9.946 -16.417) 21.948 3.634 ( -0.344 -10.520 -12.021) 15.978 6.148 ( 3.202 7.027 0.373) 7.731 6.287 ( 1.174 -1.717 0.928) 2.278 6.692 ( -7.209 1.941 0.755) 7.504 6.855 ( -6.985 0.169 -1.233) 7.095 7.255 ( 7.232 3.729 -2.120) 8.409 7.399 ( -1.895 1.288 -1.007) 2.503 7.699 ( -2.419 7.417 0.523) 7.819 7.764 ( -0.231 2.352 -7.797) 8.148 9.336 ( 3.785 9.104 14.167) 17.260 9.739 ( 7.858 -1.129 -9.372) 12.282 56.118 ( -0.446 -0.389 0.444) 0.740 56.129 ( -0.111 -0.209 -0.399) 0.464 ======================= Grid point 788 (372/372) ======================= q-point: (-0.07 -0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 6.10e-05 6.10e-05 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -10.711 -0.000 3.141) 11.162 1.297 ( -24.724 -0.000 9.363) 26.437 1.790 ( -4.144 -0.000 19.710) 20.141 2.185 ( 1.411 0.000 35.524) 35.552 2.881 ( -9.305 -0.000 -15.803) 18.339 3.440 ( -2.433 -0.000 -23.234) 23.361 6.257 ( 0.373 0.000 0.488) 0.614 6.279 ( 5.282 0.000 2.001) 5.649 6.626 ( -7.739 -0.000 -0.198) 7.741 6.766 ( -8.641 -0.000 -2.265) 8.933 7.338 ( 5.205 0.000 -2.280) 5.682 7.392 ( -2.020 -0.000 -0.203) 2.030 7.736 ( -4.240 -0.000 2.507) 4.925 7.758 ( 1.684 0.000 -11.007) 11.135 9.502 ( 3.707 0.000 14.612) 15.075 9.791 ( 7.967 0.000 -6.968) 10.584 56.112 ( -0.331 -0.000 0.509) 0.607 56.125 ( -0.064 -0.000 -0.465) 0.469 =================== 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 3/24696 10.0 57.735 99.018 147.408 0.000 21.176 0.000 3/24696 20.0 35.518 39.388 50.110 0.000 7.919 0.000 3/24696 30.0 25.834 26.017 29.362 0.000 4.679 0.000 3/24696 40.0 19.799 19.258 20.404 0.000 3.314 0.000 3/24696 50.0 15.503 14.890 15.219 0.000 2.502 0.000 3/24696 60.0 12.437 11.901 11.903 0.000 1.968 0.000 3/24696 70.0 10.244 9.806 9.671 0.000 1.602 0.000 3/24696 80.0 8.650 8.298 8.107 0.000 1.343 0.000 3/24696 90.0 7.461 7.178 6.968 0.000 1.153 0.000 3/24696 100.0 6.552 6.323 6.110 0.000 1.008 0.000 3/24696 110.0 5.838 5.652 5.444 0.000 0.896 0.000 3/24696 120.0 5.266 5.113 4.913 0.000 0.807 0.000 3/24696 130.0 4.797 4.670 4.480 0.000 0.733 0.000 3/24696 140.0 4.406 4.300 4.120 0.000 0.673 0.000 3/24696 150.0 4.076 3.986 3.815 0.000 0.621 0.000 3/24696 160.0 3.792 3.716 3.555 0.000 0.578 0.000 3/24696 170.0 3.547 3.482 3.329 0.000 0.540 0.000 3/24696 180.0 3.332 3.276 3.131 0.000 0.507 0.000 3/24696 190.0 3.143 3.094 2.956 0.000 0.477 0.000 3/24696 200.0 2.974 2.932 2.800 0.000 0.452 0.000 3/24696 210.0 2.823 2.786 2.660 0.000 0.428 0.000 3/24696 220.0 2.687 2.654 2.534 0.000 0.407 0.000 3/24696 230.0 2.564 2.535 2.419 0.000 0.389 0.000 3/24696 240.0 2.451 2.426 2.315 0.000 0.371 0.000 3/24696 250.0 2.349 2.326 2.220 0.000 0.356 0.000 3/24696 260.0 2.255 2.234 2.132 0.000 0.341 0.000 3/24696 270.0 2.168 2.149 2.051 0.000 0.328 0.000 3/24696 280.0 2.087 2.071 1.976 0.000 0.316 0.000 3/24696 290.0 2.013 1.998 1.906 0.000 0.304 0.000 3/24696 300.0 1.944 1.930 1.841 0.000 0.294 0.000 3/24696 310.0 1.879 1.867 1.781 0.000 0.284 0.000 3/24696 320.0 1.819 1.807 1.724 0.000 0.275 0.000 3/24696 330.0 1.762 1.752 1.671 0.000 0.266 0.000 3/24696 340.0 1.709 1.699 1.622 0.000 0.258 0.000 3/24696 350.0 1.659 1.650 1.575 0.000 0.251 0.000 3/24696 360.0 1.612 1.604 1.530 0.000 0.244 0.000 3/24696 370.0 1.568 1.560 1.488 0.000 0.237 0.000 3/24696 380.0 1.526 1.519 1.449 0.000 0.230 0.000 3/24696 390.0 1.486 1.479 1.411 0.000 0.224 0.000 3/24696 400.0 1.448 1.442 1.376 0.000 0.219 0.000 3/24696 410.0 1.412 1.406 1.342 0.000 0.213 0.000 3/24696 420.0 1.378 1.373 1.310 0.000 0.208 0.000 3/24696 430.0 1.345 1.340 1.279 0.000 0.203 0.000 3/24696 440.0 1.314 1.310 1.250 0.000 0.198 0.000 3/24696 450.0 1.285 1.280 1.222 0.000 0.194 0.000 3/24696 460.0 1.256 1.252 1.195 0.000 0.190 0.000 3/24696 470.0 1.229 1.226 1.170 0.000 0.186 0.000 3/24696 480.0 1.203 1.200 1.145 0.000 0.182 0.000 3/24696 490.0 1.179 1.175 1.122 0.000 0.178 0.000 3/24696 500.0 1.155 1.152 1.099 0.000 0.174 0.000 3/24696 510.0 1.132 1.129 1.078 0.000 0.171 0.000 3/24696 520.0 1.110 1.107 1.057 0.000 0.167 0.000 3/24696 530.0 1.089 1.086 1.037 0.000 0.164 0.000 3/24696 540.0 1.068 1.066 1.018 0.000 0.161 0.000 3/24696 550.0 1.049 1.046 0.999 0.000 0.158 0.000 3/24696 560.0 1.030 1.028 0.981 0.000 0.155 0.000 3/24696 570.0 1.012 1.010 0.964 0.000 0.153 0.000 3/24696 580.0 0.994 0.992 0.947 0.000 0.150 0.000 3/24696 590.0 0.977 0.975 0.931 0.000 0.147 0.000 3/24696 600.0 0.961 0.959 0.916 0.000 0.145 0.000 3/24696 610.0 0.945 0.943 0.901 0.000 0.143 0.000 3/24696 620.0 0.930 0.928 0.886 0.000 0.140 0.000 3/24696 630.0 0.915 0.913 0.872 0.000 0.138 0.000 3/24696 640.0 0.900 0.899 0.859 0.000 0.136 0.000 3/24696 650.0 0.886 0.885 0.845 0.000 0.134 0.000 3/24696 660.0 0.873 0.872 0.833 0.000 0.132 0.000 3/24696 670.0 0.860 0.859 0.820 0.000 0.130 0.000 3/24696 680.0 0.847 0.846 0.808 0.000 0.128 0.000 3/24696 690.0 0.835 0.834 0.796 0.000 0.126 0.000 3/24696 700.0 0.823 0.822 0.785 0.000 0.124 0.000 3/24696 710.0 0.811 0.810 0.774 0.000 0.122 0.000 3/24696 720.0 0.800 0.799 0.763 0.000 0.121 0.000 3/24696 730.0 0.789 0.788 0.753 0.000 0.119 0.000 3/24696 740.0 0.778 0.777 0.743 0.000 0.117 0.000 3/24696 750.0 0.768 0.767 0.733 0.000 0.116 0.000 3/24696 760.0 0.757 0.757 0.723 0.000 0.114 0.000 3/24696 770.0 0.748 0.747 0.714 0.000 0.113 0.000 3/24696 780.0 0.738 0.737 0.705 0.000 0.111 0.000 3/24696 790.0 0.729 0.728 0.696 0.000 0.110 0.000 3/24696 800.0 0.719 0.719 0.687 0.000 0.108 0.000 3/24696 810.0 0.711 0.710 0.679 0.000 0.107 0.000 3/24696 820.0 0.702 0.701 0.670 0.000 0.106 0.000 3/24696 830.0 0.693 0.693 0.662 0.000 0.105 0.000 3/24696 840.0 0.685 0.685 0.654 0.000 0.103 0.000 3/24696 850.0 0.677 0.676 0.647 0.000 0.102 0.000 3/24696 860.0 0.669 0.669 0.639 0.000 0.101 0.000 3/24696 870.0 0.661 0.661 0.632 0.000 0.100 0.000 3/24696 880.0 0.654 0.653 0.625 0.000 0.099 0.000 3/24696 890.0 0.646 0.646 0.618 0.000 0.097 0.000 3/24696 900.0 0.639 0.639 0.611 0.000 0.096 0.000 3/24696 910.0 0.632 0.632 0.604 0.000 0.095 0.000 3/24696 920.0 0.625 0.625 0.598 0.000 0.094 0.000 3/24696 930.0 0.619 0.618 0.591 0.000 0.093 0.000 3/24696 940.0 0.612 0.612 0.585 0.000 0.092 0.000 3/24696 950.0 0.605 0.605 0.579 0.000 0.091 0.000 3/24696 960.0 0.599 0.599 0.573 0.000 0.090 0.000 3/24696 970.0 0.593 0.593 0.567 0.000 0.089 0.000 3/24696 980.0 0.587 0.587 0.561 0.000 0.089 0.000 3/24696 990.0 0.581 0.581 0.555 0.000 0.088 0.000 3/24696 1000.0 0.575 0.575 0.550 0.000 0.087 0.000 3/24696 Thermal conductivity related properties were written into "kappa-m14147.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:45:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|