----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:11:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.120280770042614 0.000000000000000 0.000000000000000 b 0.000000000000000 5.427388610000000 0.000000000000000 c -0.632336582091627 0.000000000000000 5.266833459885016 Atomic positions (fractional): *1 O 0.73283956387428 0.44018788777134 0.00984315744290 15.999 2 O 0.26716043612572 0.44018788777134 0.49015684255710 15.999 3 O 0.26716043612572 0.55981211222866 0.99015684255710 15.999 4 O 0.73283956387428 0.55981211222866 0.50984315744290 15.999 *5 O 0.25040728838738 0.91946832584518 0.60070133487883 15.999 6 O 0.74959271161262 0.91946832584518 0.89929866512117 15.999 7 O 0.74959271161262 0.08053167415482 0.39929866512117 15.999 8 O 0.25040728838738 0.08053167415482 0.10070133487883 15.999 *9 Tb 0.00000000000000 0.23519542858685 0.75000000000000 158.925 10 Tb 0.00000000000000 0.76480457141315 0.25000000000000 158.925 *11 Ta 0.50000000000000 0.30605262382261 0.25000000000000 180.948 12 Ta 0.50000000000000 0.69394737617739 0.75000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.120280770042614 0.000000000000000 0.000000000000000 b 0.000000000000000 5.427388610000000 0.000000000000000 c -0.632336582091627 0.000000000000000 5.266833459885016 Atomic positions (fractional): *1 O 0.73283956387428 0.44018788777134 0.00984315744290 15.999 > 1 2 O 0.26716043612572 0.44018788777134 0.49015684255710 15.999 > 2 3 O 0.26716043612572 0.55981211222866 0.99015684255710 15.999 > 3 4 O 0.73283956387428 0.55981211222866 0.50984315744290 15.999 > 4 *5 O 0.25040728838738 0.91946832584518 0.60070133487883 15.999 > 5 6 O 0.74959271161262 0.91946832584518 0.89929866512117 15.999 > 6 7 O 0.74959271161262 0.08053167415482 0.39929866512117 15.999 > 7 8 O 0.25040728838738 0.08053167415482 0.10070133487883 15.999 > 8 *9 Tb 0.00000000000000 0.23519542858685 0.75000000000000 158.925 > 9 10 Tb 0.00000000000000 0.76480457141315 0.25000000000000 158.925 > 10 *11 Ta 0.50000000000000 0.30605262382261 0.25000000000000 180.948 > 11 12 Ta 0.50000000000000 0.69394737617739 0.75000000000000 180.948 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.360842310127842 0.000000000000000 0.000000000000000 b 0.000000000000000 10.854777220000001 0.000000000000000 c -1.264673164183254 0.000000000000000 10.533666919770033 Atomic positions (fractional): *1 O 0.24427985462476 0.22009394388567 0.00492157872145 15.999 > 1 2 O 0.57761318795809 0.22009394388567 0.00492157872145 15.999 > 1 3 O 0.91094652129143 0.22009394388567 0.00492157872145 15.999 > 1 4 O 0.24427985462476 0.72009394388567 0.00492157872145 15.999 > 1 5 O 0.57761318795809 0.72009394388567 0.00492157872145 15.999 > 1 6 O 0.91094652129143 0.72009394388567 0.00492157872145 15.999 > 1 7 O 0.24427985462476 0.22009394388567 0.50492157872145 15.999 > 1 8 O 0.57761318795809 0.22009394388567 0.50492157872145 15.999 > 1 9 O 0.91094652129143 0.22009394388567 0.50492157872145 15.999 > 1 10 O 0.24427985462476 0.72009394388567 0.50492157872145 15.999 > 1 11 O 0.57761318795809 0.72009394388567 0.50492157872145 15.999 > 1 12 O 0.91094652129143 0.72009394388567 0.50492157872145 15.999 > 1 13 O 0.08905347870857 0.22009394388567 0.24507842127855 15.999 > 2 14 O 0.42238681204191 0.22009394388567 0.24507842127855 15.999 > 2 15 O 0.75572014537524 0.22009394388567 0.24507842127855 15.999 > 2 16 O 0.08905347870857 0.72009394388567 0.24507842127855 15.999 > 2 17 O 0.42238681204191 0.72009394388567 0.24507842127855 15.999 > 2 18 O 0.75572014537524 0.72009394388567 0.24507842127855 15.999 > 2 19 O 0.08905347870857 0.22009394388567 0.74507842127855 15.999 > 2 20 O 0.42238681204191 0.22009394388567 0.74507842127855 15.999 > 2 21 O 0.75572014537524 0.22009394388567 0.74507842127855 15.999 > 2 22 O 0.08905347870857 0.72009394388567 0.74507842127855 15.999 > 2 23 O 0.42238681204191 0.72009394388567 0.74507842127855 15.999 > 2 24 O 0.75572014537524 0.72009394388567 0.74507842127855 15.999 > 2 25 O 0.08905347870857 0.27990605611433 0.49507842127855 15.999 > 3 26 O 0.42238681204191 0.27990605611433 0.49507842127855 15.999 > 3 27 O 0.75572014537524 0.27990605611433 0.49507842127855 15.999 > 3 28 O 0.08905347870857 0.77990605611433 0.49507842127855 15.999 > 3 29 O 0.42238681204191 0.77990605611433 0.49507842127855 15.999 > 3 30 O 0.75572014537524 0.77990605611433 0.49507842127855 15.999 > 3 31 O 0.08905347870857 0.27990605611433 0.99507842127855 15.999 > 3 32 O 0.42238681204191 0.27990605611433 0.99507842127855 15.999 > 3 33 O 0.75572014537524 0.27990605611433 0.99507842127855 15.999 > 3 34 O 0.08905347870857 0.77990605611433 0.99507842127855 15.999 > 3 35 O 0.42238681204191 0.77990605611433 0.99507842127855 15.999 > 3 36 O 0.75572014537524 0.77990605611433 0.99507842127855 15.999 > 3 37 O 0.24427985462476 0.27990605611433 0.25492157872145 15.999 > 4 38 O 0.57761318795809 0.27990605611433 0.25492157872145 15.999 > 4 39 O 0.91094652129143 0.27990605611433 0.25492157872145 15.999 > 4 40 O 0.24427985462476 0.77990605611433 0.25492157872145 15.999 > 4 41 O 0.57761318795809 0.77990605611433 0.25492157872145 15.999 > 4 42 O 0.91094652129143 0.77990605611433 0.25492157872145 15.999 > 4 43 O 0.24427985462476 0.27990605611433 0.75492157872145 15.999 > 4 44 O 0.57761318795809 0.27990605611433 0.75492157872145 15.999 > 4 45 O 0.91094652129143 0.27990605611433 0.75492157872145 15.999 > 4 46 O 0.24427985462476 0.77990605611433 0.75492157872145 15.999 > 4 47 O 0.57761318795809 0.77990605611433 0.75492157872145 15.999 > 4 48 O 0.91094652129143 0.77990605611433 0.75492157872145 15.999 > 4 *49 O 0.08346909612913 0.45973416292259 0.30035066743942 15.999 > 5 50 O 0.41680242946246 0.45973416292259 0.30035066743942 15.999 > 5 51 O 0.75013576279579 0.45973416292259 0.30035066743942 15.999 > 5 52 O 0.08346909612913 0.95973416292259 0.30035066743942 15.999 > 5 53 O 0.41680242946246 0.95973416292259 0.30035066743942 15.999 > 5 54 O 0.75013576279579 0.95973416292259 0.30035066743942 15.999 > 5 55 O 0.08346909612913 0.45973416292259 0.80035066743942 15.999 > 5 56 O 0.41680242946246 0.45973416292259 0.80035066743942 15.999 > 5 57 O 0.75013576279579 0.45973416292259 0.80035066743942 15.999 > 5 58 O 0.08346909612913 0.95973416292259 0.80035066743942 15.999 > 5 59 O 0.41680242946246 0.95973416292259 0.80035066743942 15.999 > 5 60 O 0.75013576279579 0.95973416292259 0.80035066743942 15.999 > 5 61 O 0.24986423720421 0.45973416292259 0.44964933256058 15.999 > 6 62 O 0.58319757053754 0.45973416292259 0.44964933256058 15.999 > 6 63 O 0.91653090387087 0.45973416292259 0.44964933256058 15.999 > 6 64 O 0.24986423720421 0.95973416292259 0.44964933256058 15.999 > 6 65 O 0.58319757053754 0.95973416292259 0.44964933256058 15.999 > 6 66 O 0.91653090387087 0.95973416292259 0.44964933256058 15.999 > 6 67 O 0.24986423720421 0.45973416292259 0.94964933256058 15.999 > 6 68 O 0.58319757053754 0.45973416292259 0.94964933256058 15.999 > 6 69 O 0.91653090387087 0.45973416292259 0.94964933256058 15.999 > 6 70 O 0.24986423720421 0.95973416292259 0.94964933256058 15.999 > 6 71 O 0.58319757053754 0.95973416292259 0.94964933256058 15.999 > 6 72 O 0.91653090387087 0.95973416292259 0.94964933256058 15.999 > 6 73 O 0.24986423720421 0.04026583707741 0.19964933256058 15.999 > 7 74 O 0.58319757053754 0.04026583707741 0.19964933256058 15.999 > 7 75 O 0.91653090387087 0.04026583707741 0.19964933256058 15.999 > 7 76 O 0.24986423720421 0.54026583707741 0.19964933256058 15.999 > 7 77 O 0.58319757053754 0.54026583707741 0.19964933256058 15.999 > 7 78 O 0.91653090387087 0.54026583707741 0.19964933256058 15.999 > 7 79 O 0.24986423720421 0.04026583707741 0.69964933256058 15.999 > 7 80 O 0.58319757053754 0.04026583707741 0.69964933256058 15.999 > 7 81 O 0.91653090387087 0.04026583707741 0.69964933256058 15.999 > 7 82 O 0.24986423720421 0.54026583707741 0.69964933256058 15.999 > 7 83 O 0.58319757053754 0.54026583707741 0.69964933256058 15.999 > 7 84 O 0.91653090387087 0.54026583707741 0.69964933256058 15.999 > 7 85 O 0.08346909612913 0.04026583707741 0.05035066743942 15.999 > 8 86 O 0.41680242946246 0.04026583707741 0.05035066743942 15.999 > 8 87 O 0.75013576279579 0.04026583707741 0.05035066743942 15.999 > 8 88 O 0.08346909612913 0.54026583707741 0.05035066743942 15.999 > 8 89 O 0.41680242946246 0.54026583707741 0.05035066743942 15.999 > 8 90 O 0.75013576279579 0.54026583707741 0.05035066743942 15.999 > 8 91 O 0.08346909612913 0.04026583707741 0.55035066743942 15.999 > 8 92 O 0.41680242946246 0.04026583707741 0.55035066743942 15.999 > 8 93 O 0.75013576279579 0.04026583707741 0.55035066743942 15.999 > 8 94 O 0.08346909612913 0.54026583707741 0.55035066743942 15.999 > 8 95 O 0.41680242946246 0.54026583707741 0.55035066743942 15.999 > 8 96 O 0.75013576279579 0.54026583707741 0.55035066743942 15.999 > 8 *97 Tb 0.00000000000000 0.11759771429342 0.37500000000000 158.925 > 9 98 Tb 0.33333333333333 0.11759771429342 0.37500000000000 158.925 > 9 99 Tb 0.66666666666667 0.11759771429342 0.37500000000000 158.925 > 9 100 Tb 0.00000000000000 0.61759771429342 0.37500000000000 158.925 > 9 101 Tb 0.33333333333333 0.61759771429342 0.37500000000000 158.925 > 9 102 Tb 0.66666666666667 0.61759771429342 0.37500000000000 158.925 > 9 103 Tb 0.00000000000000 0.11759771429342 0.87500000000000 158.925 > 9 104 Tb 0.33333333333333 0.11759771429342 0.87500000000000 158.925 > 9 105 Tb 0.66666666666667 0.11759771429342 0.87500000000000 158.925 > 9 106 Tb 0.00000000000000 0.61759771429342 0.87500000000000 158.925 > 9 107 Tb 0.33333333333333 0.61759771429342 0.87500000000000 158.925 > 9 108 Tb 0.66666666666667 0.61759771429342 0.87500000000000 158.925 > 9 109 Tb 0.00000000000000 0.38240228570658 0.12500000000000 158.925 > 10 110 Tb 0.33333333333333 0.38240228570658 0.12500000000000 158.925 > 10 111 Tb 0.66666666666667 0.38240228570658 0.12500000000000 158.925 > 10 112 Tb 0.00000000000000 0.88240228570658 0.12500000000000 158.925 > 10 113 Tb 0.33333333333333 0.88240228570658 0.12500000000000 158.925 > 10 114 Tb 0.66666666666667 0.88240228570658 0.12500000000000 158.925 > 10 115 Tb 0.00000000000000 0.38240228570658 0.62500000000000 158.925 > 10 116 Tb 0.33333333333333 0.38240228570658 0.62500000000000 158.925 > 10 117 Tb 0.66666666666667 0.38240228570658 0.62500000000000 158.925 > 10 118 Tb 0.00000000000000 0.88240228570658 0.62500000000000 158.925 > 10 119 Tb 0.33333333333333 0.88240228570658 0.62500000000000 158.925 > 10 120 Tb 0.66666666666667 0.88240228570658 0.62500000000000 158.925 > 10 *121 Ta 0.16666666666667 0.15302631191130 0.12500000000000 180.948 > 11 122 Ta 0.50000000000000 0.15302631191130 0.12500000000000 180.948 > 11 123 Ta 0.83333333333333 0.15302631191130 0.12500000000000 180.948 > 11 124 Ta 0.16666666666667 0.65302631191130 0.12500000000000 180.948 > 11 125 Ta 0.50000000000000 0.65302631191130 0.12500000000000 180.948 > 11 126 Ta 0.83333333333333 0.65302631191130 0.12500000000000 180.948 > 11 127 Ta 0.16666666666667 0.15302631191130 0.62500000000000 180.948 > 11 128 Ta 0.50000000000000 0.15302631191130 0.62500000000000 180.948 > 11 129 Ta 0.83333333333333 0.15302631191130 0.62500000000000 180.948 > 11 130 Ta 0.16666666666667 0.65302631191130 0.62500000000000 180.948 > 11 131 Ta 0.50000000000000 0.65302631191130 0.62500000000000 180.948 > 11 132 Ta 0.83333333333333 0.65302631191130 0.62500000000000 180.948 > 11 133 Ta 0.16666666666667 0.34697368808870 0.37500000000000 180.948 > 12 134 Ta 0.50000000000000 0.34697368808870 0.37500000000000 180.948 > 12 135 Ta 0.83333333333333 0.34697368808870 0.37500000000000 180.948 > 12 136 Ta 0.16666666666667 0.84697368808870 0.37500000000000 180.948 > 12 137 Ta 0.50000000000000 0.84697368808870 0.37500000000000 180.948 > 12 138 Ta 0.83333333333333 0.84697368808870 0.37500000000000 180.948 > 12 139 Ta 0.16666666666667 0.34697368808870 0.87500000000000 180.948 > 12 140 Ta 0.50000000000000 0.34697368808870 0.87500000000000 180.948 > 12 141 Ta 0.83333333333333 0.34697368808870 0.87500000000000 180.948 > 12 142 Ta 0.16666666666667 0.84697368808870 0.87500000000000 180.948 > 12 143 Ta 0.50000000000000 0.84697368808870 0.87500000000000 180.948 > 12 144 Ta 0.83333333333333 0.84697368808870 0.87500000000000 180.948 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9152169 0.0000000 0.2132128 0.0000000 4.6668556 0.0000000 0.2132120 0.0000000 4.6721587 -------------------------- Born effective charges -------------------------- 1 O -2.5535117 -0.1065396 0.5403794 -0.0127018 -2.1173523 0.5195267 0.5612946 0.5018533 -2.5734583 2 O -2.5535117 0.1065396 0.5403794 0.0127018 -2.1173523 -0.5195267 0.5612946 -0.5018533 -2.5734583 3 O -2.5535117 -0.1065396 0.5403794 -0.0127018 -2.1173523 0.5195267 0.5612946 0.5018533 -2.5734583 4 O -2.5535117 0.1065396 0.5403794 0.0127018 -2.1173523 -0.5195267 0.5612946 -0.5018533 -2.5734583 5 O -2.5972591 1.1075507 -0.8363892 1.1647807 -2.6228271 0.2804052 -0.9183891 0.2762853 -2.1469029 6 O -2.5972591 -1.1075507 -0.8363892 -1.1647807 -2.6228271 -0.2804052 -0.9183891 -0.2762853 -2.1469029 7 O -2.5972591 1.1075507 -0.8363892 1.1647807 -2.6228271 0.2804052 -0.9183891 0.2762853 -2.1469029 8 O -2.5972591 -1.1075507 -0.8363892 -1.1647807 -2.6228271 -0.2804052 -0.9183891 -0.2762853 -2.1469029 9 Tb 4.7208190 0.0000000 0.1713804 0.0000000 3.9287867 0.0000000 0.1986414 0.0000000 4.1110276 10 Tb 4.7208190 0.0000000 0.1713804 0.0000000 3.9287867 0.0000000 0.1986414 0.0000000 4.1110276 11 Ta 5.5807226 0.0000000 0.4206393 0.0000000 5.5515722 0.0000000 0.5155477 0.0000000 5.3296949 12 Ta 5.5807226 0.0000000 0.4206393 0.0000000 5.5515722 0.0000000 0.5155477 0.0000000 5.3296949 ---------------------------------------------------------------------------- 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: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.950 Solver_block: 200 / 400 - Time: 0.941 Solver_block: 300 / 400 - Time: 0.933 Solver_block: 400 / 400 - Time: 0.911 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.823 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:11:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:11:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.120280770042614 0.000000000000000 0.000000000000000 b 0.000000000000000 5.427388610000000 0.000000000000000 c -0.632336582091627 0.000000000000000 5.266833459885016 Atomic positions (fractional): 1 O 0.73283956387428 0.44018788777134 0.00984315744290 15.999 2 O 0.26716043612572 0.44018788777134 0.49015684255710 15.999 3 O 0.26716043612572 0.55981211222866 0.99015684255710 15.999 4 O 0.73283956387428 0.55981211222866 0.50984315744290 15.999 5 O 0.25040728838738 0.91946832584518 0.60070133487883 15.999 6 O 0.74959271161262 0.91946832584518 0.89929866512117 15.999 7 O 0.74959271161262 0.08053167415482 0.39929866512117 15.999 8 O 0.25040728838738 0.08053167415482 0.10070133487883 15.999 9 Tb 0.00000000000000 0.23519542858685 0.75000000000000 158.925 10 Tb 0.00000000000000 0.76480457141315 0.25000000000000 158.925 11 Ta 0.50000000000000 0.30605262382261 0.25000000000000 180.948 12 Ta 0.50000000000000 0.69394737617739 0.75000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.360842310127842 0.000000000000000 0.000000000000000 b 0.000000000000000 10.854777220000001 0.000000000000000 c -1.264673164183254 0.000000000000000 10.533666919770033 Atomic positions (fractional): 1 O 0.24427985462476 0.22009394388567 0.00492157872145 15.999 > 1 2 O 0.57761318795809 0.22009394388567 0.00492157872145 15.999 > 1 3 O 0.91094652129143 0.22009394388567 0.00492157872145 15.999 > 1 4 O 0.24427985462476 0.72009394388567 0.00492157872145 15.999 > 1 5 O 0.57761318795809 0.72009394388567 0.00492157872145 15.999 > 1 6 O 0.91094652129143 0.72009394388567 0.00492157872145 15.999 > 1 7 O 0.24427985462476 0.22009394388567 0.50492157872145 15.999 > 1 8 O 0.57761318795809 0.22009394388567 0.50492157872145 15.999 > 1 9 O 0.91094652129143 0.22009394388567 0.50492157872145 15.999 > 1 10 O 0.24427985462476 0.72009394388567 0.50492157872145 15.999 > 1 11 O 0.57761318795809 0.72009394388567 0.50492157872145 15.999 > 1 12 O 0.91094652129143 0.72009394388567 0.50492157872145 15.999 > 1 13 O 0.08905347870857 0.22009394388567 0.24507842127855 15.999 > 13 14 O 0.42238681204191 0.22009394388567 0.24507842127855 15.999 > 13 15 O 0.75572014537524 0.22009394388567 0.24507842127855 15.999 > 13 16 O 0.08905347870857 0.72009394388567 0.24507842127855 15.999 > 13 17 O 0.42238681204191 0.72009394388567 0.24507842127855 15.999 > 13 18 O 0.75572014537524 0.72009394388567 0.24507842127855 15.999 > 13 19 O 0.08905347870857 0.22009394388567 0.74507842127855 15.999 > 13 20 O 0.42238681204191 0.22009394388567 0.74507842127855 15.999 > 13 21 O 0.75572014537524 0.22009394388567 0.74507842127855 15.999 > 13 22 O 0.08905347870857 0.72009394388567 0.74507842127855 15.999 > 13 23 O 0.42238681204191 0.72009394388567 0.74507842127855 15.999 > 13 24 O 0.75572014537524 0.72009394388567 0.74507842127855 15.999 > 13 25 O 0.08905347870857 0.27990605611433 0.49507842127855 15.999 > 25 26 O 0.42238681204191 0.27990605611433 0.49507842127855 15.999 > 25 27 O 0.75572014537524 0.27990605611433 0.49507842127855 15.999 > 25 28 O 0.08905347870857 0.77990605611433 0.49507842127855 15.999 > 25 29 O 0.42238681204191 0.77990605611433 0.49507842127855 15.999 > 25 30 O 0.75572014537524 0.77990605611433 0.49507842127855 15.999 > 25 31 O 0.08905347870857 0.27990605611433 0.99507842127855 15.999 > 25 32 O 0.42238681204191 0.27990605611433 0.99507842127855 15.999 > 25 33 O 0.75572014537524 0.27990605611433 0.99507842127855 15.999 > 25 34 O 0.08905347870857 0.77990605611433 0.99507842127855 15.999 > 25 35 O 0.42238681204191 0.77990605611433 0.99507842127855 15.999 > 25 36 O 0.75572014537524 0.77990605611433 0.99507842127855 15.999 > 25 37 O 0.24427985462476 0.27990605611433 0.25492157872145 15.999 > 37 38 O 0.57761318795809 0.27990605611433 0.25492157872145 15.999 > 37 39 O 0.91094652129143 0.27990605611433 0.25492157872145 15.999 > 37 40 O 0.24427985462476 0.77990605611433 0.25492157872145 15.999 > 37 41 O 0.57761318795809 0.77990605611433 0.25492157872145 15.999 > 37 42 O 0.91094652129143 0.77990605611433 0.25492157872145 15.999 > 37 43 O 0.24427985462476 0.27990605611433 0.75492157872145 15.999 > 37 44 O 0.57761318795809 0.27990605611433 0.75492157872145 15.999 > 37 45 O 0.91094652129143 0.27990605611433 0.75492157872145 15.999 > 37 46 O 0.24427985462476 0.77990605611433 0.75492157872145 15.999 > 37 47 O 0.57761318795809 0.77990605611433 0.75492157872145 15.999 > 37 48 O 0.91094652129143 0.77990605611433 0.75492157872145 15.999 > 37 49 O 0.08346909612913 0.45973416292259 0.30035066743942 15.999 > 49 50 O 0.41680242946246 0.45973416292259 0.30035066743942 15.999 > 49 51 O 0.75013576279579 0.45973416292259 0.30035066743942 15.999 > 49 52 O 0.08346909612913 0.95973416292259 0.30035066743942 15.999 > 49 53 O 0.41680242946246 0.95973416292259 0.30035066743942 15.999 > 49 54 O 0.75013576279579 0.95973416292259 0.30035066743942 15.999 > 49 55 O 0.08346909612913 0.45973416292259 0.80035066743942 15.999 > 49 56 O 0.41680242946246 0.45973416292259 0.80035066743942 15.999 > 49 57 O 0.75013576279579 0.45973416292259 0.80035066743942 15.999 > 49 58 O 0.08346909612913 0.95973416292259 0.80035066743942 15.999 > 49 59 O 0.41680242946246 0.95973416292259 0.80035066743942 15.999 > 49 60 O 0.75013576279579 0.95973416292259 0.80035066743942 15.999 > 49 61 O 0.24986423720421 0.45973416292259 0.44964933256058 15.999 > 61 62 O 0.58319757053754 0.45973416292259 0.44964933256058 15.999 > 61 63 O 0.91653090387087 0.45973416292259 0.44964933256058 15.999 > 61 64 O 0.24986423720421 0.95973416292259 0.44964933256058 15.999 > 61 65 O 0.58319757053754 0.95973416292259 0.44964933256058 15.999 > 61 66 O 0.91653090387087 0.95973416292259 0.44964933256058 15.999 > 61 67 O 0.24986423720421 0.45973416292259 0.94964933256058 15.999 > 61 68 O 0.58319757053754 0.45973416292259 0.94964933256058 15.999 > 61 69 O 0.91653090387087 0.45973416292259 0.94964933256058 15.999 > 61 70 O 0.24986423720421 0.95973416292259 0.94964933256058 15.999 > 61 71 O 0.58319757053754 0.95973416292259 0.94964933256058 15.999 > 61 72 O 0.91653090387087 0.95973416292259 0.94964933256058 15.999 > 61 73 O 0.24986423720421 0.04026583707741 0.19964933256058 15.999 > 73 74 O 0.58319757053754 0.04026583707741 0.19964933256058 15.999 > 73 75 O 0.91653090387087 0.04026583707741 0.19964933256058 15.999 > 73 76 O 0.24986423720421 0.54026583707741 0.19964933256058 15.999 > 73 77 O 0.58319757053754 0.54026583707741 0.19964933256058 15.999 > 73 78 O 0.91653090387087 0.54026583707741 0.19964933256058 15.999 > 73 79 O 0.24986423720421 0.04026583707741 0.69964933256058 15.999 > 73 80 O 0.58319757053754 0.04026583707741 0.69964933256058 15.999 > 73 81 O 0.91653090387087 0.04026583707741 0.69964933256058 15.999 > 73 82 O 0.24986423720421 0.54026583707741 0.69964933256058 15.999 > 73 83 O 0.58319757053754 0.54026583707741 0.69964933256058 15.999 > 73 84 O 0.91653090387087 0.54026583707741 0.69964933256058 15.999 > 73 85 O 0.08346909612913 0.04026583707741 0.05035066743942 15.999 > 85 86 O 0.41680242946246 0.04026583707741 0.05035066743942 15.999 > 85 87 O 0.75013576279579 0.04026583707741 0.05035066743942 15.999 > 85 88 O 0.08346909612913 0.54026583707741 0.05035066743942 15.999 > 85 89 O 0.41680242946246 0.54026583707741 0.05035066743942 15.999 > 85 90 O 0.75013576279579 0.54026583707741 0.05035066743942 15.999 > 85 91 O 0.08346909612913 0.04026583707741 0.55035066743942 15.999 > 85 92 O 0.41680242946246 0.04026583707741 0.55035066743942 15.999 > 85 93 O 0.75013576279579 0.04026583707741 0.55035066743942 15.999 > 85 94 O 0.08346909612913 0.54026583707741 0.55035066743942 15.999 > 85 95 O 0.41680242946246 0.54026583707741 0.55035066743942 15.999 > 85 96 O 0.75013576279579 0.54026583707741 0.55035066743942 15.999 > 85 97 Tb 0.00000000000000 0.11759771429342 0.37500000000000 158.925 > 97 98 Tb 0.33333333333333 0.11759771429342 0.37500000000000 158.925 > 97 99 Tb 0.66666666666667 0.11759771429342 0.37500000000000 158.925 > 97 100 Tb 0.00000000000000 0.61759771429342 0.37500000000000 158.925 > 97 101 Tb 0.33333333333333 0.61759771429342 0.37500000000000 158.925 > 97 102 Tb 0.66666666666667 0.61759771429342 0.37500000000000 158.925 > 97 103 Tb 0.00000000000000 0.11759771429342 0.87500000000000 158.925 > 97 104 Tb 0.33333333333333 0.11759771429342 0.87500000000000 158.925 > 97 105 Tb 0.66666666666667 0.11759771429342 0.87500000000000 158.925 > 97 106 Tb 0.00000000000000 0.61759771429342 0.87500000000000 158.925 > 97 107 Tb 0.33333333333333 0.61759771429342 0.87500000000000 158.925 > 97 108 Tb 0.66666666666667 0.61759771429342 0.87500000000000 158.925 > 97 109 Tb 0.00000000000000 0.38240228570658 0.12500000000000 158.925 > 109 110 Tb 0.33333333333333 0.38240228570658 0.12500000000000 158.925 > 109 111 Tb 0.66666666666667 0.38240228570658 0.12500000000000 158.925 > 109 112 Tb 0.00000000000000 0.88240228570658 0.12500000000000 158.925 > 109 113 Tb 0.33333333333333 0.88240228570658 0.12500000000000 158.925 > 109 114 Tb 0.66666666666667 0.88240228570658 0.12500000000000 158.925 > 109 115 Tb 0.00000000000000 0.38240228570658 0.62500000000000 158.925 > 109 116 Tb 0.33333333333333 0.38240228570658 0.62500000000000 158.925 > 109 117 Tb 0.66666666666667 0.38240228570658 0.62500000000000 158.925 > 109 118 Tb 0.00000000000000 0.88240228570658 0.62500000000000 158.925 > 109 119 Tb 0.33333333333333 0.88240228570658 0.62500000000000 158.925 > 109 120 Tb 0.66666666666667 0.88240228570658 0.62500000000000 158.925 > 109 121 Ta 0.16666666666667 0.15302631191130 0.12500000000000 180.948 > 121 122 Ta 0.50000000000000 0.15302631191130 0.12500000000000 180.948 > 121 123 Ta 0.83333333333333 0.15302631191130 0.12500000000000 180.948 > 121 124 Ta 0.16666666666667 0.65302631191130 0.12500000000000 180.948 > 121 125 Ta 0.50000000000000 0.65302631191130 0.12500000000000 180.948 > 121 126 Ta 0.83333333333333 0.65302631191130 0.12500000000000 180.948 > 121 127 Ta 0.16666666666667 0.15302631191130 0.62500000000000 180.948 > 121 128 Ta 0.50000000000000 0.15302631191130 0.62500000000000 180.948 > 121 129 Ta 0.83333333333333 0.15302631191130 0.62500000000000 180.948 > 121 130 Ta 0.16666666666667 0.65302631191130 0.62500000000000 180.948 > 121 131 Ta 0.50000000000000 0.65302631191130 0.62500000000000 180.948 > 121 132 Ta 0.83333333333333 0.65302631191130 0.62500000000000 180.948 > 121 133 Ta 0.16666666666667 0.34697368808870 0.37500000000000 180.948 > 133 134 Ta 0.50000000000000 0.34697368808870 0.37500000000000 180.948 > 133 135 Ta 0.83333333333333 0.34697368808870 0.37500000000000 180.948 > 133 136 Ta 0.16666666666667 0.84697368808870 0.37500000000000 180.948 > 133 137 Ta 0.50000000000000 0.84697368808870 0.37500000000000 180.948 > 133 138 Ta 0.83333333333333 0.84697368808870 0.37500000000000 180.948 > 133 139 Ta 0.16666666666667 0.34697368808870 0.87500000000000 180.948 > 133 140 Ta 0.50000000000000 0.34697368808870 0.87500000000000 180.948 > 133 141 Ta 0.83333333333333 0.34697368808870 0.87500000000000 180.948 > 133 142 Ta 0.16666666666667 0.84697368808870 0.87500000000000 180.948 > 133 143 Ta 0.50000000000000 0.84697368808870 0.87500000000000 180.948 > 133 144 Ta 0.83333333333333 0.84697368808870 0.87500000000000 180.948 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9152169 0.0000000 0.2132128 0.0000000 4.6668556 0.0000000 0.2132120 0.0000000 4.6721587 -------------------------- Born effective charges -------------------------- 1 O -2.5535117 -0.1065396 0.5403794 -0.0127018 -2.1173523 0.5195267 0.5612946 0.5018533 -2.5734583 2 O -2.5535117 0.1065396 0.5403794 0.0127018 -2.1173523 -0.5195267 0.5612946 -0.5018533 -2.5734583 3 O -2.5535117 -0.1065396 0.5403794 -0.0127018 -2.1173523 0.5195267 0.5612946 0.5018533 -2.5734583 4 O -2.5535117 0.1065396 0.5403794 0.0127018 -2.1173523 -0.5195267 0.5612946 -0.5018533 -2.5734583 5 O -2.5972591 1.1075507 -0.8363892 1.1647807 -2.6228271 0.2804052 -0.9183891 0.2762853 -2.1469029 6 O -2.5972591 -1.1075507 -0.8363892 -1.1647807 -2.6228271 -0.2804052 -0.9183891 -0.2762853 -2.1469029 7 O -2.5972591 1.1075507 -0.8363892 1.1647807 -2.6228271 0.2804052 -0.9183891 0.2762853 -2.1469029 8 O -2.5972591 -1.1075507 -0.8363892 -1.1647807 -2.6228271 -0.2804052 -0.9183891 -0.2762853 -2.1469029 9 Tb 4.7208190 0.0000000 0.1713804 0.0000000 3.9287867 0.0000000 0.1986414 0.0000000 4.1110276 10 Tb 4.7208190 0.0000000 0.1713804 0.0000000 3.9287867 0.0000000 0.1986414 0.0000000 4.1110276 11 Ta 5.5807226 0.0000000 0.4206393 0.0000000 5.5515722 0.0000000 0.5155477 0.0000000 5.3296949 12 Ta 5.5807226 0.0000000 0.4206393 0.0000000 5.5515722 0.0000000 0.5155477 0.0000000 5.3296949 ---------------------------------------------------------------------------- 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 121, 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (yyy) -0.00000004 (yyy) -0.00000004 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:12:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:12:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.120280770042614 0.000000000000000 0.000000000000000 b 0.000000000000000 5.427388610000000 0.000000000000000 c -0.632336582091627 0.000000000000000 5.266833459885016 Atomic positions (fractional): 1 O 0.73283956387428 0.44018788777134 0.00984315744290 15.999 2 O 0.26716043612572 0.44018788777134 0.49015684255710 15.999 3 O 0.26716043612572 0.55981211222866 0.99015684255710 15.999 4 O 0.73283956387428 0.55981211222866 0.50984315744290 15.999 5 O 0.25040728838738 0.91946832584518 0.60070133487883 15.999 6 O 0.74959271161262 0.91946832584518 0.89929866512117 15.999 7 O 0.74959271161262 0.08053167415482 0.39929866512117 15.999 8 O 0.25040728838738 0.08053167415482 0.10070133487883 15.999 9 Tb 0.00000000000000 0.23519542858685 0.75000000000000 158.925 10 Tb 0.00000000000000 0.76480457141315 0.25000000000000 158.925 11 Ta 0.50000000000000 0.30605262382261 0.25000000000000 180.948 12 Ta 0.50000000000000 0.69394737617739 0.75000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.360842310127842 0.000000000000000 0.000000000000000 b 0.000000000000000 10.854777220000001 0.000000000000000 c -1.264673164183254 0.000000000000000 10.533666919770033 Atomic positions (fractional): 1 O 0.24427985462476 0.22009394388567 0.00492157872145 15.999 > 1 2 O 0.57761318795809 0.22009394388567 0.00492157872145 15.999 > 1 3 O 0.91094652129143 0.22009394388567 0.00492157872145 15.999 > 1 4 O 0.24427985462476 0.72009394388567 0.00492157872145 15.999 > 1 5 O 0.57761318795809 0.72009394388567 0.00492157872145 15.999 > 1 6 O 0.91094652129143 0.72009394388567 0.00492157872145 15.999 > 1 7 O 0.24427985462476 0.22009394388567 0.50492157872145 15.999 > 1 8 O 0.57761318795809 0.22009394388567 0.50492157872145 15.999 > 1 9 O 0.91094652129143 0.22009394388567 0.50492157872145 15.999 > 1 10 O 0.24427985462476 0.72009394388567 0.50492157872145 15.999 > 1 11 O 0.57761318795809 0.72009394388567 0.50492157872145 15.999 > 1 12 O 0.91094652129143 0.72009394388567 0.50492157872145 15.999 > 1 13 O 0.08905347870857 0.22009394388567 0.24507842127855 15.999 > 13 14 O 0.42238681204191 0.22009394388567 0.24507842127855 15.999 > 13 15 O 0.75572014537524 0.22009394388567 0.24507842127855 15.999 > 13 16 O 0.08905347870857 0.72009394388567 0.24507842127855 15.999 > 13 17 O 0.42238681204191 0.72009394388567 0.24507842127855 15.999 > 13 18 O 0.75572014537524 0.72009394388567 0.24507842127855 15.999 > 13 19 O 0.08905347870857 0.22009394388567 0.74507842127855 15.999 > 13 20 O 0.42238681204191 0.22009394388567 0.74507842127855 15.999 > 13 21 O 0.75572014537524 0.22009394388567 0.74507842127855 15.999 > 13 22 O 0.08905347870857 0.72009394388567 0.74507842127855 15.999 > 13 23 O 0.42238681204191 0.72009394388567 0.74507842127855 15.999 > 13 24 O 0.75572014537524 0.72009394388567 0.74507842127855 15.999 > 13 25 O 0.08905347870857 0.27990605611433 0.49507842127855 15.999 > 25 26 O 0.42238681204191 0.27990605611433 0.49507842127855 15.999 > 25 27 O 0.75572014537524 0.27990605611433 0.49507842127855 15.999 > 25 28 O 0.08905347870857 0.77990605611433 0.49507842127855 15.999 > 25 29 O 0.42238681204191 0.77990605611433 0.49507842127855 15.999 > 25 30 O 0.75572014537524 0.77990605611433 0.49507842127855 15.999 > 25 31 O 0.08905347870857 0.27990605611433 0.99507842127855 15.999 > 25 32 O 0.42238681204191 0.27990605611433 0.99507842127855 15.999 > 25 33 O 0.75572014537524 0.27990605611433 0.99507842127855 15.999 > 25 34 O 0.08905347870857 0.77990605611433 0.99507842127855 15.999 > 25 35 O 0.42238681204191 0.77990605611433 0.99507842127855 15.999 > 25 36 O 0.75572014537524 0.77990605611433 0.99507842127855 15.999 > 25 37 O 0.24427985462476 0.27990605611433 0.25492157872145 15.999 > 37 38 O 0.57761318795809 0.27990605611433 0.25492157872145 15.999 > 37 39 O 0.91094652129143 0.27990605611433 0.25492157872145 15.999 > 37 40 O 0.24427985462476 0.77990605611433 0.25492157872145 15.999 > 37 41 O 0.57761318795809 0.77990605611433 0.25492157872145 15.999 > 37 42 O 0.91094652129143 0.77990605611433 0.25492157872145 15.999 > 37 43 O 0.24427985462476 0.27990605611433 0.75492157872145 15.999 > 37 44 O 0.57761318795809 0.27990605611433 0.75492157872145 15.999 > 37 45 O 0.91094652129143 0.27990605611433 0.75492157872145 15.999 > 37 46 O 0.24427985462476 0.77990605611433 0.75492157872145 15.999 > 37 47 O 0.57761318795809 0.77990605611433 0.75492157872145 15.999 > 37 48 O 0.91094652129143 0.77990605611433 0.75492157872145 15.999 > 37 49 O 0.08346909612913 0.45973416292259 0.30035066743942 15.999 > 49 50 O 0.41680242946246 0.45973416292259 0.30035066743942 15.999 > 49 51 O 0.75013576279579 0.45973416292259 0.30035066743942 15.999 > 49 52 O 0.08346909612913 0.95973416292259 0.30035066743942 15.999 > 49 53 O 0.41680242946246 0.95973416292259 0.30035066743942 15.999 > 49 54 O 0.75013576279579 0.95973416292259 0.30035066743942 15.999 > 49 55 O 0.08346909612913 0.45973416292259 0.80035066743942 15.999 > 49 56 O 0.41680242946246 0.45973416292259 0.80035066743942 15.999 > 49 57 O 0.75013576279579 0.45973416292259 0.80035066743942 15.999 > 49 58 O 0.08346909612913 0.95973416292259 0.80035066743942 15.999 > 49 59 O 0.41680242946246 0.95973416292259 0.80035066743942 15.999 > 49 60 O 0.75013576279579 0.95973416292259 0.80035066743942 15.999 > 49 61 O 0.24986423720421 0.45973416292259 0.44964933256058 15.999 > 61 62 O 0.58319757053754 0.45973416292259 0.44964933256058 15.999 > 61 63 O 0.91653090387087 0.45973416292259 0.44964933256058 15.999 > 61 64 O 0.24986423720421 0.95973416292259 0.44964933256058 15.999 > 61 65 O 0.58319757053754 0.95973416292259 0.44964933256058 15.999 > 61 66 O 0.91653090387087 0.95973416292259 0.44964933256058 15.999 > 61 67 O 0.24986423720421 0.45973416292259 0.94964933256058 15.999 > 61 68 O 0.58319757053754 0.45973416292259 0.94964933256058 15.999 > 61 69 O 0.91653090387087 0.45973416292259 0.94964933256058 15.999 > 61 70 O 0.24986423720421 0.95973416292259 0.94964933256058 15.999 > 61 71 O 0.58319757053754 0.95973416292259 0.94964933256058 15.999 > 61 72 O 0.91653090387087 0.95973416292259 0.94964933256058 15.999 > 61 73 O 0.24986423720421 0.04026583707741 0.19964933256058 15.999 > 73 74 O 0.58319757053754 0.04026583707741 0.19964933256058 15.999 > 73 75 O 0.91653090387087 0.04026583707741 0.19964933256058 15.999 > 73 76 O 0.24986423720421 0.54026583707741 0.19964933256058 15.999 > 73 77 O 0.58319757053754 0.54026583707741 0.19964933256058 15.999 > 73 78 O 0.91653090387087 0.54026583707741 0.19964933256058 15.999 > 73 79 O 0.24986423720421 0.04026583707741 0.69964933256058 15.999 > 73 80 O 0.58319757053754 0.04026583707741 0.69964933256058 15.999 > 73 81 O 0.91653090387087 0.04026583707741 0.69964933256058 15.999 > 73 82 O 0.24986423720421 0.54026583707741 0.69964933256058 15.999 > 73 83 O 0.58319757053754 0.54026583707741 0.69964933256058 15.999 > 73 84 O 0.91653090387087 0.54026583707741 0.69964933256058 15.999 > 73 85 O 0.08346909612913 0.04026583707741 0.05035066743942 15.999 > 85 86 O 0.41680242946246 0.04026583707741 0.05035066743942 15.999 > 85 87 O 0.75013576279579 0.04026583707741 0.05035066743942 15.999 > 85 88 O 0.08346909612913 0.54026583707741 0.05035066743942 15.999 > 85 89 O 0.41680242946246 0.54026583707741 0.05035066743942 15.999 > 85 90 O 0.75013576279579 0.54026583707741 0.05035066743942 15.999 > 85 91 O 0.08346909612913 0.04026583707741 0.55035066743942 15.999 > 85 92 O 0.41680242946246 0.04026583707741 0.55035066743942 15.999 > 85 93 O 0.75013576279579 0.04026583707741 0.55035066743942 15.999 > 85 94 O 0.08346909612913 0.54026583707741 0.55035066743942 15.999 > 85 95 O 0.41680242946246 0.54026583707741 0.55035066743942 15.999 > 85 96 O 0.75013576279579 0.54026583707741 0.55035066743942 15.999 > 85 97 Tb 0.00000000000000 0.11759771429342 0.37500000000000 158.925 > 97 98 Tb 0.33333333333333 0.11759771429342 0.37500000000000 158.925 > 97 99 Tb 0.66666666666667 0.11759771429342 0.37500000000000 158.925 > 97 100 Tb 0.00000000000000 0.61759771429342 0.37500000000000 158.925 > 97 101 Tb 0.33333333333333 0.61759771429342 0.37500000000000 158.925 > 97 102 Tb 0.66666666666667 0.61759771429342 0.37500000000000 158.925 > 97 103 Tb 0.00000000000000 0.11759771429342 0.87500000000000 158.925 > 97 104 Tb 0.33333333333333 0.11759771429342 0.87500000000000 158.925 > 97 105 Tb 0.66666666666667 0.11759771429342 0.87500000000000 158.925 > 97 106 Tb 0.00000000000000 0.61759771429342 0.87500000000000 158.925 > 97 107 Tb 0.33333333333333 0.61759771429342 0.87500000000000 158.925 > 97 108 Tb 0.66666666666667 0.61759771429342 0.87500000000000 158.925 > 97 109 Tb 0.00000000000000 0.38240228570658 0.12500000000000 158.925 > 109 110 Tb 0.33333333333333 0.38240228570658 0.12500000000000 158.925 > 109 111 Tb 0.66666666666667 0.38240228570658 0.12500000000000 158.925 > 109 112 Tb 0.00000000000000 0.88240228570658 0.12500000000000 158.925 > 109 113 Tb 0.33333333333333 0.88240228570658 0.12500000000000 158.925 > 109 114 Tb 0.66666666666667 0.88240228570658 0.12500000000000 158.925 > 109 115 Tb 0.00000000000000 0.38240228570658 0.62500000000000 158.925 > 109 116 Tb 0.33333333333333 0.38240228570658 0.62500000000000 158.925 > 109 117 Tb 0.66666666666667 0.38240228570658 0.62500000000000 158.925 > 109 118 Tb 0.00000000000000 0.88240228570658 0.62500000000000 158.925 > 109 119 Tb 0.33333333333333 0.88240228570658 0.62500000000000 158.925 > 109 120 Tb 0.66666666666667 0.88240228570658 0.62500000000000 158.925 > 109 121 Ta 0.16666666666667 0.15302631191130 0.12500000000000 180.948 > 121 122 Ta 0.50000000000000 0.15302631191130 0.12500000000000 180.948 > 121 123 Ta 0.83333333333333 0.15302631191130 0.12500000000000 180.948 > 121 124 Ta 0.16666666666667 0.65302631191130 0.12500000000000 180.948 > 121 125 Ta 0.50000000000000 0.65302631191130 0.12500000000000 180.948 > 121 126 Ta 0.83333333333333 0.65302631191130 0.12500000000000 180.948 > 121 127 Ta 0.16666666666667 0.15302631191130 0.62500000000000 180.948 > 121 128 Ta 0.50000000000000 0.15302631191130 0.62500000000000 180.948 > 121 129 Ta 0.83333333333333 0.15302631191130 0.62500000000000 180.948 > 121 130 Ta 0.16666666666667 0.65302631191130 0.62500000000000 180.948 > 121 131 Ta 0.50000000000000 0.65302631191130 0.62500000000000 180.948 > 121 132 Ta 0.83333333333333 0.65302631191130 0.62500000000000 180.948 > 121 133 Ta 0.16666666666667 0.34697368808870 0.37500000000000 180.948 > 133 134 Ta 0.50000000000000 0.34697368808870 0.37500000000000 180.948 > 133 135 Ta 0.83333333333333 0.34697368808870 0.37500000000000 180.948 > 133 136 Ta 0.16666666666667 0.84697368808870 0.37500000000000 180.948 > 133 137 Ta 0.50000000000000 0.84697368808870 0.37500000000000 180.948 > 133 138 Ta 0.83333333333333 0.84697368808870 0.37500000000000 180.948 > 133 139 Ta 0.16666666666667 0.34697368808870 0.87500000000000 180.948 > 133 140 Ta 0.50000000000000 0.34697368808870 0.87500000000000 180.948 > 133 141 Ta 0.83333333333333 0.34697368808870 0.87500000000000 180.948 > 133 142 Ta 0.16666666666667 0.84697368808870 0.87500000000000 180.948 > 133 143 Ta 0.50000000000000 0.84697368808870 0.87500000000000 180.948 > 133 144 Ta 0.83333333333333 0.84697368808870 0.87500000000000 180.948 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9152169 0.0000000 0.2132128 0.0000000 4.6668556 0.0000000 0.2132120 0.0000000 4.6721587 -------------------------- Born effective charges -------------------------- 1 O -2.5535117 -0.1065396 0.5403794 -0.0127018 -2.1173523 0.5195267 0.5612946 0.5018533 -2.5734583 2 O -2.5535117 0.1065396 0.5403794 0.0127018 -2.1173523 -0.5195267 0.5612946 -0.5018533 -2.5734583 3 O -2.5535117 -0.1065396 0.5403794 -0.0127018 -2.1173523 0.5195267 0.5612946 0.5018533 -2.5734583 4 O -2.5535117 0.1065396 0.5403794 0.0127018 -2.1173523 -0.5195267 0.5612946 -0.5018533 -2.5734583 5 O -2.5972591 1.1075507 -0.8363892 1.1647807 -2.6228271 0.2804052 -0.9183891 0.2762853 -2.1469029 6 O -2.5972591 -1.1075507 -0.8363892 -1.1647807 -2.6228271 -0.2804052 -0.9183891 -0.2762853 -2.1469029 7 O -2.5972591 1.1075507 -0.8363892 1.1647807 -2.6228271 0.2804052 -0.9183891 0.2762853 -2.1469029 8 O -2.5972591 -1.1075507 -0.8363892 -1.1647807 -2.6228271 -0.2804052 -0.9183891 -0.2762853 -2.1469029 9 Tb 4.7208190 0.0000000 0.1713804 0.0000000 3.9287867 0.0000000 0.1986414 0.0000000 4.1110276 10 Tb 4.7208190 0.0000000 0.1713804 0.0000000 3.9287867 0.0000000 0.1986414 0.0000000 4.1110276 11 Ta 5.5807226 0.0000000 0.4206393 0.0000000 5.5515722 0.0000000 0.5155477 0.0000000 5.3296949 12 Ta 5.5807226 0.0000000 0.4206393 0.0000000 5.5515722 0.0000000 0.5155477 0.0000000 5.3296949 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (yyy) -0.00000004 (yyy) -0.00000004 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 9 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.79, Number of G-points: 295, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/230) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 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 3.298 ( 0.000 0.000 0.000) 0.000 3.470 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 4.261 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.417 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.767 ( 0.000 0.000 0.000) 0.000 6.873 ( 0.000 0.000 0.000) 0.000 7.830 ( 0.000 0.000 0.000) 0.000 7.980 ( 0.000 0.000 0.000) 0.000 8.213 ( 0.000 0.000 0.000) 0.000 8.228 ( 0.000 0.000 0.000) 0.000 9.255 ( 0.000 0.000 0.000) 0.000 9.532 ( 0.000 0.000 0.000) 0.000 10.261 ( 0.000 0.000 0.000) 0.000 11.299 ( 0.000 0.000 0.000) 0.000 12.125 ( 0.000 0.000 0.000) 0.000 12.248 ( 0.000 0.000 0.000) 0.000 12.523 ( 0.000 0.000 0.000) 0.000 14.851 ( 0.000 0.000 0.000) 0.000 14.885 ( 0.000 0.000 0.000) 0.000 15.980 ( 0.000 0.000 0.000) 0.000 16.010 ( 0.000 0.000 0.000) 0.000 18.314 ( 0.000 0.000 0.000) 0.000 19.470 ( 0.000 0.000 0.000) 0.000 19.675 ( 0.000 0.000 0.000) 0.000 19.687 ( 0.000 0.000 0.000) 0.000 20.678 ( 0.000 0.000 0.000) 0.000 23.513 ( 0.000 0.000 0.000) 0.000 24.074 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/230) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 26.675 0.000 11.818) 29.176 0.565 ( 28.668 0.000 0.217) 28.669 1.158 ( 56.634 0.000 15.871) 58.816 3.342 ( 3.163 0.000 8.200) 8.789 3.468 ( -0.333 0.000 -1.761) 1.792 3.749 ( 2.093 0.000 2.264) 3.084 4.154 ( -9.545 0.000 1.879) 9.728 4.296 ( 0.452 0.000 -0.307) 0.547 4.454 ( 3.895 0.000 -11.228) 11.885 5.086 ( 1.430 0.000 4.192) 4.429 5.315 ( 2.054 0.000 3.624) 4.166 5.399 ( 0.041 0.000 4.558) 4.558 6.858 ( -1.091 0.000 -2.900) 3.099 7.181 ( 2.188 0.000 -48.685) 48.734 7.854 ( 1.629 0.000 1.270) 2.065 7.955 ( -2.871 0.000 -2.117) 3.567 8.151 ( -5.669 0.000 -4.147) 7.024 8.221 ( -0.324 0.000 -2.859) 2.877 9.494 ( -2.768 0.000 5.823) 6.448 10.353 ( 8.426 0.000 -4.428) 9.519 11.031 ( -20.881 0.000 178.989) 180.203 11.310 ( 1.399 0.000 -0.850) 1.637 12.122 ( -5.109 0.000 4.368) 6.721 12.359 ( 10.995 0.000 -38.010) 39.568 12.607 ( 8.292 0.000 1.420) 8.412 14.833 ( -1.787 0.000 -0.544) 1.868 14.895 ( 0.902 0.000 0.296) 0.950 15.953 ( -5.705 0.000 -0.721) 5.750 16.980 ( 17.851 0.000 -100.755) 102.324 18.329 ( 0.695 0.000 7.531) 7.563 19.415 ( -5.890 0.000 0.415) 5.905 19.627 ( -4.859 0.000 -0.121) 4.861 20.565 ( -9.939 0.000 -7.153) 12.245 23.589 ( 7.080 0.000 1.648) 7.269 23.946 ( -9.302 0.000 28.330) 29.818 24.164 ( 2.969 0.000 18.349) 18.588 ======================= Grid point 2 (3/230) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 24.602 0.000 10.892) 26.906 1.116 ( 27.666 0.000 0.240) 27.667 2.269 ( 52.922 0.000 14.911) 54.983 3.423 ( -4.157 0.000 -4.683) 6.262 3.440 ( 3.629 0.000 12.884) 13.385 3.775 ( -3.855 0.000 5.670) 6.856 3.959 ( -6.821 0.000 -2.297) 7.198 4.329 ( 3.597 0.000 -1.075) 3.754 4.508 ( 5.027 0.000 -13.323) 14.240 5.120 ( 1.114 0.000 -2.324) 2.577 5.379 ( 3.253 0.000 4.235) 5.340 5.421 ( 0.662 0.000 8.576) 8.601 6.820 ( -1.758 0.000 -4.564) 4.891 7.076 ( -4.301 0.000 -22.128) 22.542 7.856 ( -3.504 0.000 5.267) 6.326 7.864 ( -5.897 0.000 -2.023) 6.234 7.988 ( -8.595 0.000 -7.777) 11.591 8.204 ( -0.571 0.000 -4.180) 4.219 9.521 ( 5.138 0.000 4.437) 6.789 10.509 ( 7.648 0.000 -4.967) 9.120 11.048 ( -8.240 0.000 78.097) 78.531 11.353 ( 3.261 0.000 -1.132) 3.452 12.055 ( -4.287 0.000 15.937) 16.503 12.485 ( 9.701 0.000 -26.633) 28.345 12.847 ( 15.446 0.000 3.128) 15.760 14.780 ( -3.388 0.000 -0.917) 3.510 14.912 ( 0.242 0.000 0.350) 0.426 15.791 ( -10.170 0.000 -1.115) 10.231 17.136 ( 15.379 0.000 -46.155) 48.649 18.380 ( 2.122 0.000 13.101) 13.271 19.236 ( -12.704 0.000 1.206) 12.761 19.494 ( -8.405 0.000 0.125) 8.406 20.304 ( -13.011 0.000 -12.920) 18.336 23.770 ( 10.218 0.000 2.347) 10.484 23.826 ( -7.749 0.000 12.753) 14.923 24.262 ( 3.717 0.000 9.234) 9.954 ======================= Grid point 3 (4/230) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 21.973 0.000 9.846) 24.078 1.641 ( 25.907 0.000 0.203) 25.908 3.169 ( 10.669 0.000 4.343) 11.519 3.375 ( 25.452 0.000 1.445) 25.493 3.451 ( -11.470 0.000 5.134) 12.567 3.624 ( -2.665 0.000 7.926) 8.362 3.942 ( 0.872 0.000 2.632) 2.773 4.440 ( 7.840 0.000 -1.093) 7.916 4.603 ( 7.851 0.000 -12.022) 14.359 5.103 ( -2.187 0.000 -4.349) 4.868 5.447 ( -1.269 0.000 10.373) 10.450 5.451 ( 2.940 0.000 2.903) 4.132 6.772 ( -2.052 0.000 -3.915) 4.420 6.920 ( -6.651 0.000 -15.473) 16.842 7.713 ( -10.653 0.000 2.911) 11.043 7.725 ( -7.420 0.000 -1.427) 7.556 7.833 ( -6.062 0.000 -3.355) 6.928 8.182 ( -0.570 0.000 -3.624) 3.669 9.704 ( 11.821 0.000 0.420) 11.828 10.609 ( 3.634 0.000 -3.620) 5.129 11.075 ( -3.200 0.000 40.068) 40.196 11.425 ( 4.031 0.000 -0.974) 4.147 12.021 ( -3.020 0.000 14.541) 14.851 12.614 ( 8.745 0.000 -17.156) 19.256 13.215 ( 20.966 0.000 4.721) 21.491 14.702 ( -4.204 0.000 -0.997) 4.321 14.865 ( -6.594 0.000 -0.981) 6.666 15.588 ( -8.980 0.000 -0.480) 8.993 17.344 ( 13.805 0.000 -25.505) 29.001 18.472 ( 3.636 0.000 14.897) 15.335 18.940 ( -16.769 0.000 1.328) 16.822 19.316 ( -9.371 0.000 0.706) 9.398 20.040 ( -10.048 0.000 -14.860) 17.939 23.709 ( -6.352 0.000 6.634) 9.185 23.971 ( 9.246 0.000 2.099) 9.481 24.349 ( 3.244 0.000 5.533) 6.414 ======================= Grid point 4 (5/230) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 17.860 0.000 8.181) 19.644 2.120 ( 22.586 0.000 0.142) 22.587 2.973 ( -13.253 0.000 -6.453) 14.740 3.118 ( -18.885 0.000 -0.067) 18.885 3.674 ( 2.270 0.000 7.595) 7.927 3.945 ( -0.980 0.000 1.527) 1.814 4.150 ( 35.189 0.000 9.383) 36.418 4.610 ( 9.225 0.000 -1.701) 9.381 4.738 ( 7.147 0.000 -6.641) 9.756 5.013 ( -5.864 0.000 -6.593) 8.824 5.384 ( -7.955 0.000 9.890) 12.692 5.498 ( 1.339 0.000 1.301) 1.867 6.727 ( -2.023 0.000 0.632) 2.119 6.770 ( -4.429 0.000 -13.154) 13.879 7.531 ( -7.253 0.000 0.800) 7.297 7.592 ( -5.340 0.000 -0.444) 5.358 7.721 ( -4.547 0.000 -0.392) 4.564 8.167 ( -0.334 0.000 -1.976) 2.004 9.925 ( 9.424 0.000 -1.325) 9.517 10.644 ( 0.944 0.000 -1.517) 1.787 11.106 ( -0.768 0.000 17.660) 17.677 11.491 ( 2.614 0.000 -0.579) 2.677 12.000 ( -1.815 0.000 7.826) 8.034 12.732 ( 5.835 0.000 -7.930) 9.845 13.671 ( 24.075 0.000 5.413) 24.676 14.610 ( -18.492 0.000 -3.468) 18.814 14.624 ( -3.173 0.000 -0.682) 3.245 15.479 ( -2.403 0.000 0.484) 2.452 17.528 ( 8.824 0.000 -12.153) 15.019 18.575 ( 3.130 0.000 11.256) 11.683 18.645 ( -11.933 0.000 0.133) 11.934 19.155 ( -6.580 0.000 0.914) 6.643 19.855 ( -5.562 0.000 -10.592) 11.964 23.619 ( -3.711 0.000 2.840) 4.673 24.122 ( 5.383 0.000 1.214) 5.518 24.410 ( 1.900 0.000 2.746) 3.339 ======================= Grid point 5 (6/230) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -0.000 0.000 -0.000) 0.000 2.423 ( -0.000 0.000 -0.000) 0.000 2.786 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 -0.000) 0.000 3.932 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 -0.000) 0.000 4.808 ( 0.000 0.000 -0.000) 0.000 4.808 ( 0.000 0.000 -0.000) 0.000 4.823 ( 0.000 0.000 -0.000) 0.000 5.267 ( 0.000 0.000 -0.000) 0.000 5.512 ( 0.000 0.000 -0.000) 0.000 6.706 ( -0.000 0.000 0.000) 0.000 6.709 ( 0.000 0.000 -0.000) 0.000 7.458 ( 0.000 0.000 -0.000) 0.000 7.536 ( 0.000 0.000 -0.000) 0.000 7.673 ( 0.000 0.000 -0.000) 0.000 8.161 ( 0.000 0.000 -0.000) 0.000 10.022 ( 0.000 0.000 0.000) 0.000 10.650 ( 0.000 0.000 -0.000) 0.000 11.121 ( 0.000 0.000 -0.000) 0.000 11.517 ( 0.000 0.000 0.000) 0.000 11.991 ( 0.000 0.000 -0.000) 0.000 12.784 ( 0.000 0.000 0.000) 0.000 14.110 ( 0.000 0.000 0.000) 0.000 14.223 ( -0.000 0.000 -0.000) 0.000 14.590 ( 0.000 0.000 0.000) 0.000 15.462 ( 0.000 0.000 -0.000) 0.000 17.604 ( 0.000 0.000 0.000) 0.000 18.520 ( 0.000 0.000 0.000) 0.000 18.626 ( 0.000 0.000 -0.000) 0.000 19.088 ( 0.000 0.000 -0.000) 0.000 19.785 ( 0.000 0.000 0.000) 0.000 23.585 ( 0.000 0.000 -0.000) 0.000 24.177 ( 0.000 0.000 -0.000) 0.000 24.432 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/230) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 0.000 26.211 0.000) 26.211 0.600 ( 0.000 28.901 0.000) 28.901 0.991 ( 0.000 47.418 0.000) 47.418 3.252 ( 0.000 -4.488 0.000) 4.488 3.512 ( 0.000 4.003 0.000) 4.003 3.727 ( 0.000 -0.875 0.000) 0.875 4.227 ( 0.000 -2.984 0.000) 2.984 4.415 ( 0.000 -1.294 0.000) 1.294 4.516 ( 0.000 6.918 0.000) 6.918 4.830 ( 0.000 -3.275 0.000) 3.275 5.410 ( 0.000 1.128 0.000) 1.128 5.420 ( 0.000 7.884 0.000) 7.884 5.832 ( 0.000 7.714 0.000) 7.714 6.958 ( 0.000 7.836 0.000) 7.836 7.997 ( 0.000 2.009 0.000) 2.009 8.195 ( 0.000 -2.666 0.000) 2.666 8.265 ( 0.000 4.716 0.000) 4.716 8.609 ( 0.000 -2.575 0.000) 2.575 9.296 ( 0.000 4.219 0.000) 4.219 9.614 ( 0.000 3.126 0.000) 3.126 10.244 ( 0.000 -1.789 0.000) 1.789 11.898 ( 0.000 -17.396 0.000) 17.396 12.275 ( 0.000 2.883 0.000) 2.883 12.679 ( 0.000 10.567 0.000) 10.567 13.861 ( 0.000 -3.676 0.000) 3.676 14.861 ( 0.000 -2.319 0.000) 2.319 14.914 ( 0.000 5.287 0.000) 5.287 15.959 ( 0.000 -1.902 0.000) 1.902 16.029 ( 0.000 -11.567 0.000) 11.567 19.447 ( 0.000 -1.953 0.000) 1.953 19.714 ( 0.000 2.319 0.000) 2.319 19.727 ( 0.000 4.894 0.000) 4.894 20.673 ( 0.000 -0.492 0.000) 0.492 21.032 ( 0.000 -5.389 0.000) 5.389 24.103 ( 0.000 2.747 0.000) 2.747 24.566 ( 0.000 -0.635 0.000) 0.635 ======================= Grid point 12 (8/230) ======================= q-point: ( 0.10 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 14.491 19.943 8.350) 26.028 0.869 ( 22.624 18.440 8.305) 30.346 1.500 ( 41.537 29.125 6.320) 51.123 3.297 ( 3.153 -4.365 8.043) 9.679 3.499 ( -1.062 3.108 -2.251) 3.982 3.760 ( 2.952 -0.381 0.695) 3.056 4.147 ( -9.584 -0.885 2.701) 9.997 4.332 ( 1.258 2.790 -6.253) 6.962 4.520 ( 0.510 6.142 -3.804) 7.243 4.959 ( 4.873 -7.316 3.679) 9.529 5.378 ( -2.066 1.891 -0.696) 2.886 5.547 ( 4.058 12.368 7.195) 14.873 6.419 ( 34.542 -29.761 -10.100) 46.700 6.941 ( -1.458 7.516 -2.381) 8.018 7.961 ( -4.226 2.151 2.625) 5.420 8.094 ( -10.239 1.508 -2.169) 10.575 8.188 ( -6.626 5.664 0.159) 8.718 8.413 ( -1.141 10.636 -19.544) 22.280 9.526 ( -3.500 2.733 6.041) 7.498 9.940 ( 29.022 -25.696 50.605) 63.745 10.357 ( 10.498 -0.572 -3.599) 11.112 11.939 ( 2.638 -13.889 11.508) 18.229 12.218 ( -7.068 4.238 -0.673) 8.269 12.730 ( 0.704 12.231 12.103) 17.221 12.977 ( -42.220 41.543 7.459) 59.699 14.804 ( -3.478 -2.198 -3.556) 5.438 14.927 ( 1.784 2.857 2.901) 4.445 15.889 ( -7.177 -6.994 0.058) 10.021 16.529 ( 32.299 -24.089 -48.662) 63.179 18.808 ( -26.386 23.949 -16.756) 39.377 19.411 ( -7.202 0.593 0.009) 7.226 19.694 ( -4.233 6.040 -0.286) 7.381 20.557 ( -9.972 -0.750 -6.575) 11.968 22.406 ( 55.869 -53.699 33.475) 84.413 24.068 ( -3.635 3.062 0.327) 4.764 24.455 ( -7.461 7.357 7.122) 12.669 ======================= Grid point 13 (9/230) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 22.729 8.703 7.003) 25.326 1.345 ( 23.835 14.583 4.455) 28.295 2.407 ( 46.173 12.812 11.544) 49.289 3.380 ( 1.304 -4.022 8.289) 9.305 3.457 ( -2.114 1.863 0.107) 2.819 3.818 ( -0.343 2.808 3.403) 4.425 3.935 ( -9.217 -2.085 -1.807) 9.621 4.388 ( 5.154 4.574 -3.798) 7.869 4.529 ( 2.166 2.861 -7.428) 8.249 5.050 ( 3.981 -5.253 -0.372) 6.602 5.337 ( -1.893 0.750 1.061) 2.296 5.633 ( 2.895 13.019 8.265) 15.690 6.791 ( 9.401 -20.193 -15.854) 27.340 6.893 ( -2.583 6.419 -2.662) 7.413 7.836 ( -9.021 2.270 5.879) 11.005 7.906 ( -8.344 2.064 1.651) 8.752 8.064 ( -5.354 6.802 -7.022) 11.146 8.383 ( -0.825 10.801 -10.248) 14.912 9.526 ( 4.027 0.248 4.206) 5.829 10.438 ( 12.675 -13.415 21.431) 28.283 10.604 ( 13.463 -7.204 14.186) 20.843 11.939 ( -17.330 20.035 11.068) 28.710 12.049 ( 2.492 -4.579 17.296) 18.065 12.509 ( -3.539 13.229 -9.550) 16.696 12.952 ( 12.338 7.667 -1.245) 14.579 14.721 ( -4.349 -4.440 -3.217) 6.998 14.965 ( 0.888 3.775 2.354) 4.537 15.700 ( -11.289 -8.991 -1.437) 14.503 16.954 ( 23.250 -13.402 -34.216) 43.485 18.543 ( -4.558 11.547 3.264) 12.836 19.209 ( -13.545 -1.314 1.815) 13.729 19.569 ( -8.494 6.412 0.053) 10.643 20.294 ( -13.256 -0.902 -12.469) 18.221 23.173 ( 22.791 -36.202 18.535) 46.621 23.985 ( -3.710 3.972 -0.082) 5.435 24.382 ( -2.190 5.974 5.698) 8.541 ======================= Grid point 14 (10/230) ======================= q-point: ( 0.30 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 23.362 4.946 7.316) 24.975 1.808 ( 22.709 11.994 1.438) 25.722 3.174 ( 8.687 0.367 3.021) 9.204 3.366 ( 5.904 -1.928 4.656) 7.762 3.471 ( 8.670 2.535 5.370) 10.509 3.666 ( -5.373 3.824 5.788) 8.775 3.920 ( 1.243 -1.376 0.776) 2.010 4.509 ( 8.057 4.728 -5.540) 10.861 4.593 ( 6.194 0.238 -4.458) 7.636 5.090 ( 0.053 -2.062 -3.791) 4.315 5.317 ( -0.782 -1.870 3.440) 3.993 5.685 ( 0.081 11.765 7.103) 13.743 6.802 ( -2.072 -4.182 -14.168) 14.917 6.844 ( -2.233 0.264 -3.245) 3.948 7.664 ( -9.501 1.801 3.514) 10.289 7.762 ( -6.817 0.990 5.532) 8.835 7.948 ( -4.747 10.961 -8.200) 14.488 8.318 ( -3.420 8.719 -5.023) 10.628 9.703 ( 12.344 -0.340 0.252) 12.352 10.619 ( 4.896 0.189 0.669) 4.945 10.880 ( 8.809 -9.272 24.850) 27.948 11.675 ( -10.041 14.597 1.171) 17.755 12.131 ( 0.069 8.119 21.994) 23.445 12.529 ( 6.756 -4.917 -17.221) 19.141 13.250 ( 17.703 2.687 3.290) 18.205 14.614 ( -6.047 -6.820 -2.607) 9.480 14.935 ( -5.627 5.096 0.375) 7.601 15.487 ( -8.503 -9.402 -0.660) 12.694 17.308 ( 19.798 -2.828 -23.264) 30.679 18.538 ( 0.839 5.518 11.643) 12.911 18.915 ( -15.805 -1.793 1.646) 15.992 19.371 ( -11.378 4.932 1.169) 12.456 20.024 ( -10.520 -1.558 -14.603) 18.065 23.489 ( 6.519 -19.257 11.832) 23.522 23.974 ( 3.869 -0.051 -1.416) 4.120 24.366 ( -1.206 1.136 3.943) 4.277 ======================= Grid point 15 (11/230) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 20.303 5.678 8.243) 22.636 2.233 ( 20.491 9.260 -1.594) 22.543 2.994 ( -13.213 1.931 -5.002) 14.260 3.122 ( -18.198 -0.401 0.363) 18.206 3.673 ( 2.354 0.202 8.077) 8.416 3.887 ( -0.688 -4.915 -0.195) 4.967 4.143 ( 29.984 0.074 9.602) 31.484 4.653 ( 7.575 1.867 -10.845) 13.360 4.729 ( 6.469 0.420 3.983) 7.608 5.030 ( -4.672 0.871 -6.862) 8.348 5.308 ( -1.497 -1.661 5.603) 6.033 5.654 ( -4.223 9.038 3.591) 10.603 6.726 ( -1.840 -1.789 -10.536) 10.844 6.780 ( -3.236 2.924 -0.731) 4.422 7.505 ( -6.588 3.931 1.547) 7.826 7.675 ( -3.305 -0.081 4.657) 5.711 7.847 ( -3.562 15.963 -5.479) 17.249 8.250 ( -2.293 5.395 -2.098) 6.226 9.947 ( 11.113 1.725 -1.373) 11.330 10.659 ( -0.077 1.392 -0.881) 1.649 11.059 ( 4.539 -3.065 16.874) 17.741 11.540 ( -4.066 5.093 -3.322) 7.314 12.157 ( -0.942 13.082 11.164) 17.224 12.637 ( 6.107 -8.777 -8.638) 13.746 13.645 ( 21.180 -2.665 4.800) 21.880 14.445 ( -12.182 -9.820 -2.600) 15.862 14.757 ( -9.437 6.739 -1.699) 11.720 15.398 ( -1.414 -7.352 0.602) 7.511 17.595 ( 12.982 5.952 -13.576) 19.704 18.584 ( 0.049 1.067 11.006) 11.058 18.658 ( -9.323 1.109 1.375) 9.489 19.167 ( -8.558 1.118 0.889) 8.677 19.829 ( -6.070 -2.492 -10.471) 12.357 23.542 ( -0.858 -7.088 4.857) 8.636 24.107 ( 8.106 -4.245 -0.437) 9.161 24.337 ( -2.795 -4.113 2.419) 5.530 ======================= Grid point 16 (12/230) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 0.000 9.479 -0.000) 9.479 2.510 ( 0.000 6.788 0.000) 6.788 2.815 ( 0.000 3.120 0.000) 3.120 2.837 ( -0.000 -1.955 0.000) 1.955 3.717 ( 0.000 1.290 -0.000) 1.290 3.860 ( 0.000 -6.456 0.000) 6.456 4.550 ( 0.000 -2.745 0.000) 2.745 4.691 ( -0.000 -6.994 -0.000) 6.994 4.813 ( 0.000 1.514 -0.000) 1.514 4.931 ( 0.000 5.282 -0.000) 5.282 5.294 ( 0.000 2.849 -0.000) 2.849 5.597 ( 0.000 6.054 -0.000) 6.054 6.696 ( 0.000 -0.717 0.000) 0.717 6.741 ( 0.000 3.501 0.000) 3.501 7.439 ( 0.000 4.995 0.000) 4.995 7.650 ( 0.000 -1.013 -0.000) 1.013 7.802 ( 0.000 18.989 0.000) 18.989 8.225 ( 0.000 3.965 -0.000) 3.965 10.066 ( -0.000 3.873 0.000) 3.873 10.648 ( 0.000 -0.123 -0.000) 0.123 11.127 ( 0.000 0.725 0.000) 0.725 11.495 ( 0.000 0.353 0.000) 0.353 12.160 ( 0.000 13.778 0.000) 13.778 12.691 ( 0.000 -8.782 -0.000) 8.782 14.017 ( 0.000 -8.586 -0.000) 8.586 14.159 ( -0.000 -5.967 -0.000) 5.967 14.660 ( 0.000 6.289 -0.000) 6.289 15.391 ( 0.000 -6.493 -0.000) 6.493 17.712 ( 0.000 9.888 0.000) 9.888 18.569 ( -0.000 4.675 0.000) 4.675 18.594 ( 0.000 -2.785 -0.000) 2.785 19.081 ( 0.000 -0.932 -0.000) 0.932 19.754 ( 0.000 -3.052 -0.000) 3.052 23.534 ( 0.000 -4.244 -0.000) 4.244 24.224 ( 0.000 3.885 -0.000) 3.885 24.279 ( -0.000 -14.439 0.000) 14.439 ======================= Grid point 22 (13/230) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.000 25.179 0.000) 25.179 1.175 ( 0.000 27.035 0.000) 27.035 1.917 ( 0.000 42.315 0.000) 42.315 3.117 ( 0.000 -8.618 0.000) 8.618 3.618 ( 0.000 -10.470 0.000) 10.470 3.625 ( 0.000 6.810 0.000) 6.810 4.250 ( 0.000 5.716 0.000) 5.716 4.377 ( 0.000 -2.342 0.000) 2.342 4.656 ( 0.000 6.301 0.000) 6.301 4.805 ( 0.000 0.560 0.000) 0.560 5.413 ( 0.000 -1.529 0.000) 1.529 5.496 ( 0.000 0.023 0.000) 0.023 6.094 ( 0.000 15.527 0.000) 15.527 7.158 ( 0.000 10.681 0.000) 10.681 8.081 ( 0.000 6.499 0.000) 6.499 8.147 ( 0.000 -1.644 0.000) 1.644 8.383 ( 0.000 6.347 0.000) 6.347 8.536 ( 0.000 -4.166 0.000) 4.166 9.442 ( 0.000 10.413 0.000) 10.413 9.688 ( 0.000 3.672 0.000) 3.672 10.181 ( 0.000 -4.480 0.000) 4.480 11.495 ( 0.000 -21.317 0.000) 21.317 12.380 ( 0.000 7.782 0.000) 7.782 12.878 ( 0.000 8.422 0.000) 8.422 13.781 ( 0.000 -3.639 0.000) 3.639 14.796 ( 0.000 -3.731 0.000) 3.731 15.008 ( 0.000 1.717 0.000) 1.717 15.727 ( 0.000 -15.643 0.000) 15.643 15.908 ( 0.000 -2.957 0.000) 2.957 19.404 ( 0.000 -2.098 0.000) 2.098 19.768 ( 0.000 2.700 0.000) 2.700 19.864 ( 0.000 8.107 0.000) 8.107 20.659 ( 0.000 -0.794 0.000) 0.794 20.882 ( 0.000 -8.888 0.000) 8.888 24.178 ( 0.000 4.342 0.000) 4.342 24.545 ( 0.000 -1.450 0.000) 1.450 ======================= Grid point 23 (14/230) ======================= q-point: ( 0.10 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 6.723 25.294 5.738) 26.793 1.277 ( 14.573 20.986 6.930) 26.473 2.172 ( 23.766 33.617 0.551) 41.173 3.166 ( 3.529 -8.344 7.596) 11.822 3.599 ( -1.726 6.623 -2.725) 7.367 3.657 ( 3.844 -10.060 -2.235) 10.999 4.157 ( -10.016 1.472 4.624) 11.130 4.400 ( 4.942 4.567 -7.821) 10.318 4.668 ( -1.165 7.367 2.067) 7.739 4.853 ( 4.571 -3.043 0.433) 5.508 5.396 ( -0.870 -0.472 -1.030) 1.428 5.690 ( 11.811 -1.347 5.082) 12.929 6.203 ( 11.926 5.354 -2.217) 13.259 7.129 ( -2.763 9.971 -0.623) 10.365 8.043 ( -4.033 5.411 0.812) 6.798 8.089 ( -5.847 0.251 1.784) 6.118 8.348 ( -4.191 8.715 4.231) 10.556 8.520 ( 2.492 1.828 -14.889) 15.206 9.579 ( -7.480 1.441 5.034) 9.130 9.728 ( 20.856 0.790 23.580) 31.490 10.337 ( 13.331 -1.628 -5.193) 14.399 11.569 ( 7.162 -20.599 2.375) 21.937 12.335 ( -4.554 8.216 -1.299) 9.483 12.928 ( 4.452 8.071 2.785) 9.629 13.465 ( -27.420 10.703 10.340) 31.198 14.750 ( -4.423 -3.154 -4.666) 7.162 14.987 ( -0.078 1.100 4.484) 4.618 15.648 ( -7.524 -14.791 -1.773) 16.689 16.203 ( 26.813 -8.922 -20.505) 34.915 19.073 ( -25.139 4.037 -10.250) 27.447 19.477 ( -10.024 5.540 -8.394) 14.200 19.854 ( -4.078 9.162 0.777) 10.059 20.538 ( -10.212 -0.966 -5.493) 11.636 21.633 ( 46.660 -26.400 26.861) 59.963 24.144 ( -3.326 4.301 -0.134) 5.438 24.509 ( -3.338 -0.153 1.639) 3.722 ======================= Grid point 24 (15/230) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 14.528 18.714 4.095) 24.043 1.659 ( 20.428 15.700 6.830) 26.654 2.734 ( 30.143 16.961 4.648) 34.898 3.257 ( 2.548 -7.869 10.470) 13.343 3.543 ( -3.162 6.685 -1.140) 7.482 3.764 ( 7.257 -7.565 -3.053) 10.919 3.940 ( -11.700 1.443 1.127) 11.842 4.493 ( 5.190 6.416 -8.118) 11.576 4.631 ( -1.749 5.718 4.024) 7.207 4.954 ( 5.194 -3.618 -1.925) 6.616 5.376 ( -0.830 2.332 -0.739) 2.584 5.841 ( 2.891 4.303 6.886) 8.619 6.470 ( 13.376 -8.198 -8.215) 17.709 7.053 ( -4.719 8.407 -0.161) 9.642 7.931 ( -7.129 2.014 -0.690) 7.441 7.957 ( -7.941 7.615 8.677) 14.012 8.283 ( -2.311 13.814 -2.212) 14.180 8.527 ( -0.428 3.745 -11.453) 12.058 9.515 ( 1.967 -1.575 2.928) 3.863 10.219 ( 20.667 -4.199 26.458) 33.835 10.593 ( 12.896 0.854 -3.910) 13.503 11.774 ( 12.432 -18.431 4.838) 22.752 12.191 ( -9.790 10.709 -2.617) 14.744 12.942 ( -17.969 19.799 15.129) 30.720 13.100 ( 5.074 6.131 -4.229) 9.012 14.622 ( -7.167 -5.340 -5.235) 10.358 15.026 ( 2.051 0.612 4.743) 5.204 15.450 ( -11.403 -13.108 -3.002) 17.631 16.721 ( 30.177 -8.287 -22.013) 38.261 18.711 ( -9.886 3.510 -3.122) 10.945 19.236 ( -14.516 4.607 -0.425) 15.235 19.726 ( -9.256 8.463 1.168) 12.596 20.269 ( -14.131 -1.549 -11.475) 18.269 22.471 ( 32.400 -30.666 21.001) 49.307 24.060 ( -4.639 3.760 -1.078) 6.069 24.443 ( -3.573 0.549 2.062) 4.162 ======================= Grid point 25 (16/230) ======================= q-point: ( 0.30 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 20.062 11.492 3.332) 23.359 2.070 ( 20.036 13.089 3.616) 24.204 3.180 ( 5.760 -0.056 1.189) 5.882 3.268 ( -4.462 -6.853 6.134) 10.222 3.548 ( 6.592 2.464 5.082) 8.681 3.748 ( -2.147 4.020 3.896) 5.996 3.928 ( 7.617 2.930 -1.023) 8.225 4.532 ( 3.017 -0.153 -9.405) 9.879 4.685 ( 5.075 6.080 5.599) 9.699 5.022 ( 1.983 -3.533 -4.578) 6.113 5.364 ( -0.189 5.157 -0.369) 5.174 5.860 ( -2.485 3.610 5.754) 7.233 6.638 ( 6.495 -6.257 -12.197) 15.169 6.955 ( -5.140 6.637 1.568) 8.540 7.791 ( -6.755 1.932 2.165) 7.352 7.834 ( -6.504 13.848 8.332) 17.421 8.245 ( -0.726 16.744 -5.077) 17.512 8.435 ( -5.884 2.997 -6.761) 9.450 9.679 ( 13.326 -2.232 -0.516) 13.522 10.593 ( 11.068 -1.816 13.403) 17.477 10.813 ( 10.208 1.373 6.374) 12.113 11.941 ( -10.227 10.030 -6.873) 15.888 12.066 ( 11.292 -10.934 10.607) 18.962 12.670 ( -10.051 15.794 2.790) 18.928 13.293 ( 12.043 1.074 1.975) 12.251 14.444 ( -10.097 -10.070 -3.671) 14.725 15.044 ( -3.281 4.953 2.290) 6.367 15.242 ( -6.574 -12.790 -2.167) 14.543 17.257 ( 29.283 -1.646 -19.919) 35.454 18.626 ( -0.481 1.015 5.461) 5.575 18.923 ( -16.659 4.286 1.838) 17.299 19.496 ( -14.530 6.830 3.056) 16.343 19.976 ( -11.993 -3.064 -13.858) 18.581 23.017 ( 19.898 -24.816 15.057) 35.192 23.971 ( -3.738 -0.048 -3.037) 4.816 24.382 ( -3.226 0.324 1.931) 3.774 ======================= Grid point 26 (17/230) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 21.576 7.152 3.584) 23.011 2.445 ( 17.418 10.895 0.402) 20.549 3.018 ( -16.552 -1.881 1.048) 16.691 3.104 ( -10.743 1.050 -1.888) 10.958 3.635 ( 2.500 -6.081 5.432) 8.529 3.823 ( -0.579 0.795 0.395) 1.060 4.188 ( 18.666 4.519 9.198) 21.295 4.606 ( 4.482 -4.203 -10.364) 12.048 4.799 ( 4.583 4.028 6.028) 8.577 5.006 ( -1.547 -3.067 -6.678) 7.510 5.374 ( 1.350 7.171 0.844) 7.345 5.772 ( -7.004 1.591 2.947) 7.763 6.695 ( 2.855 0.016 -10.459) 10.842 6.871 ( -3.868 5.105 2.863) 7.016 7.692 ( -3.727 1.908 2.322) 4.788 7.750 ( -3.568 19.835 5.300) 20.838 8.230 ( 0.266 16.518 -4.192) 17.044 8.308 ( -5.109 3.000 -2.879) 6.587 9.968 ( 14.627 -0.387 -1.487) 14.707 10.688 ( -1.243 0.730 0.020) 1.442 11.038 ( 8.912 1.738 14.440) 17.058 11.714 ( -9.131 12.045 -6.958) 16.639 12.312 ( 8.984 -9.110 12.190) 17.672 12.537 ( -3.962 9.522 -5.780) 11.823 13.558 ( 14.077 -5.814 3.013) 15.525 14.208 ( -13.139 -13.302 -2.221) 18.828 14.906 ( -7.304 7.985 -1.967) 10.999 15.211 ( 0.764 -10.073 0.985) 10.149 17.739 ( 22.944 7.380 -16.404) 29.154 18.636 ( -9.726 4.433 8.159) 13.446 18.676 ( 0.172 0.161 5.039) 5.044 19.204 ( -14.412 2.669 1.608) 14.745 19.754 ( -7.488 -4.835 -9.932) 13.345 23.337 ( 10.045 -13.205 9.336) 19.038 23.907 ( -1.882 -11.739 -3.949) 12.527 24.329 ( -2.368 1.771 1.330) 3.242 ======================= Grid point 27 (18/230) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 0.000 14.560 0.000) 14.560 2.610 ( 0.000 1.922 -0.000) 1.922 2.752 ( 0.000 -5.431 0.000) 5.431 2.926 ( -0.000 7.134 0.000) 7.134 3.688 ( -0.000 -9.937 -0.000) 9.937 3.780 ( 0.000 4.770 0.000) 4.770 4.522 ( 0.000 1.349 0.000) 1.349 4.531 ( -0.000 -8.189 -0.000) 8.189 4.865 ( 0.000 2.824 -0.000) 2.824 4.976 ( 0.000 -2.072 -0.000) 2.072 5.405 ( 0.000 8.052 0.000) 8.052 5.675 ( 0.000 0.872 -0.000) 0.872 6.713 ( 0.000 3.082 0.000) 3.082 6.831 ( 0.000 4.422 0.000) 4.422 7.658 ( 0.000 1.693 -0.000) 1.693 7.722 ( 0.000 22.737 0.000) 22.737 8.238 ( -0.000 -3.733 0.000) 3.733 8.242 ( 0.000 22.671 -0.000) 22.671 10.140 ( -0.000 1.963 0.000) 1.963 10.646 ( 0.000 -0.159 -0.000) 0.159 11.160 ( 0.000 2.858 0.000) 2.858 11.601 ( -0.000 10.501 0.000) 10.501 12.449 ( 0.000 -13.993 0.000) 13.993 12.463 ( -0.000 14.355 -0.000) 14.355 13.780 ( 0.000 -14.094 -0.000) 14.094 13.996 ( -0.000 -9.448 0.000) 9.448 14.826 ( 0.000 9.521 -0.000) 9.521 15.223 ( 0.000 -9.287 -0.000) 9.287 17.975 ( 0.000 15.047 0.000) 15.047 18.533 ( -0.000 -2.583 0.000) 2.583 18.700 ( 0.000 7.591 -0.000) 7.591 19.039 ( 0.000 -3.313 -0.000) 3.313 19.663 ( 0.000 -5.723 -0.000) 5.723 23.448 ( 0.000 -3.527 -0.000) 3.527 23.883 ( 0.000 -22.799 0.000) 22.799 24.305 ( 0.000 3.559 0.000) 3.559 ======================= Grid point 33 (19/230) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 0.000 22.595 0.000) 22.595 1.696 ( 0.000 23.310 0.000) 23.310 2.682 ( 0.000 30.976 0.000) 30.976 2.907 ( 0.000 -11.548 0.000) 11.548 3.331 ( 0.000 -16.273 0.000) 16.273 3.789 ( 0.000 9.394 0.000) 9.394 4.318 ( 0.000 -3.540 0.000) 3.540 4.422 ( 0.000 9.796 0.000) 9.796 4.749 ( 0.000 1.984 0.000) 1.984 4.840 ( 0.000 2.843 0.000) 2.843 5.330 ( 0.000 -6.465 0.000) 6.465 5.463 ( 0.000 -2.604 0.000) 2.604 6.372 ( 0.000 10.377 0.000) 10.377 7.369 ( 0.000 9.892 0.000) 9.892 8.101 ( 0.000 -4.279 0.000) 4.279 8.244 ( 0.000 7.774 0.000) 7.774 8.475 ( 0.000 -0.721 0.000) 0.721 8.533 ( 0.000 9.245 0.000) 9.245 9.713 ( 0.000 14.715 0.000) 14.715 9.751 ( 0.000 2.352 0.000) 2.352 10.064 ( 0.000 -5.980 0.000) 5.980 11.043 ( 0.000 -22.431 0.000) 22.431 12.599 ( 0.000 13.181 0.000) 13.181 13.017 ( 0.000 5.101 0.000) 5.101 13.721 ( 0.000 -2.310 0.000) 2.310 14.719 ( 0.000 -3.484 0.000) 3.484 14.873 ( 0.000 -15.339 0.000) 15.339 15.522 ( 0.000 -2.942 0.000) 2.942 15.848 ( 0.000 -2.642 0.000) 2.642 19.367 ( 0.000 -1.428 0.000) 1.428 19.817 ( 0.000 2.001 0.000) 2.001 20.047 ( 0.000 9.570 0.000) 9.570 20.643 ( 0.000 -0.743 0.000) 0.743 20.683 ( 0.000 -10.233 0.000) 10.233 24.272 ( 0.000 4.692 0.000) 4.692 24.506 ( 0.000 -2.442 0.000) 2.442 ======================= Grid point 34 (20/230) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 11.200 20.620 5.728) 24.154 1.722 ( 2.687 22.546 1.675) 22.767 2.781 ( 9.457 22.966 0.796) 24.850 2.967 ( 4.645 -10.255 6.514) 13.006 3.386 ( 6.022 -14.449 -4.116) 16.186 3.779 ( -0.396 10.738 -1.401) 10.837 4.161 ( -11.565 -1.162 1.095) 11.675 4.530 ( 7.360 7.302 -3.075) 10.814 4.801 ( -2.887 4.873 2.725) 6.285 4.808 ( 3.774 -1.724 -1.275) 4.341 5.352 ( 2.691 -3.512 -1.321) 4.618 5.588 ( 10.055 -6.241 4.013) 12.496 6.387 ( 1.834 8.496 -0.831) 8.732 7.326 ( -4.320 9.180 1.378) 10.239 8.075 ( -2.825 -1.764 -0.083) 3.332 8.159 ( -6.377 3.277 2.559) 7.612 8.517 ( 2.795 7.253 6.906) 10.398 8.603 ( 5.274 8.787 -8.011) 13.007 9.572 ( -11.134 -2.148 3.851) 11.975 9.871 ( 13.651 11.180 10.955) 20.769 10.291 ( 16.994 -2.292 -5.791) 18.100 11.128 ( 8.366 -21.973 1.495) 23.559 12.562 ( -3.529 13.549 -1.635) 14.096 13.059 ( 3.977 4.576 0.645) 6.097 13.576 ( -14.328 2.379 7.011) 16.128 14.668 ( -6.003 -5.713 -4.106) 9.249 14.860 ( 0.023 -12.994 3.940) 13.578 15.447 ( -5.654 -2.748 -1.361) 6.432 16.089 ( 22.925 -3.383 -11.636) 25.931 19.087 ( -22.742 -0.924 -2.537) 22.902 19.588 ( -9.034 4.511 -15.387) 18.404 20.052 ( -4.650 9.761 2.441) 11.084 20.520 ( -10.542 -0.717 -5.008) 11.693 21.206 ( 36.288 -16.575 21.538) 45.337 24.237 ( -3.437 4.683 -0.271) 5.816 24.481 ( -2.390 -2.322 0.314) 3.347 ======================= Grid point 35 (21/230) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 7.416 19.525 1.170) 20.918 1.984 ( 16.553 15.914 7.187) 24.061 3.004 ( 10.909 5.826 2.860) 12.693 3.077 ( 4.193 -7.653 7.557) 11.544 3.512 ( 5.409 -9.587 -3.825) 11.653 3.813 ( 5.504 12.319 1.011) 13.530 3.932 ( -10.039 -0.728 -0.960) 10.111 4.651 ( 3.092 8.031 -5.757) 10.353 4.704 ( -3.765 0.317 7.545) 8.439 4.912 ( 5.655 -0.166 -5.691) 8.025 5.417 ( 3.686 1.533 -0.731) 4.059 5.775 ( 6.147 -8.004 4.305) 10.972 6.453 ( 5.738 3.290 -3.350) 7.414 7.220 ( -6.694 7.608 2.047) 10.338 7.970 ( -7.027 2.176 -0.086) 7.356 8.089 ( -2.542 1.997 10.151) 10.653 8.586 ( 2.799 12.774 1.070) 13.120 8.629 ( -1.447 10.884 -8.341) 13.789 9.457 ( 0.414 -4.309 1.104) 4.467 10.233 ( 17.766 3.652 16.159) 24.292 10.604 ( 15.689 0.806 -4.352) 16.302 11.367 ( 15.022 -20.261 3.168) 25.420 12.456 ( -6.770 14.984 -3.453) 16.801 13.158 ( 4.494 0.699 -1.556) 4.807 13.268 ( -16.286 11.622 11.498) 23.076 14.468 ( -12.705 -11.163 -3.958) 17.369 14.903 ( 2.739 -10.296 3.447) 11.198 15.322 ( -6.509 0.714 -2.557) 7.030 16.610 ( 32.601 -3.122 -16.405) 36.629 18.712 ( -12.938 -1.905 -1.593) 13.174 19.367 ( -12.079 6.774 -7.224) 15.619 19.899 ( -11.411 7.936 3.785) 14.405 20.234 ( -15.724 -1.669 -10.406) 18.929 21.943 ( 32.287 -20.715 19.491) 43.029 24.140 ( -6.380 3.881 -1.293) 7.579 24.426 ( -3.005 -1.884 0.684) 3.612 ======================= Grid point 36 (22/230) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 12.780 12.542 0.244) 17.908 2.330 ( 16.624 11.628 5.818) 21.105 3.089 ( -2.621 -7.617 5.963) 10.022 3.194 ( 4.079 -1.124 -2.466) 4.897 3.523 ( -3.568 -2.918 5.694) 7.326 3.782 ( -0.364 -2.795 -0.469) 2.857 4.068 ( 14.688 10.447 2.005) 18.136 4.553 ( -5.532 1.667 2.866) 6.450 4.782 ( 4.765 3.264 -1.522) 5.973 4.974 ( 1.910 -0.862 -9.051) 9.290 5.481 ( 3.015 5.537 -0.471) 6.322 5.821 ( -2.128 -5.992 3.817) 7.417 6.588 ( 8.642 0.566 -6.138) 10.615 7.089 ( -6.849 6.120 2.216) 9.448 7.838 ( -6.361 2.549 2.356) 7.247 8.079 ( -1.602 3.564 12.507) 13.103 8.519 ( -6.516 14.934 -8.797) 18.517 8.629 ( 1.863 15.580 -1.714) 15.785 9.600 ( 13.098 -5.908 -1.065) 14.408 10.553 ( 10.468 -3.136 7.882) 13.474 10.886 ( 13.443 6.058 5.015) 15.574 11.694 ( 16.527 -17.533 2.790) 24.255 12.283 ( -9.771 17.265 -3.948) 20.227 12.952 ( -13.516 8.709 5.395) 16.959 13.307 ( 6.376 1.962 2.765) 7.221 14.182 ( -15.006 -15.741 -2.216) 21.860 14.965 ( 2.780 -9.263 1.811) 9.839 15.189 ( -6.233 5.155 -2.372) 8.429 17.246 ( 35.648 0.324 -18.057) 39.962 18.580 ( -1.426 -3.903 3.519) 5.445 19.080 ( -15.442 9.355 -3.047) 18.309 19.630 ( -17.213 5.604 6.220) 19.141 19.903 ( -14.541 -3.808 -11.993) 19.229 22.542 ( 25.274 -20.126 14.916) 35.585 23.975 ( -10.101 0.425 -3.255) 10.621 24.380 ( -1.686 -0.396 0.959) 1.979 ======================= Grid point 37 (23/230) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 15.453 4.218 -1.069) 16.053 2.624 ( 10.111 3.490 6.373) 12.451 2.976 ( -7.507 2.066 -1.602) 7.949 3.163 ( -5.383 2.907 -1.774) 6.370 3.482 ( -0.945 -6.449 4.802) 8.096 3.847 ( 3.451 -0.919 1.149) 3.751 4.301 ( 6.600 5.575 8.950) 12.440 4.547 ( 4.948 -0.799 -0.953) 5.102 4.841 ( 1.349 -0.435 -0.731) 1.595 4.946 ( -1.576 -1.712 -10.742) 10.991 5.535 ( 2.764 7.184 -0.199) 7.700 5.738 ( -6.247 -3.645 2.764) 7.743 6.740 ( 7.894 3.781 -6.391) 10.838 6.974 ( -5.373 5.078 2.639) 7.850 7.741 ( -3.966 2.582 2.303) 5.263 8.077 ( -1.408 -3.396 10.518) 11.142 8.380 ( -4.751 25.211 -7.670) 26.777 8.656 ( 1.339 17.166 -1.612) 17.293 9.897 ( 15.326 -7.708 -0.935) 17.181 10.662 ( 0.595 -3.369 -1.184) 3.620 11.139 ( 9.511 8.050 11.406) 16.893 11.948 ( 5.473 -2.417 -9.134) 10.919 12.111 ( -3.306 6.100 6.631) 9.597 12.762 ( -6.821 8.029 2.979) 10.949 13.420 ( 4.227 -6.946 0.013) 8.131 13.913 ( -10.979 -14.787 0.093) 18.418 15.012 ( 1.809 -7.515 -1.249) 7.830 15.079 ( -4.379 7.125 0.318) 8.370 17.878 ( 32.184 5.975 -17.860) 37.290 18.639 ( 4.570 -3.187 5.054) 7.522 18.782 ( -13.577 9.065 4.379) 16.902 19.268 ( -20.415 2.774 4.589) 21.107 19.640 ( -9.226 -5.727 -8.319) 13.679 23.016 ( 20.545 -16.422 11.012) 28.514 23.729 ( -13.996 -5.290 -5.521) 15.948 24.363 ( -0.412 1.226 0.675) 1.459 ======================= Grid point 38 (24/230) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 0.000 -7.536 -0.000) 7.536 2.608 ( -0.000 -1.224 0.000) 1.224 2.950 ( 0.000 17.131 0.000) 17.131 3.056 ( 0.000 4.551 0.000) 4.551 3.485 ( 0.000 -8.680 -0.000) 8.680 3.874 ( 0.000 2.776 -0.000) 2.776 4.389 ( 0.000 -4.236 0.000) 4.236 4.612 ( -0.000 6.695 -0.000) 6.695 4.852 ( 0.000 -9.149 0.000) 9.149 4.905 ( -0.000 0.733 -0.000) 0.733 5.584 ( -0.000 8.181 0.000) 8.181 5.647 ( 0.000 -2.796 -0.000) 2.796 6.836 ( 0.000 8.672 0.000) 8.672 6.902 ( -0.000 2.439 0.000) 2.439 7.703 ( 0.000 2.289 -0.000) 2.289 8.075 ( 0.000 -11.247 -0.000) 11.247 8.322 ( 0.000 33.935 0.000) 33.935 8.669 ( 0.000 17.606 -0.000) 17.606 10.078 ( 0.000 -9.620 0.000) 9.620 10.641 ( 0.000 -0.298 -0.000) 0.298 11.259 ( 0.000 7.152 0.000) 7.152 11.909 ( -0.000 18.661 0.000) 18.661 12.160 ( 0.000 -13.317 -0.000) 13.317 12.699 ( 0.000 7.588 0.000) 7.588 13.460 ( 0.000 -16.368 -0.000) 16.368 13.800 ( 0.000 -8.860 0.000) 8.860 15.026 ( 0.000 9.183 -0.000) 9.183 15.037 ( -0.000 -8.227 0.000) 8.227 18.301 ( -0.000 16.207 0.000) 16.207 18.506 ( 0.000 0.258 -0.000) 0.258 18.844 ( -0.000 5.111 -0.000) 5.111 18.945 ( 0.000 -5.612 -0.000) 5.612 19.534 ( 0.000 -6.194 0.000) 6.194 23.399 ( -0.000 -1.268 -0.000) 1.268 23.414 ( 0.000 -21.159 0.000) 21.159 24.361 ( 0.000 1.824 0.000) 1.824 ======================= Grid point 44 (25/230) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 0.000 14.768 0.000) 14.768 2.074 ( 0.000 10.591 0.000) 10.591 2.687 ( 0.000 -7.482 0.000) 7.482 3.013 ( 0.000 -12.068 0.000) 12.068 3.122 ( 0.000 10.934 0.000) 10.934 4.013 ( 0.000 11.866 0.000) 11.866 4.216 ( 0.000 -7.101 0.000) 7.101 4.611 ( 0.000 8.005 0.000) 8.005 4.731 ( 0.000 -3.475 0.000) 3.475 4.897 ( 0.000 1.864 0.000) 1.864 5.190 ( 0.000 -5.210 0.000) 5.210 5.413 ( 0.000 -1.647 0.000) 1.647 6.506 ( 0.000 3.036 0.000) 3.036 7.557 ( 0.000 7.271 0.000) 7.271 7.969 ( 0.000 -6.570 0.000) 6.570 8.343 ( 0.000 1.969 0.000) 1.969 8.496 ( 0.000 1.384 0.000) 1.384 8.746 ( 0.000 8.451 0.000) 8.451 9.782 ( 0.000 0.730 0.000) 0.730 9.819 ( 0.000 -4.162 0.000) 4.162 10.172 ( 0.000 17.860 0.000) 17.860 10.590 ( 0.000 -21.546 0.000) 21.546 12.859 ( 0.000 9.249 0.000) 9.249 13.087 ( 0.000 1.695 0.000) 1.695 13.683 ( 0.000 -1.270 0.000) 1.270 14.547 ( 0.000 -11.362 0.000) 11.362 14.666 ( 0.000 -1.436 0.000) 1.436 15.522 ( 0.000 0.804 0.000) 0.804 15.808 ( 0.000 -1.054 0.000) 1.054 19.347 ( 0.000 -0.495 0.000) 0.495 19.846 ( 0.000 0.734 0.000) 0.734 20.247 ( 0.000 9.587 0.000) 9.587 20.473 ( 0.000 -9.837 0.000) 9.837 20.631 ( 0.000 -0.306 0.000) 0.306 24.365 ( 0.000 4.221 0.000) 4.221 24.445 ( 0.000 -3.399 0.000) 3.399 ======================= Grid point 45 (26/230) ======================= q-point: ( 0.10 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 5.814 11.828 4.610) 13.963 2.116 ( 4.792 12.905 -1.507) 13.848 2.748 ( 4.895 -7.479 6.976) 11.339 2.971 ( -1.872 -6.556 8.330) 10.765 3.246 ( 10.429 3.369 -12.096) 16.323 3.996 ( -3.035 7.411 -0.556) 8.028 4.140 ( -5.333 0.198 1.878) 5.658 4.649 ( 2.859 3.355 -1.509) 4.659 4.739 ( 0.035 -3.640 -1.143) 3.815 4.886 ( 1.136 2.512 -0.501) 2.802 5.285 ( 7.745 -2.112 1.094) 8.103 5.480 ( 5.925 -3.410 2.868) 7.414 6.500 ( -0.280 2.639 -0.848) 2.786 7.493 ( -6.205 5.947 1.625) 8.747 7.985 ( 1.157 -4.874 4.307) 6.607 8.202 ( -8.677 1.158 -3.967) 9.611 8.622 ( 6.468 2.709 7.355) 10.162 8.841 ( 8.093 10.218 1.348) 13.104 9.492 ( -14.150 -4.440 2.002) 14.964 10.068 ( 11.771 4.105 -3.370) 12.914 10.340 ( 15.446 10.928 0.711) 18.934 10.691 ( 10.034 -20.048 2.995) 22.618 12.832 ( -2.439 10.009 -2.029) 10.500 13.107 ( 1.634 0.098 -0.878) 1.858 13.609 ( -7.562 1.122 5.989) 9.711 14.449 ( -9.511 -10.807 -0.943) 14.427 14.698 ( 2.686 -2.372 1.034) 3.730 15.449 ( -4.737 0.855 -0.381) 4.828 16.045 ( 22.265 -1.007 -9.350) 24.169 19.068 ( -22.937 -0.602 0.104) 22.945 19.651 ( -7.184 1.568 -17.634) 19.106 20.221 ( -6.803 5.433 3.996) 9.579 20.512 ( -10.765 -0.084 -6.534) 12.592 20.950 ( 33.444 -7.549 20.170) 39.778 24.329 ( -3.713 4.000 -0.412) 5.474 24.422 ( -2.114 -3.205 0.004) 3.840 ======================= Grid point 46 (27/230) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 4.326 10.142 4.081) 11.757 2.278 ( 11.014 10.519 -0.318) 15.233 2.880 ( 5.763 -6.060 9.315) 12.518 3.015 ( 4.227 -6.003 7.267) 10.331 3.412 ( 8.828 0.036 -11.787) 14.726 3.839 ( -10.861 -2.571 -0.599) 11.178 4.138 ( 3.743 11.348 5.706) 13.241 4.637 ( -4.463 -5.070 6.020) 9.048 4.770 ( 4.156 2.783 -6.092) 7.883 4.947 ( 4.528 2.383 -7.607) 9.168 5.446 ( 7.730 1.417 1.495) 7.999 5.616 ( 5.877 -5.784 3.556) 8.980 6.511 ( 2.385 1.599 -1.598) 3.286 7.348 ( -8.448 4.076 1.764) 9.545 8.006 ( -3.699 0.835 4.056) 5.552 8.050 ( -3.885 -2.810 5.506) 7.301 8.744 ( 5.263 4.372 -0.296) 6.849 8.972 ( 2.992 16.754 2.736) 17.237 9.319 ( -2.098 -9.387 -0.314) 9.624 10.282 ( 10.557 0.325 -0.957) 10.605 10.695 ( 19.466 9.429 2.634) 21.789 10.981 ( 17.501 -16.763 5.670) 24.888 12.757 ( -4.411 12.029 -3.758) 13.352 13.102 ( -3.405 -4.929 -2.783) 6.606 13.477 ( -5.716 7.790 10.107) 13.983 14.186 ( -16.705 -12.145 -1.106) 20.683 14.765 ( 3.705 -2.838 1.175) 4.813 15.361 ( -4.173 1.558 -1.587) 4.728 16.574 ( 33.792 -0.733 -14.532) 36.791 18.675 ( -14.862 -1.176 -0.057) 14.909 19.472 ( -8.631 2.924 -11.908) 14.995 20.025 ( -14.248 3.633 5.809) 15.810 20.207 ( -17.291 -0.786 -9.158) 19.582 21.643 ( 31.422 -7.877 17.760) 36.943 24.208 ( -8.601 2.295 -1.563) 9.038 24.383 ( -1.455 -1.694 0.447) 2.277 ======================= Grid point 47 (28/230) ======================= q-point: ( 0.30 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 5.742 8.323 2.860) 10.508 2.483 ( 8.704 1.946 0.632) 8.942 3.000 ( 4.845 0.643 5.360) 7.253 3.123 ( 4.134 -5.633 1.835) 7.224 3.522 ( 1.695 3.501 0.102) 3.891 3.665 ( -2.912 -6.960 -0.966) 7.607 4.271 ( 7.357 7.204 6.784) 12.331 4.558 ( -4.672 -1.242 9.870) 10.990 4.825 ( 2.697 1.040 -9.026) 9.478 4.983 ( 1.056 1.053 -13.104) 13.189 5.576 ( 4.941 3.778 1.188) 6.332 5.686 ( 0.318 -5.734 3.338) 6.643 6.613 ( 8.621 0.985 -2.264) 8.967 7.192 ( -7.415 3.293 1.160) 8.196 7.888 ( -6.175 2.124 3.355) 7.341 8.015 ( -4.977 -4.838 8.544) 11.008 8.829 ( 3.981 7.256 -2.190) 8.561 8.999 ( 1.003 22.574 0.326) 22.599 9.402 ( 9.003 -14.491 -0.671) 17.073 10.463 ( 8.199 -3.893 -2.493) 9.412 11.072 ( 16.545 11.634 8.245) 21.842 11.359 ( 19.095 -14.839 5.101) 24.715 12.640 ( -6.851 15.855 -4.659) 17.889 12.946 ( -10.298 -7.665 -0.951) 12.873 13.455 ( -0.870 11.234 6.618) 13.068 13.832 ( -17.272 -16.311 -0.046) 23.756 14.838 ( 3.306 -3.017 0.985) 4.583 15.276 ( -4.103 2.503 -1.861) 5.154 17.258 ( 39.038 0.544 -17.506) 42.786 18.512 ( -2.540 -2.063 3.746) 4.973 19.246 ( -11.851 5.354 -9.669) 16.205 19.695 ( -20.522 0.539 5.494) 21.251 19.847 ( -16.806 -0.992 -5.089) 17.588 22.244 ( 26.566 -7.895 13.778) 30.950 23.984 ( -13.642 0.319 -3.286) 14.036 24.371 ( -0.027 -0.314 0.689) 0.757 ======================= Grid point 48 (29/230) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 6.074 2.766 1.538) 6.849 2.587 ( 1.426 -3.521 1.891) 4.244 3.084 ( 2.236 4.185 -0.809) 4.813 3.187 ( 4.263 -0.241 -4.337) 6.087 3.444 ( -6.227 2.492 7.918) 10.376 3.764 ( 7.397 -5.314 0.841) 9.146 4.400 ( 2.167 3.630 7.422) 8.541 4.546 ( 2.613 -0.466 10.707) 11.031 4.820 ( -1.269 -0.376 -10.127) 10.213 4.931 ( -2.193 -0.410 -13.578) 13.760 5.618 ( -1.384 0.253 1.580) 2.116 5.689 ( 0.867 0.186 1.760) 1.970 6.807 ( 10.402 1.936 -2.442) 10.859 7.076 ( -4.589 3.921 0.710) 6.077 7.793 ( -4.439 2.776 2.863) 5.967 7.905 ( -6.325 -8.125 4.765) 11.346 8.891 ( 2.493 7.724 -1.225) 8.208 9.021 ( 0.951 28.882 0.150) 28.898 9.609 ( 10.543 -20.344 -0.597) 22.921 10.587 ( 5.108 -2.559 -3.610) 6.758 11.341 ( 8.246 9.836 9.876) 16.195 11.722 ( 16.430 -10.738 1.824) 19.712 12.459 ( -10.377 18.479 -2.712) 21.366 12.774 ( -6.011 -8.068 -0.553) 10.076 13.330 ( -11.686 -0.919 -1.123) 11.776 13.657 ( -1.095 -8.289 3.823) 9.193 14.892 ( 1.920 -3.218 0.534) 3.785 15.200 ( -2.978 3.405 -1.303) 4.708 17.973 ( 37.429 2.863 -18.538) 41.866 18.569 ( 6.309 -2.575 6.893) 9.692 18.975 ( -13.689 8.022 -6.048) 16.980 19.268 ( -24.769 -2.967 9.608) 26.732 19.559 ( -10.630 -1.559 -4.249) 11.553 22.753 ( 22.611 -7.457 10.126) 25.872 23.669 ( -17.167 -1.145 -5.111) 17.948 24.378 ( 0.393 0.307 0.472) 0.687 ======================= Grid point 49 (30/230) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 0.000 -3.291 0.000) 3.291 2.585 ( -0.000 -0.720 0.000) 0.720 3.094 ( 0.000 -0.145 0.000) 0.145 3.252 ( -0.000 10.064 0.000) 10.064 3.376 ( 0.000 -2.000 -0.000) 2.000 3.849 ( 0.000 -3.732 -0.000) 3.732 4.416 ( 0.000 6.327 0.000) 6.327 4.639 ( -0.000 -10.420 -0.000) 10.420 4.754 ( 0.000 5.938 0.000) 5.938 4.887 ( 0.000 -2.386 -0.000) 2.386 5.594 ( 0.000 -1.656 -0.000) 1.656 5.705 ( 0.000 3.172 0.000) 3.172 6.934 ( 0.000 0.737 -0.000) 0.737 7.020 ( -0.000 7.031 0.000) 7.031 7.742 ( 0.000 1.480 -0.000) 1.480 7.845 ( 0.000 -8.753 -0.000) 8.753 8.914 ( 0.000 7.038 0.000) 7.038 9.031 ( 0.000 31.344 0.000) 31.344 9.727 ( 0.000 -23.090 0.000) 23.090 10.636 ( 0.000 -0.167 0.000) 0.167 11.433 ( 0.000 7.730 0.000) 7.730 11.928 ( 0.000 -8.285 -0.000) 8.285 12.309 ( -0.000 18.047 -0.000) 18.047 12.716 ( 0.000 -6.918 0.000) 6.918 13.188 ( 0.000 -7.339 -0.000) 7.339 13.665 ( 0.000 -3.635 0.000) 3.635 14.912 ( 0.000 -3.396 0.000) 3.396 15.167 ( 0.000 3.871 0.000) 3.871 18.536 ( -0.000 1.824 0.000) 1.824 18.613 ( 0.000 13.251 -0.000) 13.251 18.835 ( -0.000 -3.968 -0.000) 3.968 18.850 ( 0.000 -5.032 0.000) 5.032 19.445 ( 0.000 -1.960 0.000) 1.960 23.091 ( 0.000 -8.799 0.000) 8.799 23.388 ( 0.000 -0.129 -0.000) 0.129 24.383 ( 0.000 0.473 0.000) 0.473 ======================= Grid point 99 (31/230) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -3.172 0.000 26.303) 26.493 0.649 ( 13.007 0.000 30.104) 32.794 1.244 ( 6.178 0.000 57.648) 57.978 3.395 ( 7.768 0.000 8.342) 11.399 3.431 ( -1.308 0.000 -3.547) 3.780 3.666 ( 3.347 0.000 -6.037) 6.903 4.073 ( -0.604 0.000 -8.579) 8.600 4.368 ( -5.091 0.000 -6.571) 8.313 4.619 ( -10.088 0.000 11.410) 15.230 5.112 ( 20.455 0.000 1.794) 20.534 5.365 ( 3.278 0.000 6.488) 7.269 5.472 ( 7.076 0.000 6.871) 9.863 5.833 ( -15.501 0.000 5.453) 16.432 6.962 ( -2.800 0.000 7.476) 7.983 7.707 ( 1.652 0.000 -10.229) 10.361 7.920 ( -0.205 0.000 -1.415) 1.430 8.250 ( -4.355 0.000 2.113) 4.840 8.446 ( -0.384 0.000 16.531) 16.535 9.449 ( 8.078 0.000 -7.132) 10.776 10.324 ( -5.499 0.000 5.097) 7.498 10.446 ( 70.302 0.000 0.124) 70.302 11.192 ( -0.145 0.000 -9.629) 9.630 12.145 ( 4.992 0.000 -8.966) 10.262 12.470 ( 2.175 0.000 -5.080) 5.526 13.816 ( 40.466 0.000 3.900) 40.653 14.880 ( -0.306 0.000 2.609) 2.627 14.882 ( 0.265 0.000 -0.379) 0.462 15.879 ( 0.819 0.000 -11.833) 11.861 18.074 (-196.696 0.000 -0.144) 196.696 18.326 ( 8.190 0.000 0.903) 8.239 19.485 ( 0.164 0.000 1.256) 1.267 19.676 ( -0.894 0.000 0.036) 0.895 20.744 ( -8.717 0.000 6.070) 10.623 22.028 ( 141.405 0.000 -2.972) 141.436 23.527 ( 1.871 0.000 1.284) 2.269 24.056 ( -0.341 0.000 -1.681) 1.716 ======================= Grid point 100 (32/230) ======================= q-point: ( 0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 18.666 0.000 18.782) 26.480 1.095 ( 19.899 0.000 26.884) 33.447 1.823 ( 36.707 0.000 43.240) 56.719 3.407 ( -1.039 0.000 -3.854) 3.991 3.574 ( 6.538 0.000 10.038) 11.980 3.753 ( 7.387 0.000 0.309) 7.393 4.010 ( -3.930 0.000 -10.547) 11.255 4.270 ( -2.252 0.000 -3.634) 4.275 4.440 ( -9.552 0.000 6.459) 11.531 5.131 ( -3.856 0.000 0.524) 3.891 5.445 ( 2.818 0.000 7.875) 8.364 5.577 ( 1.811 0.000 10.928) 11.077 6.292 ( 27.074 0.000 -23.804) 36.050 6.917 ( -3.271 0.000 5.613) 6.497 7.735 ( 3.321 0.000 -10.513) 11.025 7.883 ( -2.767 0.000 -2.415) 3.673 8.127 ( -8.099 0.000 -0.030) 8.099 8.450 ( -3.236 0.000 19.635) 19.900 9.554 ( 3.029 0.000 -0.764) 3.124 10.309 ( 3.490 0.000 0.655) 3.551 11.179 ( 1.620 0.000 -11.250) 11.366 11.422 ( 32.964 0.000 -25.325) 41.569 12.112 ( -5.767 0.000 -6.099) 8.394 12.587 ( 10.645 0.000 -3.348) 11.159 13.822 ( -51.230 0.000 47.309) 69.733 14.816 ( -3.713 0.000 0.214) 3.719 14.893 ( 0.799 0.000 -0.836) 1.157 15.818 ( -4.160 0.000 -11.212) 11.959 16.079 ( -4.913 0.000 11.482) 12.489 18.501 ( 8.391 0.000 8.462) 11.917 19.431 ( -5.925 0.000 1.033) 6.014 19.625 ( -4.752 0.000 -0.151) 4.754 20.480 ( -17.995 0.000 -1.087) 18.028 23.634 ( 7.991 0.000 2.593) 8.402 23.741 ( 42.746 0.000 -36.571) 56.255 24.017 ( -3.238 0.000 -2.477) 4.077 ======================= Grid point 101 (33/230) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 23.667 0.000 12.897) 26.953 1.530 ( 18.718 0.000 24.758) 31.037 2.710 ( 43.139 0.000 26.585) 50.673 3.339 ( -5.780 0.000 -2.979) 6.503 3.656 ( 0.729 0.000 1.593) 1.752 3.836 ( -9.034 0.000 -2.498) 9.373 3.964 ( 6.753 0.000 9.715) 11.831 4.268 ( 3.249 0.000 -4.828) 5.820 4.326 ( -0.418 0.000 -2.534) 2.568 5.079 ( -1.891 0.000 -1.705) 2.546 5.506 ( 1.643 0.000 7.229) 7.414 5.641 ( 1.871 0.000 11.160) 11.316 6.540 ( 6.414 0.000 -19.480) 20.508 6.862 ( -3.341 0.000 3.502) 4.840 7.753 ( -0.070 0.000 -10.615) 10.615 7.810 ( -4.009 0.000 -1.455) 4.265 7.955 ( -8.870 0.000 0.638) 8.893 8.424 ( -4.068 0.000 21.562) 21.943 9.601 ( 3.155 0.000 2.600) 4.088 10.427 ( 7.501 0.000 -2.521) 7.913 11.208 ( 4.172 0.000 -12.310) 12.998 11.746 ( 0.727 0.000 -2.286) 2.399 11.985 ( 1.997 0.000 -16.727) 16.845 12.860 ( 17.626 0.000 -1.969) 17.736 13.065 ( -31.724 0.000 58.803) 66.815 14.763 ( -2.734 0.000 -1.144) 2.963 14.889 ( -1.625 0.000 -3.393) 3.762 15.679 ( -6.996 0.000 -8.230) 10.802 16.421 ( 26.200 0.000 -18.970) 32.347 18.681 ( 6.718 0.000 15.341) 16.748 19.258 ( -11.936 0.000 0.718) 11.958 19.498 ( -7.858 0.000 0.172) 7.860 20.090 ( -19.124 0.000 -7.519) 20.549 23.823 ( 10.015 0.000 2.632) 10.355 23.897 ( -6.821 0.000 -1.435) 6.970 24.149 ( 12.222 0.000 -18.224) 21.943 ======================= Grid point 102 (34/230) ======================= q-point: ( 0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 23.715 0.000 10.406) 25.897 1.941 ( 17.644 0.000 21.607) 27.896 3.160 ( -11.678 0.000 -1.620) 11.789 3.515 ( -15.661 0.000 1.448) 15.728 3.570 ( 38.761 0.000 14.068) 41.235 3.713 ( -1.689 0.000 -2.032) 2.642 4.004 ( -3.212 0.000 1.737) 3.651 4.370 ( 8.130 0.000 -5.405) 9.763 4.479 ( 13.542 0.000 3.530) 13.994 5.026 ( -3.381 0.000 -3.253) 4.692 5.542 ( 0.465 0.000 5.306) 5.327 5.679 ( -1.675 0.000 10.470) 10.603 6.533 ( -1.360 0.000 -15.130) 15.191 6.819 ( -1.385 0.000 4.917) 5.108 7.657 ( -6.852 0.000 -6.184) 9.230 7.726 ( -4.483 0.000 1.866) 4.856 7.811 ( -6.032 0.000 -0.288) 6.039 8.400 ( -3.500 0.000 22.181) 22.455 9.720 ( 8.400 0.000 0.765) 8.435 10.556 ( 5.829 0.000 -1.429) 6.001 11.277 ( 5.482 0.000 -12.758) 13.887 11.552 ( -14.320 0.000 6.054) 15.547 12.063 ( 3.425 0.000 -14.340) 14.744 12.821 ( -6.760 0.000 36.528) 37.148 13.250 ( 22.350 0.000 -1.578) 22.406 14.700 ( -3.418 0.000 0.583) 3.467 14.765 ( -10.585 0.000 -9.145) 13.988 15.545 ( -4.498 0.000 -2.425) 5.110 16.877 ( 24.292 0.000 -17.256) 29.797 18.795 ( -0.763 0.000 14.649) 14.669 18.984 ( -15.089 0.000 3.671) 15.529 19.334 ( -8.664 0.000 0.784) 8.700 19.779 ( -8.618 0.000 -9.921) 13.141 23.748 ( -7.433 0.000 -1.612) 7.606 24.012 ( 8.340 0.000 1.782) 8.528 24.275 ( 5.369 0.000 -12.011) 13.156 ======================= Grid point 103 (35/230) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 21.503 0.000 9.670) 23.577 2.297 ( 12.212 0.000 18.762) 22.387 2.912 ( -11.432 0.000 0.271) 11.435 3.172 ( -19.115 0.000 5.044) 19.769 3.655 ( -3.583 0.000 -9.060) 9.743 3.936 ( -2.591 0.000 -2.471) 3.581 4.216 ( 22.297 0.000 -1.929) 22.380 4.559 ( 13.173 0.000 -3.149) 13.544 4.756 ( 11.744 0.000 8.263) 14.360 4.928 ( -5.318 0.000 -1.836) 5.626 5.548 ( -0.793 0.000 3.144) 3.242 5.579 ( -11.315 0.000 8.070) 13.898 6.487 ( 1.325 0.000 -10.185) 10.271 6.849 ( 2.716 0.000 9.181) 9.574 7.512 ( -6.012 0.000 -2.334) 6.449 7.654 ( -3.480 0.000 6.013) 6.947 7.707 ( -4.084 0.000 -0.861) 4.173 8.395 ( -2.317 0.000 22.249) 22.369 9.900 ( 8.872 0.000 -1.282) 8.964 10.644 ( 3.190 0.000 1.265) 3.432 11.281 ( -14.055 0.000 -1.212) 14.107 11.348 ( 4.533 0.000 -12.576) 13.368 12.022 ( -4.013 0.000 -5.357) 6.693 12.879 ( 3.386 0.000 20.368) 20.648 13.708 ( 24.514 0.000 -2.367) 24.628 14.433 ( -19.866 0.000 -12.836) 23.652 14.644 ( -2.370 0.000 2.405) 3.376 15.491 ( -1.502 0.000 0.797) 1.701 17.275 ( 19.586 0.000 -10.951) 22.439 18.635 ( -12.030 0.000 -0.316) 12.034 18.792 ( -9.114 0.000 7.331) 11.697 19.182 ( -6.618 0.000 1.296) 6.744 19.743 ( 5.143 0.000 0.912) 5.224 23.614 ( -5.503 0.000 -3.105) 6.318 24.140 ( 4.130 0.000 0.495) 4.160 24.318 ( 1.846 0.000 -10.945) 11.100 ======================= Grid point 104 (36/230) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -13.404 0.000 9.709) 16.551 2.548 ( -1.270 0.000 11.439) 11.509 2.896 ( -0.539 0.000 3.997) 4.033 2.899 ( 10.179 0.000 9.201) 13.722 3.539 ( -4.960 0.000 -13.719) 14.589 3.899 ( -0.731 0.000 -3.321) 3.401 4.314 ( -9.036 0.000 -17.056) 19.301 4.721 ( -1.751 0.000 -5.556) 5.825 4.935 ( 3.707 0.000 10.238) 10.889 4.988 ( 13.634 0.000 4.952) 14.505 5.325 ( -13.386 0.000 7.112) 15.158 5.532 ( -1.364 0.000 1.755) 2.223 6.555 ( 6.871 0.000 -4.523) 8.226 6.957 ( 5.137 0.000 13.765) 14.693 7.435 ( -0.944 0.000 -2.363) 2.544 7.634 ( -0.038 0.000 8.885) 8.885 7.668 ( 0.545 0.000 -0.049) 0.547 8.413 ( -1.237 0.000 22.504) 22.538 10.015 ( 2.114 0.000 -1.014) 2.344 10.688 ( 0.915 0.000 3.248) 3.375 10.987 ( -14.756 0.000 -11.572) 18.752 11.386 ( 2.212 0.000 -11.801) 12.006 11.920 ( -4.686 0.000 -4.665) 6.612 12.983 ( 2.150 0.000 15.849) 15.995 13.970 ( -23.377 0.000 -13.602) 27.047 14.178 ( 23.673 0.000 -3.486) 23.928 14.631 ( 0.461 0.000 3.819) 3.847 15.469 ( -1.088 0.000 0.479) 1.189 17.577 ( 12.630 0.000 -2.239) 12.827 18.467 ( -5.229 0.000 -5.363) 7.490 18.620 ( -6.622 0.000 0.202) 6.625 19.103 ( -1.249 0.000 1.114) 1.673 19.921 ( 10.116 0.000 12.381) 15.988 23.523 ( -2.822 0.000 -6.383) 6.979 24.168 ( -1.272 0.000 -0.864) 1.537 24.300 ( -0.895 0.000 -11.502) 11.537 ======================= Grid point 105 (37/230) ======================= q-point: (-0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -20.669 0.000 7.748) 22.074 2.234 ( -23.886 0.000 10.558) 26.116 3.154 ( 15.122 0.000 2.066) 15.263 3.163 ( 11.093 0.000 10.448) 15.239 3.424 ( -2.338 0.000 -13.273) 13.477 3.868 ( -29.818 0.000 -15.014) 33.385 3.886 ( 0.386 0.000 -3.508) 3.530 4.586 ( -9.551 0.000 -4.989) 10.775 4.953 ( -3.690 0.000 11.777) 12.341 5.196 ( -0.813 0.000 3.723) 3.810 5.222 ( 7.162 0.000 2.647) 7.635 5.499 ( -2.597 0.000 1.351) 2.927 6.705 ( 8.326 0.000 -0.337) 8.333 7.093 ( 4.905 0.000 15.832) 16.574 7.469 ( 4.964 0.000 -5.106) 7.121 7.701 ( 4.485 0.000 9.561) 10.560 7.734 ( 6.102 0.000 1.116) 6.203 8.450 ( -0.605 0.000 22.864) 22.872 9.949 ( -8.796 0.000 0.451) 8.807 10.640 ( -16.972 0.000 -22.862) 28.473 10.705 ( 0.065 0.000 3.870) 3.871 11.377 ( -0.428 0.000 -10.667) 10.676 11.830 ( -2.821 0.000 -7.117) 7.655 13.031 ( -0.941 0.000 16.983) 17.009 13.486 ( -22.418 0.000 -12.194) 25.520 14.588 ( 18.327 0.000 -4.956) 18.985 14.676 ( 2.961 0.000 4.338) 5.252 15.462 ( 1.152 0.000 -1.317) 1.750 17.758 ( 5.521 0.000 9.200) 10.730 18.314 ( -7.399 0.000 -13.051) 15.002 18.661 ( 9.660 0.000 1.396) 9.761 19.150 ( 5.807 0.000 0.349) 5.818 20.163 ( 10.551 0.000 18.221) 21.055 23.462 ( -1.585 0.000 -13.487) 13.580 24.089 ( -6.343 0.000 -1.948) 6.635 24.234 ( -2.810 0.000 -11.627) 11.962 ======================= Grid point 106 (38/230) ======================= q-point: (-0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -22.661 0.000 9.332) 24.507 1.764 ( -26.416 0.000 11.355) 28.753 3.013 ( -38.140 0.000 -5.866) 38.589 3.260 ( -0.948 0.000 -10.742) 10.784 3.470 ( 1.895 0.000 6.844) 7.102 3.504 ( 9.387 0.000 -4.948) 10.612 3.913 ( 3.360 0.000 0.483) 3.395 4.395 ( -7.187 0.000 -5.961) 9.337 4.884 ( -5.474 0.000 13.620) 14.679 5.229 ( 0.940 0.000 7.755) 7.812 5.291 ( 1.031 0.000 -3.133) 3.299 5.431 ( -4.563 0.000 0.999) 4.671 6.853 ( 5.952 0.000 3.131) 6.725 7.225 ( 5.232 0.000 13.840) 14.796 7.578 ( 6.995 0.000 -8.876) 11.301 7.829 ( 5.759 0.000 7.417) 9.391 7.906 ( 10.615 0.000 2.746) 10.964 8.490 ( -0.994 0.000 22.157) 22.179 9.704 ( -14.903 0.000 0.118) 14.904 10.206 ( -21.024 0.000 -33.308) 39.388 10.696 ( -2.473 0.000 4.049) 4.744 11.327 ( -2.020 0.000 -9.442) 9.656 11.789 ( 0.950 0.000 -9.172) 9.221 13.041 ( -2.168 0.000 20.693) 20.806 13.057 ( -18.423 0.000 -10.225) 21.070 14.753 ( 3.490 0.000 4.034) 5.334 14.832 ( 7.352 0.000 -3.811) 8.281 15.539 ( 7.748 0.000 -5.013) 9.228 17.881 ( 4.848 0.000 23.749) 24.239 18.170 ( -3.439 0.000 -13.862) 14.282 18.926 ( 15.636 0.000 0.083) 15.637 19.310 ( 9.709 0.000 0.230) 9.712 20.410 ( 9.977 0.000 20.193) 22.524 23.361 ( -5.139 0.000 -28.684) 29.140 23.924 ( -9.598 0.000 -2.444) 9.905 24.147 ( -3.260 0.000 -9.230) 9.789 ======================= Grid point 107 (39/230) ======================= q-point: (-0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -23.302 0.000 11.954) 26.189 1.268 ( -26.910 0.000 13.716) 30.204 2.148 ( -46.108 0.000 6.600) 46.578 3.227 ( 0.531 0.000 -6.614) 6.635 3.516 ( -0.744 0.000 3.623) 3.699 3.606 ( 3.354 0.000 -10.058) 10.603 4.011 ( 4.899 0.000 2.895) 5.690 4.307 ( -0.760 0.000 -3.868) 3.942 4.822 ( -4.504 0.000 15.434) 16.078 5.178 ( -6.977 0.000 2.912) 7.561 5.335 ( 3.393 0.000 1.749) 3.818 5.343 ( -3.924 0.000 0.877) 4.021 6.941 ( 1.986 0.000 5.419) 5.772 7.346 ( 2.931 0.000 3.967) 4.933 7.673 ( 4.775 0.000 -11.106) 12.089 7.925 ( 2.145 0.000 -0.259) 2.161 8.129 ( 10.029 0.000 4.469) 10.980 8.492 ( -4.428 0.000 15.961) 16.564 9.435 ( -10.361 0.000 -3.449) 10.920 9.672 ( -23.974 0.000 -28.863) 37.521 10.614 ( -6.902 0.000 4.289) 8.126 11.267 ( -1.691 0.000 -8.351) 8.521 11.837 ( 6.377 0.000 -9.530) 11.467 12.728 ( -12.848 0.000 -8.212) 15.248 13.062 ( -0.529 0.000 25.959) 25.964 14.821 ( 2.507 0.000 3.364) 4.195 14.890 ( 0.637 0.000 -1.619) 1.740 15.706 ( 9.656 0.000 -8.932) 13.153 18.126 ( 1.953 0.000 -11.184) 11.353 18.156 ( 18.761 0.000 44.586) 48.373 19.217 ( 13.196 0.000 -0.314) 13.200 19.500 ( 8.920 0.000 0.965) 8.972 20.637 ( 8.126 0.000 18.513) 20.218 23.030 ( -22.545 0.000 -58.201) 62.415 23.724 ( -9.695 0.000 -2.089) 9.917 24.079 ( -1.758 0.000 -4.341) 4.683 ======================= Grid point 108 (40/230) ======================= q-point: (-0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -21.666 0.000 15.284) 26.514 0.804 ( -23.239 0.000 19.352) 30.241 1.385 ( -31.880 0.000 36.964) 48.812 3.265 ( 4.231 0.000 0.822) 4.310 3.477 ( -2.543 0.000 -0.959) 2.718 3.631 ( 2.227 0.000 -9.060) 9.330 4.078 ( 1.662 0.000 -2.437) 2.950 4.330 ( 3.714 0.000 -0.434) 3.739 4.756 ( -6.721 0.000 14.732) 16.192 5.013 ( -9.273 0.000 0.670) 9.298 5.310 ( 0.463 0.000 3.079) 3.114 5.405 ( 2.722 0.000 4.385) 5.162 6.896 ( -28.072 0.000 -24.611) 37.332 7.046 ( -24.944 0.000 -11.835) 27.610 7.707 ( 1.593 0.000 -10.974) 11.089 7.907 ( 0.099 0.000 -3.539) 3.540 8.268 ( 2.342 0.000 4.972) 5.496 8.412 ( -2.669 0.000 13.153) 13.421 9.342 ( 2.535 0.000 -7.987) 8.380 9.444 ( 12.947 0.000 26.265) 29.283 10.463 ( -8.964 0.000 5.227) 10.376 11.223 ( -0.878 0.000 -8.317) 8.363 11.989 ( 10.799 0.000 -9.366) 14.295 12.524 ( -6.076 0.000 -6.623) 8.988 13.207 ( 11.887 0.000 31.065) 33.261 14.864 ( 1.106 0.000 2.814) 3.024 14.885 ( -0.399 0.000 -0.600) 0.720 15.839 ( 5.938 0.000 -11.093) 12.582 18.188 ( 6.166 0.000 -5.936) 8.559 19.046 ( 64.647 0.000 59.989) 88.193 19.415 ( 6.814 0.000 0.501) 6.832 19.656 ( 8.153 0.000 5.971) 10.106 20.783 ( 2.004 0.000 13.284) 13.435 21.889 ( -88.048 0.000 -94.348) 129.050 23.564 ( -5.527 0.000 -0.709) 5.573 24.058 ( 0.004 0.000 -1.558) 1.558 ======================= Grid point 109 (41/230) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 8.179 19.801 22.706) 31.218 0.919 ( 4.169 23.372 19.097) 30.469 1.489 ( 0.607 24.178 43.675) 49.925 3.349 ( 7.518 -4.507 8.074) 11.917 3.468 ( -2.171 3.622 -3.898) 5.747 3.703 ( 2.014 2.087 -2.984) 4.161 4.077 ( 0.844 -1.570 -11.665) 11.800 4.274 ( -3.756 -1.471 -1.657) 4.361 4.730 ( -7.469 6.381 8.075) 12.716 4.972 ( 9.668 -8.439 8.324) 15.296 5.406 ( -0.172 1.575 2.546) 2.998 5.536 ( 6.007 5.026 7.481) 10.831 5.887 ( -5.915 6.811 4.959) 10.294 7.037 ( -2.866 7.263 6.833) 10.376 7.924 ( 0.579 10.867 -21.380) 23.991 7.938 ( 0.440 2.134 -0.979) 2.389 8.379 ( -9.045 8.977 -0.167) 12.745 8.431 ( 0.025 -0.403 15.314) 15.320 9.500 ( 8.893 4.503 -5.913) 11.590 9.951 ( 32.675 -19.252 22.267) 43.978 10.306 ( -5.845 -2.611 4.990) 8.117 11.619 ( 7.842 6.264 -18.245) 20.823 12.226 ( 3.043 8.484 -9.988) 13.453 12.499 ( 4.385 6.306 -8.436) 11.409 13.755 ( 25.130 -4.247 0.333) 25.488 14.815 ( -2.717 -3.159 -2.127) 4.678 14.963 ( 3.054 4.321 2.893) 6.030 15.807 ( 0.333 -6.963 -11.719) 13.636 16.836 ( -60.648 -45.725 39.901) 85.796 19.080 ( -46.953 17.557 -29.863) 58.349 19.457 ( -0.170 -2.180 0.916) 2.371 19.760 ( -3.076 6.861 -1.225) 7.618 20.747 ( -7.611 0.318 6.885) 10.268 21.500 ( 73.655 -22.987 19.930) 79.691 24.079 ( 2.197 4.875 -3.900) 6.618 24.157 ( 6.614 22.679 -18.963) 30.293 ======================= Grid point 110 (42/230) ======================= q-point: ( 0.10 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 9.631 18.732 16.595) 26.815 1.254 ( 16.440 13.814 23.300) 31.687 1.975 ( 33.824 14.804 36.190) 51.700 3.415 ( -1.626 1.284 -4.129) 4.619 3.547 ( 8.068 -3.366 12.312) 15.100 3.745 ( 3.430 -1.855 -1.794) 4.292 4.028 ( -4.237 1.798 -11.688) 12.561 4.213 ( -0.507 -1.005 -1.460) 1.844 4.588 ( -7.528 10.269 5.438) 13.845 5.047 ( -0.418 -7.007 3.548) 7.866 5.415 ( -0.344 -0.595 4.342) 4.396 5.733 ( 5.554 9.990 9.338) 14.759 6.145 ( 22.648 -8.169 -10.767) 26.374 6.988 ( -3.535 7.477 6.108) 10.281 7.870 ( -1.297 6.618 -11.863) 13.646 7.932 ( -0.946 6.638 -5.241) 8.510 8.207 ( -8.774 7.199 0.152) 11.350 8.449 ( -1.700 0.154 18.004) 18.085 9.594 ( 1.073 3.344 0.001) 3.512 10.291 ( 4.893 -1.815 -0.149) 5.221 10.580 ( 23.710 -26.574 9.728) 36.919 11.774 ( 12.215 1.868 -18.245) 22.036 12.162 ( -6.981 6.181 -6.895) 11.596 12.630 ( 10.461 6.760 -6.471) 14.036 13.743 ( -32.738 -4.998 27.991) 43.362 14.735 ( -4.173 -4.963 -2.790) 7.059 14.987 ( -0.352 5.903 2.415) 6.388 15.748 ( -4.259 -7.968 -12.760) 15.635 16.068 ( -2.916 -1.381 9.629) 10.155 18.620 ( -3.138 8.619 -3.043) 9.664 19.419 ( -5.264 -1.034 0.530) 5.391 19.688 ( -5.030 5.739 -0.532) 7.650 20.493 ( -17.784 1.198 0.290) 17.826 22.761 ( 44.513 -42.003 3.953) 61.330 24.048 ( -3.502 2.857 -2.104) 4.985 24.264 ( 6.397 15.280 -16.694) 23.518 ======================= Grid point 111 (43/230) ======================= q-point: ( 0.20 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 18.817 8.685 12.895) 24.409 1.640 ( 17.460 9.848 21.098) 29.103 2.790 ( 39.710 7.100 24.089) 46.985 3.349 ( -4.567 2.031 -3.427) 6.060 3.653 ( -0.429 -1.557 5.765) 5.987 3.844 ( -3.781 -0.589 -2.890) 4.795 3.890 ( 2.599 -5.234 3.300) 6.712 4.223 ( 1.088 1.431 -6.660) 6.898 4.516 ( 1.021 12.013 2.376) 12.288 5.047 ( -0.239 -3.518 -0.421) 3.551 5.418 ( -0.432 -3.124 6.152) 6.913 5.825 ( 2.088 11.400 8.888) 14.606 6.429 ( 9.062 -9.139 -15.215) 19.928 6.933 ( -3.332 7.439 5.712) 9.953 7.817 ( -1.954 3.827 -7.621) 8.749 7.860 ( -5.728 6.352 -2.282) 8.852 8.045 ( -7.453 8.525 0.577) 11.339 8.457 ( -1.956 2.645 17.958) 18.257 9.602 ( 1.475 -0.417 2.517) 2.947 10.438 ( 8.955 0.650 -3.585) 9.668 10.948 ( 13.725 -15.207 4.005) 20.873 11.935 ( -13.174 3.445 -5.698) 14.761 11.993 ( 12.609 3.903 -17.232) 21.706 12.842 ( 7.839 2.853 5.010) 9.731 13.164 ( -22.189 7.000 36.828) 43.562 14.655 ( -3.818 -7.288 -3.371) 8.891 14.986 ( -1.281 6.334 -1.214) 6.576 15.588 ( -7.820 -9.049 -7.759) 14.256 16.388 ( 25.818 -2.588 -15.779) 30.369 18.674 ( 5.103 -0.817 8.163) 9.661 19.243 ( -12.875 -0.901 1.192) 12.961 19.570 ( -6.705 6.099 -0.094) 9.064 20.106 ( -19.690 1.550 -5.485) 20.499 23.375 ( 21.342 -29.803 2.326) 36.730 23.949 ( -5.255 2.599 -3.357) 6.756 24.320 ( 2.746 7.758 -9.420) 12.508 ======================= Grid point 112 (44/230) ======================= q-point: ( 0.30 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 22.295 3.133 9.917) 24.601 2.023 ( 16.766 7.602 17.654) 25.506 3.178 ( -9.593 1.454 -0.511) 9.716 3.509 ( -14.342 -1.273 1.690) 14.497 3.599 ( 33.129 2.392 11.773) 35.240 3.749 ( -0.404 2.925 -0.131) 2.956 3.958 ( -1.493 -3.307 3.753) 5.220 4.276 ( 7.982 -3.489 -10.701) 13.799 4.647 ( 9.970 10.689 5.257) 15.534 5.017 ( -2.741 -1.539 -3.069) 4.393 5.431 ( 0.057 -4.717 6.715) 8.206 5.846 ( -2.462 9.713 7.045) 12.249 6.477 ( 1.103 -4.637 -13.392) 14.215 6.894 ( -1.912 6.902 6.613) 9.748 7.709 ( -8.359 6.479 -0.520) 10.588 7.754 ( -3.719 1.756 -3.138) 5.173 7.930 ( -4.530 11.519 2.735) 12.676 8.448 ( -3.243 3.568 18.426) 19.046 9.706 ( 8.793 -1.572 -0.109) 8.933 10.582 ( 6.050 1.929 -2.522) 6.833 11.172 ( 9.070 -5.940 1.300) 10.920 11.628 ( -15.583 5.025 -4.770) 17.054 12.161 ( 6.296 5.815 -16.073) 18.216 12.781 ( -7.864 -0.974 34.180) 35.086 13.284 ( 18.278 2.416 0.041) 18.437 14.550 ( -6.779 -9.390 -4.393) 12.387 14.885 ( -8.338 6.429 -5.073) 11.687 15.458 ( -3.672 -8.190 -1.114) 9.044 16.867 ( 26.142 -0.773 -16.786) 31.077 18.788 ( 2.317 -1.338 11.118) 11.436 18.951 ( -15.727 -1.847 1.666) 15.923 19.418 ( -10.111 7.145 3.668) 12.913 19.773 ( -10.177 -0.482 -9.299) 13.794 23.636 ( 2.745 -13.920 3.294) 14.565 23.898 ( 4.491 -4.730 -6.696) 9.347 24.332 ( 0.319 2.999 -6.059) 6.768 ======================= Grid point 113 (45/230) ======================= q-point: ( 0.40 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 22.287 1.346 7.817) 23.656 2.349 ( 11.031 5.511 14.239) 18.836 2.958 ( -10.856 4.428 1.391) 11.807 3.191 ( -18.076 0.642 5.626) 18.942 3.679 ( -4.456 2.645 -7.833) 9.392 3.862 ( -1.544 -6.944 -1.726) 7.320 4.252 ( 20.171 3.362 -0.001) 20.449 4.437 ( 11.413 -7.983 -6.648) 15.433 4.865 ( 8.577 6.197 3.930) 11.288 4.935 ( -3.127 1.039 1.896) 3.801 5.433 ( -2.140 -3.497 5.889) 7.176 5.745 ( -8.594 7.822 4.319) 12.398 6.481 ( 3.335 0.008 -8.805) 9.415 6.899 ( 0.628 4.457 9.542) 10.550 7.556 ( -6.847 6.532 1.926) 9.657 7.666 ( -4.216 1.251 -2.024) 4.841 7.888 ( -0.742 15.594 5.602) 16.586 8.430 ( -2.831 2.331 19.401) 19.744 9.905 ( 10.399 0.249 -2.639) 10.731 10.657 ( 2.096 0.973 0.351) 2.338 11.275 ( -7.899 -0.376 2.642) 8.338 11.363 ( -0.578 3.038 -12.054) 12.444 12.146 ( -3.398 9.734 -9.272) 13.866 12.816 ( 2.554 -5.082 21.770) 22.501 13.683 ( 21.834 -2.649 -1.524) 22.047 14.318 ( -16.111 -9.267 -10.203) 21.203 14.719 ( -5.470 5.552 -0.733) 7.828 15.422 ( -1.013 -6.377 1.552) 6.641 17.309 ( 22.256 3.117 -12.397) 25.666 18.644 ( -11.880 0.875 -0.247) 11.915 18.810 ( -5.719 1.360 6.375) 8.672 19.203 ( -10.458 2.364 2.608) 11.035 19.716 ( 4.392 -2.565 0.644) 5.127 23.577 ( -5.282 -3.347 -1.234) 6.374 24.043 ( 8.581 -10.931 -6.544) 15.360 24.299 ( -2.502 0.058 -4.597) 5.235 ======================= Grid point 114 (46/230) ======================= q-point: (-0.50 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -12.849 3.995 5.563) 14.561 2.661 ( 6.818 7.501 11.113) 15.041 2.808 ( -4.010 -3.162 1.842) 5.429 2.993 ( 5.320 3.769 10.845) 12.654 3.546 ( -5.543 1.080 -13.102) 14.267 3.848 ( 0.219 -4.693 -3.117) 5.638 4.297 ( -9.879 -1.673 -14.316) 17.474 4.631 ( 2.613 -6.388 -8.589) 11.018 4.953 ( 8.190 -0.909 9.851) 12.843 5.032 ( 2.980 5.247 6.591) 8.935 5.336 ( -8.081 2.470 4.814) 9.725 5.626 ( -2.464 6.407 2.667) 7.364 6.577 ( 7.573 2.370 -3.846) 8.818 6.961 ( 2.813 0.572 13.306) 13.612 7.473 ( -1.570 5.695 1.490) 6.093 7.597 ( -2.248 0.894 -1.098) 2.657 7.925 ( 2.767 18.316 8.066) 20.203 8.437 ( -1.094 1.385 19.785) 19.864 10.037 ( 2.312 1.934 -2.884) 4.172 10.683 ( 0.651 -0.404 2.841) 2.943 10.984 ( -15.285 0.170 -12.264) 19.597 11.436 ( 4.629 5.368 -5.461) 8.948 12.034 ( -5.376 9.494 -8.242) 13.674 12.907 ( 1.163 -6.831 16.050) 17.481 13.911 ( -20.988 -5.659 -11.309) 24.503 14.104 ( 20.922 -6.747 -3.371) 22.240 14.686 ( 1.438 5.018 2.456) 5.769 15.404 ( -1.243 -6.004 0.951) 6.205 17.660 ( 15.156 7.670 -4.121) 17.479 18.467 ( -6.681 -0.199 -6.165) 9.093 18.661 ( -7.293 4.243 2.542) 8.812 19.089 ( -1.123 -1.356 0.884) 1.970 19.886 ( 10.151 -3.381 12.135) 16.178 23.470 ( -4.767 -4.516 -6.589) 9.303 24.155 ( 3.817 -11.329 -9.421) 15.221 24.217 ( -4.172 1.961 -1.859) 4.971 ======================= Grid point 115 (47/230) ======================= q-point: (-0.40 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -20.653 4.072 5.979) 21.884 2.342 ( -23.353 7.593 7.652) 25.721 3.095 ( 14.432 -3.356 2.148) 14.972 3.208 ( 9.133 1.096 8.236) 12.347 3.443 ( -0.187 2.325 -11.018) 11.262 3.799 ( -12.587 -4.389 -9.533) 16.388 3.937 ( -13.016 3.307 -6.904) 15.100 4.577 ( -4.837 -1.562 -7.437) 9.008 4.943 ( -8.267 -0.164 11.236) 13.950 5.159 ( 5.252 -3.512 4.040) 7.499 5.265 ( -0.132 6.118 4.282) 7.468 5.621 ( -0.129 8.301 0.667) 8.329 6.736 ( 8.485 3.062 -0.089) 9.021 7.058 ( 3.244 -3.428 15.242) 15.956 7.510 ( 5.100 3.581 -0.783) 6.280 7.578 ( 0.631 -0.333 -0.545) 0.898 8.027 ( 5.446 17.787 9.339) 20.815 8.481 ( 0.883 2.042 19.078) 19.207 9.954 ( -9.866 0.312 -1.084) 9.930 10.596 ( -15.938 -2.196 -16.908) 23.339 10.742 ( -0.578 2.669 -0.512) 2.779 11.502 ( 3.712 11.036 -6.322) 13.249 11.910 ( -4.810 7.084 -10.110) 13.249 12.924 ( -3.192 -9.229 14.608) 17.572 13.488 ( -18.542 -0.345 -9.567) 20.868 14.458 ( 14.810 -9.428 -1.463) 17.617 14.774 ( 6.709 6.188 0.735) 9.156 15.390 ( 0.433 -6.639 -0.541) 6.675 17.840 ( 0.985 7.495 9.098) 11.829 18.318 ( -3.736 0.757 -13.019) 13.566 18.662 ( 6.876 -0.095 1.036) 6.954 19.161 ( 7.860 1.110 0.319) 7.944 20.134 ( 11.095 -2.814 18.089) 21.406 23.340 ( -6.920 -11.027 -15.422) 20.182 24.078 ( -5.930 -4.118 -3.236) 7.912 24.214 ( 1.481 0.919 -7.228) 7.436 ======================= Grid point 116 (48/230) ======================= q-point: (-0.30 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -22.021 4.937 9.472) 24.474 1.876 ( -25.906 7.818 5.923) 27.700 3.075 ( -29.491 5.174 -2.565) 30.051 3.228 ( -2.449 -2.862 -9.581) 10.294 3.448 ( 2.429 -0.400 0.974) 2.648 3.584 ( 8.579 5.739 -0.704) 10.346 3.903 ( 2.026 -0.793 -0.451) 2.222 4.442 ( -5.942 3.936 -7.114) 10.070 4.835 ( -5.010 -3.965 12.571) 14.101 5.184 ( -2.996 -3.525 5.388) 7.102 5.306 ( 2.559 4.131 2.397) 5.418 5.593 ( -2.763 10.795 -0.881) 11.177 6.881 ( 5.440 2.560 2.576) 6.541 7.137 ( 0.390 -9.330 13.711) 16.589 7.621 ( 4.670 2.042 -3.236) 6.037 7.646 ( 8.022 -1.067 -1.318) 8.200 8.168 ( 6.163 13.668 10.312) 18.197 8.558 ( 2.637 4.840 16.033) 16.954 9.696 ( -14.827 -0.869 -0.685) 14.868 10.170 ( -21.180 -1.702 -26.117) 33.669 10.731 ( -2.813 2.993 2.521) 4.820 11.555 ( 3.346 19.333 -9.752) 21.911 11.820 ( -0.927 2.541 -10.013) 10.372 12.836 ( -8.863 -10.642 7.238) 15.627 13.196 ( -9.203 4.995 1.992) 10.659 14.671 ( 7.731 -6.241 2.435) 10.230 14.894 ( 4.025 4.141 -2.610) 6.337 15.456 ( 7.374 -7.718 -3.746) 11.313 17.745 ( -10.784 -8.516 14.658) 20.092 18.338 ( 7.694 11.467 -5.354) 14.811 18.888 ( 14.678 -2.840 -0.792) 14.971 19.363 ( 11.661 4.516 0.460) 12.513 20.392 ( 10.491 -1.708 20.219) 22.843 23.078 ( -16.029 -22.509 -27.844) 39.229 23.977 ( -3.351 2.323 -0.896) 4.175 24.207 ( -0.101 4.889 -8.826) 10.090 ======================= Grid point 117 (49/230) ======================= q-point: (-0.20 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -19.935 8.004 15.469) 26.472 1.363 ( -27.378 8.228 4.276) 28.906 2.362 ( -38.200 18.415 8.812) 43.313 3.189 ( 0.327 -3.611 -6.236) 7.213 3.516 ( 1.868 1.035 1.494) 2.606 3.688 ( 2.162 6.541 -7.562) 10.230 3.971 ( 4.084 -4.514 1.904) 6.378 4.350 ( -1.768 4.346 -5.193) 6.998 4.800 ( -2.390 -1.827 14.669) 14.974 5.091 ( -7.159 -4.243 4.118) 9.285 5.363 ( 2.566 2.406 2.449) 4.286 5.525 ( -3.258 12.471 -0.686) 12.908 6.907 ( -7.180 -10.453 0.912) 12.714 7.103 ( -5.331 -8.747 9.360) 13.875 7.747 ( 8.564 4.943 -0.882) 9.928 7.797 ( 7.967 -0.415 -7.934) 11.251 8.294 ( 3.590 6.563 11.925) 14.077 8.639 ( 1.568 8.908 7.682) 11.867 9.441 ( -8.818 0.427 -3.820) 9.620 9.680 ( -21.328 1.823 -19.336) 28.846 10.630 ( -7.916 1.426 3.492) 8.768 11.563 ( 0.834 18.373 -15.560) 24.091 11.876 ( 8.953 6.969 -8.083) 13.930 12.648 ( -9.184 -4.721 -2.364) 10.594 13.132 ( -0.299 4.866 16.208) 16.926 14.797 ( 4.732 -2.466 3.846) 6.577 14.910 ( -0.945 1.718 -2.394) 3.094 15.628 ( 10.149 -7.542 -8.046) 14.988 17.575 ( -9.780 -25.771 18.433) 33.159 18.607 ( 20.836 16.481 10.645) 28.620 19.174 ( 13.902 -1.757 -1.391) 14.082 19.583 ( 9.957 6.535 1.937) 12.067 20.625 ( 8.175 -1.003 18.560) 20.305 22.520 ( -35.031 -33.664 -42.220) 64.366 23.948 ( 0.850 8.675 -3.828) 9.520 24.177 ( -0.639 9.246 -8.950) 12.884 ======================= Grid point 118 (50/230) ======================= q-point: (-0.10 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -17.941 15.083 11.433) 26.078 0.956 ( -11.101 14.373 22.223) 28.700 1.727 ( -28.810 27.666 26.447) 47.905 3.223 ( 3.946 -4.057 0.993) 5.746 3.518 ( -1.608 3.939 -0.524) 4.287 3.685 ( 0.805 4.372 -7.337) 8.579 4.045 ( 3.789 -4.807 -4.380) 7.526 4.324 ( -0.932 2.068 -3.000) 3.761 4.785 ( -2.838 1.798 14.754) 15.132 4.946 ( -7.595 -3.552 3.410) 9.052 5.403 ( 0.832 2.225 0.342) 2.399 5.496 ( 0.238 10.776 3.830) 11.439 6.430 ( -38.057 -22.258 -5.272) 44.402 7.065 ( -1.862 5.662 7.764) 9.788 7.888 ( 4.489 0.445 -1.940) 4.911 7.920 ( 6.749 8.859 -16.263) 19.711 8.371 ( 1.960 0.661 13.129) 13.291 8.573 ( -8.789 11.473 -5.588) 15.495 9.369 ( 2.133 2.831 -5.826) 6.820 9.470 ( 6.732 2.711 15.502) 17.117 10.460 ( -9.828 -0.506 5.201) 11.131 11.555 ( 3.119 11.419 -17.459) 21.094 12.084 ( 12.695 13.058 -11.731) 21.663 12.509 ( -3.541 1.411 -5.849) 6.982 13.284 ( 13.643 5.889 18.701) 23.887 14.862 ( -1.061 -2.128 -1.123) 2.629 14.893 ( 2.392 2.500 2.932) 4.535 15.771 ( 6.169 -6.772 -10.856) 14.205 17.421 ( -14.422 -46.106 26.328) 55.018 19.217 ( 28.539 0.146 11.196) 30.657 19.438 ( 17.634 6.540 2.105) 18.925 19.766 ( 9.736 7.569 9.318) 15.456 20.757 ( -0.333 -2.094 11.154) 11.353 21.432 ( -60.825 -23.287 -45.329) 79.352 23.991 ( 5.273 14.185 -9.475) 17.855 24.147 ( -0.128 12.546 -8.858) 15.358 ======================= Grid point 119 (51/230) ======================= q-point: ( 0.00 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 5.136 20.969 18.089) 28.166 1.379 ( 4.823 23.174 17.174) 29.244 2.125 ( -2.941 33.636 20.666) 39.587 3.213 ( 6.969 -8.582 8.093) 13.701 3.575 ( -3.296 5.475 -3.653) 7.361 3.650 ( -2.358 -7.011 2.482) 7.802 4.096 ( 6.818 5.084 -11.031) 13.929 4.312 ( -5.476 3.454 -3.642) 7.428 4.838 ( -0.337 0.828 10.754) 10.791 4.858 ( -0.431 0.674 4.767) 4.834 5.395 ( -1.026 -2.886 0.255) 3.074 5.591 ( 3.546 0.125 6.864) 7.727 6.116 ( -0.704 13.506 1.826) 13.647 7.229 ( -1.216 10.593 6.350) 12.411 8.017 ( -0.412 5.413 0.459) 5.448 8.100 ( 3.191 7.683 -17.406) 19.292 8.388 ( -1.291 -1.554 13.446) 13.597 8.567 ( -6.628 6.872 2.970) 9.999 9.611 ( 9.597 5.723 -4.606) 12.086 9.767 ( 16.478 -0.387 19.634) 25.635 10.225 ( -8.189 -5.476 3.296) 10.388 11.444 ( 3.149 -16.780 -4.819) 17.740 12.381 ( -1.115 7.822 -1.223) 7.995 12.729 ( 5.019 12.048 -13.673) 18.902 13.683 ( 11.840 -2.576 -4.295) 12.856 14.746 ( -3.596 -3.569 -3.595) 6.212 15.025 ( 4.413 -0.090 1.339) 4.612 15.599 ( -0.748 -12.180 -10.823) 16.311 16.235 ( -25.658 -17.542 24.167) 39.371 19.250 ( -18.492 2.710 -28.959) 34.466 19.420 ( -7.445 -0.963 -0.450) 7.520 19.908 ( -1.950 7.014 -3.422) 8.044 20.756 ( -5.251 0.517 9.022) 10.452 21.169 ( 37.707 -11.896 17.534) 43.252 24.164 ( 0.249 4.554 -1.398) 4.771 24.417 ( 2.828 5.292 -9.811) 11.501 ======================= Grid point 120 (52/230) ======================= q-point: ( 0.10 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 3.475 21.637 14.660) 26.366 1.581 ( 11.792 17.010 19.278) 28.285 2.388 ( 22.683 23.420 20.278) 38.395 3.384 ( 6.475 -7.744 10.541) 14.595 3.533 ( 1.068 5.829 -2.260) 6.342 3.624 ( -0.258 -9.330 -0.231) 9.336 4.075 ( -7.469 2.029 -9.863) 12.537 4.286 ( 4.209 7.413 -2.347) 8.842 4.789 ( -4.734 8.249 6.648) 11.604 4.905 ( 2.077 -5.595 3.766) 7.057 5.398 ( 0.143 -1.951 1.464) 2.443 5.802 ( 12.775 -3.588 4.712) 14.081 6.167 ( 5.217 9.345 -0.807) 10.734 7.198 ( -3.322 11.937 6.978) 14.220 7.956 ( -3.151 3.862 -4.051) 6.423 8.144 ( 1.455 12.879 -8.605) 15.557 8.336 ( -4.620 1.983 3.348) 6.041 8.499 ( -2.322 7.002 13.259) 15.173 9.651 ( -4.784 1.288 1.416) 5.152 10.224 ( 10.774 -4.759 -4.904) 12.758 10.252 ( 22.667 -6.122 20.760) 31.341 11.562 ( 9.581 -17.258 -3.181) 19.994 12.306 ( -6.116 8.051 -2.912) 10.522 12.832 ( 8.365 10.051 -9.856) 16.375 13.675 ( -14.195 -1.682 7.289) 16.045 14.640 ( -6.083 -4.195 -5.188) 9.028 15.078 ( 1.009 1.136 3.390) 3.715 15.501 ( -6.302 -13.845 -11.091) 18.826 16.022 ( 4.139 -2.862 4.830) 6.975 18.766 ( -13.435 5.103 -15.173) 20.899 19.395 ( -3.599 -1.171 -1.078) 3.935 19.832 ( -5.174 7.631 -2.942) 9.678 20.527 ( -17.109 2.084 3.767) 17.642 22.062 ( 41.523 -26.997 12.892) 51.178 24.125 ( -3.779 4.448 -1.610) 6.054 24.430 ( 0.550 3.098 -7.642) 8.264 ======================= Grid point 121 (53/230) ======================= q-point: ( 0.20 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 9.884 15.443 11.973) 21.898 1.893 ( 15.291 14.110 15.220) 25.779 2.941 ( 25.189 6.177 13.389) 29.187 3.442 ( 0.567 2.543 5.176) 5.794 3.587 ( -0.753 -0.921 5.217) 5.350 3.710 ( 10.362 -7.618 -0.651) 12.877 3.875 ( -9.095 0.440 -5.123) 10.448 4.335 ( 0.312 8.463 -6.325) 10.570 4.744 ( 0.229 8.750 5.538) 10.358 4.946 ( 1.387 -5.275 0.601) 5.487 5.399 ( -0.268 0.550 2.955) 3.017 5.974 ( 3.142 0.002 4.715) 5.666 6.298 ( 7.910 -0.016 -6.671) 10.347 7.138 ( -4.576 11.192 7.888) 14.436 7.887 ( -3.483 3.608 -2.431) 5.573 8.080 ( -5.596 14.557 -0.606) 15.608 8.269 ( -2.874 11.130 -1.058) 11.543 8.515 ( -0.579 3.863 14.813) 15.319 9.563 ( -1.591 -3.576 1.394) 4.155 10.433 ( 11.648 -1.434 -7.230) 13.784 10.745 ( 20.385 -4.390 17.612) 27.295 11.766 ( 9.859 -14.727 -5.718) 18.622 12.148 ( -7.518 9.080 -3.180) 12.210 12.985 ( 6.891 7.784 -5.490) 11.757 13.318 ( -18.508 7.941 18.600) 27.415 14.505 ( -6.524 -7.218 -5.861) 11.359 15.106 ( 0.116 4.415 1.478) 4.657 15.321 ( -8.318 -15.399 -7.577) 19.072 16.339 ( 25.230 -1.925 -11.522) 27.803 18.643 ( 0.906 -2.137 -2.977) 3.775 19.237 ( -12.237 0.399 0.206) 12.245 19.709 ( -6.223 6.651 -2.952) 9.575 20.156 ( -20.382 3.462 0.463) 20.679 22.763 ( 28.224 -28.307 7.054) 40.591 24.016 ( -6.552 3.777 -3.161) 8.196 24.408 ( -1.119 1.471 -4.700) 5.051 ======================= Grid point 122 (54/230) ======================= q-point: ( 0.30 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 16.758 7.596 8.058) 20.087 2.229 ( 15.504 11.957 11.447) 22.680 3.192 ( -1.436 -0.723 0.623) 1.725 3.425 ( -11.751 -7.656 6.016) 15.261 3.624 ( 6.285 -0.153 2.787) 6.876 3.784 ( 2.803 -2.210 -2.557) 4.391 3.964 ( 15.252 7.162 7.432) 18.416 4.292 ( -0.153 5.060 -12.051) 13.071 4.829 ( 5.665 4.471 4.193) 8.346 4.950 ( -0.728 -3.538 0.153) 3.615 5.411 ( 0.720 2.795 4.523) 5.366 5.970 ( -4.248 0.979 3.978) 5.901 6.414 ( 5.972 0.322 -7.977) 9.970 7.063 ( -4.777 8.518 8.537) 12.971 7.802 ( -4.726 3.397 0.059) 5.820 7.959 ( -6.748 17.738 0.857) 18.998 8.230 ( -0.596 15.050 2.195) 15.221 8.505 ( -3.995 2.736 15.599) 16.333 9.650 ( 10.255 -3.873 -2.138) 11.169 10.602 ( 6.748 -0.552 -5.897) 8.978 11.114 ( 13.349 0.136 14.879) 19.990 11.726 ( -10.880 3.194 -12.549) 16.913 12.168 ( 8.840 -2.799 -2.630) 9.638 12.890 ( -12.276 10.214 16.896) 23.249 13.322 ( 11.419 1.091 1.255) 11.539 14.341 ( -9.351 -11.072 -6.544) 15.902 14.999 ( -9.026 4.186 -6.261) 11.756 15.244 ( 0.261 -11.074 2.537) 11.364 16.857 ( 29.814 0.087 -15.983) 33.828 18.718 ( 5.291 -5.160 2.727) 7.878 18.953 ( -15.657 1.950 0.804) 15.798 19.578 ( -8.390 6.895 3.775) 11.497 19.774 ( -16.339 1.506 -4.567) 17.032 23.223 ( 17.910 -23.376 4.775) 29.833 23.866 ( -7.157 0.172 -6.920) 9.957 24.369 ( -1.892 0.739 -2.718) 3.393 ======================= Grid point 123 (55/230) ======================= q-point: ( 0.40 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 19.336 1.166 4.446) 19.875 2.523 ( 10.731 11.006 6.821) 16.817 3.074 ( -8.422 5.901 3.434) 10.842 3.145 ( -15.856 -5.572 5.397) 17.652 3.680 ( -0.439 -9.586 -0.872) 9.635 3.752 ( -3.685 3.230 -6.614) 8.231 4.299 ( 4.779 -4.701 -13.261) 14.859 4.360 ( 15.883 7.332 3.603) 17.861 4.853 ( -1.273 -5.208 -5.802) 7.899 5.026 ( 5.974 4.071 12.257) 14.229 5.443 ( 1.005 4.693 4.927) 6.878 5.842 ( -8.896 1.284 3.357) 9.594 6.519 ( 6.932 4.281 -5.430) 9.791 7.003 ( -3.274 5.098 9.423) 11.203 7.713 ( -4.336 3.494 0.997) 5.657 7.824 ( -6.843 18.746 0.128) 19.957 8.259 ( 2.333 16.497 5.636) 17.588 8.461 ( -3.748 3.121 17.369) 18.040 9.898 ( 13.969 -1.167 -4.794) 14.815 10.664 ( 0.974 -0.714 -2.193) 2.504 11.279 ( -4.777 0.805 5.115) 7.045 11.509 ( -0.987 10.999 -8.521) 13.949 12.279 ( 1.678 0.256 -8.866) 9.027 12.770 ( -4.014 3.386 19.821) 20.505 13.587 ( 14.632 -6.985 -0.094) 16.215 14.095 ( -13.753 -11.964 -9.011) 20.334 14.841 ( -4.597 6.129 -3.154) 8.285 15.259 ( -0.085 -8.598 2.922) 9.082 17.393 ( 28.115 4.859 -14.909) 32.193 18.673 ( -12.182 2.090 -0.397) 12.366 18.818 ( 3.270 -1.188 2.762) 4.442 19.294 ( -19.371 6.675 6.628) 21.534 19.642 ( 2.206 -4.479 0.260) 5.000 23.471 ( 3.973 -8.618 4.005) 10.300 23.741 ( -0.681 -14.841 -12.083) 19.150 24.324 ( -2.090 1.651 -1.672) 3.145 ======================= Grid point 124 (56/230) ======================= q-point: (-0.50 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -10.435 8.852 -0.382) 13.689 2.666 ( 12.260 -4.211 0.938) 12.997 2.862 ( -12.618 4.633 7.405) 15.346 3.046 ( 5.856 2.422 10.236) 12.039 3.561 ( -6.099 -2.195 -10.019) 11.933 3.753 ( 2.102 -1.818 -4.119) 4.969 4.243 ( -7.306 -3.815 -11.846) 14.431 4.522 ( 1.535 -3.440 -11.910) 12.492 4.936 ( 8.805 -0.531 8.777) 12.444 5.118 ( -1.274 2.483 9.712) 10.105 5.448 ( -1.986 8.058 3.936) 9.186 5.714 ( -2.595 1.600 3.430) 4.589 6.663 ( 8.446 6.239 -1.693) 10.636 6.982 ( -1.594 1.277 11.029) 11.216 7.646 ( -2.396 3.366 0.161) 4.135 7.713 ( -4.006 16.755 -0.999) 17.256 8.335 ( 3.580 16.125 7.948) 18.330 8.454 ( -1.224 4.795 18.279) 18.937 10.073 ( 2.489 0.735 -6.013) 6.549 10.674 ( 1.423 -0.368 2.352) 2.773 11.013 ( -15.358 2.799 -12.552) 20.032 11.621 ( 7.795 12.631 2.208) 15.006 12.206 ( -5.459 4.262 -10.699) 12.745 12.769 ( -2.078 -3.898 15.390) 16.011 13.740 ( -12.089 -11.081 -5.347) 17.249 13.925 ( 12.442 -10.133 -4.742) 16.732 14.820 ( 2.483 7.608 -0.330) 8.010 15.248 ( -1.549 -8.503 1.899) 8.850 17.864 ( 22.077 11.437 -8.407) 26.247 18.462 ( -9.637 0.120 -5.169) 10.937 18.792 ( -10.367 8.046 4.788) 13.969 19.045 ( -0.600 -3.030 1.022) 3.254 19.785 ( 9.949 -6.355 11.510) 16.488 23.359 ( -11.190 -6.399 -9.310) 15.901 23.822 ( 7.214 -18.220 -4.458) 20.097 24.285 ( -1.283 3.195 -1.949) 3.956 ======================= Grid point 125 (57/230) ======================= q-point: (-0.40 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -19.399 10.406 3.495) 22.290 2.462 ( -20.204 3.605 0.959) 20.545 3.018 ( 11.455 -3.618 -0.050) 12.013 3.206 ( 6.186 -0.513 5.915) 8.574 3.476 ( 0.075 -1.809 -7.617) 7.830 3.732 ( -4.971 -0.479 -6.739) 8.388 4.030 ( -8.441 5.564 -5.542) 11.530 4.495 ( -0.035 -6.299 -11.072) 12.738 4.975 ( -11.236 3.292 11.418) 16.354 5.121 ( 4.123 -0.103 6.147) 7.402 5.421 ( -1.277 8.598 4.622) 9.844 5.743 ( 2.803 2.610 0.798) 3.912 6.831 ( 8.444 6.214 1.502) 10.591 6.970 ( -3.146 -4.238 12.271) 13.358 7.634 ( 1.666 3.767 -1.157) 4.278 7.674 ( 0.553 12.366 -2.389) 12.607 8.426 ( 2.713 19.535 10.381) 22.288 8.501 ( 2.410 1.027 15.984) 16.198 9.948 ( -12.108 -1.348 -3.440) 12.660 10.590 ( -15.660 1.615 -12.350) 20.009 10.809 ( 1.079 3.955 -2.332) 4.716 11.786 ( 8.974 16.025 1.051) 18.397 12.042 ( -8.333 2.821 -12.012) 14.889 12.740 ( -3.712 -5.803 10.278) 12.373 13.455 ( -12.511 -2.952 -6.500) 14.405 14.218 ( 15.461 -14.088 -0.732) 20.929 14.908 ( 5.550 6.589 -1.256) 8.706 15.221 ( -0.804 -8.744 1.312) 8.878 18.019 ( -14.748 8.440 8.722) 19.100 18.379 ( 9.698 6.448 -12.318) 16.951 18.644 ( 0.885 -1.924 -0.260) 2.134 19.196 ( 12.347 2.245 0.536) 12.561 20.047 ( 12.653 -5.656 17.696) 22.478 23.048 ( -17.337 -16.615 -18.515) 30.322 23.934 ( 4.604 -7.652 -0.543) 8.947 24.271 ( 0.699 3.123 -3.917) 5.058 ======================= Grid point 126 (58/230) ======================= q-point: (-0.30 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -18.801 13.168 7.583) 24.174 2.033 ( -23.111 7.939 -0.958) 24.456 3.093 ( -1.750 -5.187 -6.091) 8.189 3.222 ( -13.705 2.991 1.116) 14.072 3.452 ( 4.175 -0.559 -3.772) 5.654 3.698 ( 6.440 4.828 0.325) 8.055 3.922 ( -4.320 4.112 -1.650) 6.188 4.490 ( 1.358 -1.462 -8.428) 8.661 4.790 ( -7.925 1.638 10.128) 12.964 5.147 ( -3.375 0.026 7.496) 8.221 5.414 ( -0.543 5.777 3.484) 6.768 5.773 ( -0.034 5.228 -1.370) 5.405 6.865 ( -9.527 -8.491 7.427) 14.766 7.003 ( 6.676 3.330 6.701) 10.027 7.716 ( 7.050 3.816 -4.510) 9.198 7.722 ( 4.999 8.956 -1.059) 10.311 8.466 ( -1.284 15.312 14.265) 20.967 8.627 ( 6.361 2.142 9.226) 11.409 9.667 ( -14.339 -2.097 -1.743) 14.596 10.189 ( -19.978 3.917 -16.786) 26.386 10.801 ( -3.829 3.505 1.081) 5.303 11.825 ( -9.887 -3.832 -11.612) 15.725 11.993 ( 11.322 20.585 -1.313) 23.530 12.692 ( -2.257 -0.790 2.136) 3.206 13.254 ( -6.719 0.814 -0.570) 6.792 14.499 ( 12.837 -11.157 1.356) 17.062 14.969 ( 0.348 1.988 -3.729) 4.240 15.270 ( 6.285 -8.223 -0.238) 10.353 17.608 ( -25.110 -4.388 11.497) 27.963 18.518 ( 7.835 3.383 -3.967) 9.412 18.882 ( 18.766 4.953 -1.978) 19.509 19.465 ( 14.105 4.897 0.365) 14.935 20.341 ( 12.355 -3.303 20.357) 24.041 22.580 ( -25.738 -24.194 -25.994) 43.858 24.004 ( 2.886 0.817 0.345) 3.019 24.293 ( 2.531 2.904 -5.900) 7.046 ======================= Grid point 127 (59/230) ======================= q-point: (-0.20 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -14.294 18.034 11.622) 25.780 1.589 ( -20.774 13.665 0.410) 24.869 2.774 ( -24.886 18.776 8.421) 32.292 3.083 ( -0.489 -6.571 -5.179) 8.381 3.574 ( 5.630 4.299 0.649) 7.113 3.816 ( -5.432 0.094 -0.610) 5.467 3.846 ( 6.844 -1.305 -3.288) 7.704 4.465 ( -1.822 5.914 -7.341) 9.601 4.762 ( 1.389 -1.457 11.629) 11.802 5.043 ( -8.218 -0.451 6.523) 10.502 5.415 ( -0.070 2.190 2.103) 3.037 5.739 ( -2.971 5.980 -1.521) 6.848 6.602 ( -18.303 -10.798 4.211) 21.664 7.133 ( 4.668 5.207 6.440) 9.507 7.826 ( 6.720 4.494 -5.587) 9.827 7.896 ( 10.638 6.157 -1.073) 12.337 8.445 ( -4.123 8.777 11.990) 15.420 8.742 ( 2.153 2.106 5.617) 6.374 9.447 ( -5.792 0.001 -3.534) 6.785 9.778 ( -17.295 7.932 -8.967) 21.034 10.662 ( -10.309 1.336 2.343) 10.656 11.610 ( -8.642 -9.481 -9.932) 16.224 12.214 ( 10.591 17.738 -2.331) 20.790 12.670 ( 1.122 8.901 -10.037) 13.462 13.210 ( 2.200 2.275 6.684) 7.395 14.714 ( 8.363 -6.083 3.067) 10.787 14.931 ( -2.134 -1.140 -3.793) 4.499 15.429 ( 9.273 -9.815 -4.818) 14.336 17.149 ( -24.938 -15.310 16.526) 33.607 18.754 ( 17.143 -1.312 0.430) 17.199 19.251 ( 18.632 9.380 0.189) 20.860 19.719 ( 11.058 5.987 1.835) 12.708 20.602 ( 8.863 -1.091 19.025) 21.017 21.900 ( -37.143 -25.668 -31.324) 54.951 24.062 ( 3.346 4.396 -0.976) 5.610 24.334 ( 3.052 4.606 -7.106) 9.001 ======================= Grid point 128 (60/230) ======================= q-point: (-0.10 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -7.873 20.942 9.566) 24.333 1.338 ( -5.404 22.949 15.234) 28.070 2.341 ( -20.696 29.569 16.125) 39.531 3.102 ( 3.092 -7.655 1.514) 8.393 3.632 ( -0.446 6.758 0.313) 6.780 3.709 ( -4.836 -5.566 2.241) 7.706 3.970 ( 7.841 1.689 -10.440) 13.166 4.408 ( -2.867 4.917 -5.258) 7.748 4.821 ( 0.353 1.990 12.461) 12.623 4.899 ( -6.234 -1.346 4.722) 7.935 5.417 ( -0.266 -1.031 0.454) 1.157 5.645 ( -6.683 0.983 1.944) 7.029 6.249 ( -14.787 3.141 2.214) 15.278 7.210 ( 1.700 7.811 6.298) 10.177 7.943 ( 6.159 4.801 -4.508) 9.017 8.077 ( 6.532 6.739 -6.526) 11.431 8.381 ( -3.397 0.883 10.213) 10.799 8.702 ( -6.388 2.940 2.313) 7.403 9.449 ( 5.882 3.873 -6.957) 9.899 9.572 ( -1.227 8.301 10.003) 13.056 10.437 ( -12.685 -1.802 4.096) 13.451 11.465 ( -3.691 -14.084 -7.424) 16.343 12.356 ( 4.088 10.371 -0.874) 11.182 12.686 ( 3.461 13.625 -16.690) 21.821 13.389 ( 14.273 3.803 3.097) 15.093 14.802 ( -0.713 -3.542 -0.479) 3.645 14.929 ( 3.865 -0.964 -0.144) 3.986 15.569 ( 5.966 -11.617 -8.740) 15.714 16.705 ( -26.000 -23.693 23.188) 42.131 19.128 ( 17.802 -5.782 -3.611) 19.063 19.595 ( 12.936 7.302 -2.654) 15.090 19.902 ( 6.547 5.431 5.027) 9.881 20.713 ( -3.350 -1.965 7.669) 8.597 21.100 ( -27.864 -11.170 -15.138) 33.621 24.128 ( 3.360 4.903 -1.818) 6.215 24.377 ( 3.233 6.200 -8.795) 11.236 ======================= Grid point 129 (61/230) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 4.398 19.110 14.013) 24.102 1.857 ( 0.748 22.501 13.872) 26.444 2.726 ( -0.697 21.344 5.772) 22.122 3.014 ( 5.547 -9.715 9.183) 14.473 3.394 ( -4.522 -12.871 5.074) 14.555 3.773 ( -2.049 10.897 -0.520) 11.100 4.199 ( 3.662 2.699 -7.539) 8.805 4.417 ( -2.775 7.418 -2.637) 8.348 4.811 ( -2.134 -0.746 4.466) 5.005 4.931 ( 1.251 2.955 7.374) 8.042 5.295 ( -0.409 -6.402 -1.468) 6.581 5.549 ( 2.563 -3.968 6.539) 8.067 6.359 ( -0.380 9.174 -1.318) 9.276 7.447 ( 0.882 10.561 7.176) 12.799 8.118 ( -0.034 1.609 3.777) 4.106 8.202 ( -0.989 1.084 -11.330) 11.424 8.442 ( 5.795 9.513 9.055) 14.356 8.678 ( -3.331 4.662 7.137) 9.152 9.694 ( 9.750 2.147 -4.279) 10.862 9.900 ( 8.946 11.378 14.865) 20.748 10.087 ( -11.947 -6.850 1.475) 13.851 11.051 ( 1.784 -20.406 0.500) 20.490 12.591 ( -1.776 12.540 -0.832) 12.692 12.924 ( 2.593 6.847 -8.948) 11.562 13.649 ( 7.300 -0.922 -5.090) 8.947 14.667 ( -3.767 -4.735 -4.559) 7.576 14.860 ( 4.235 -15.142 -1.162) 15.766 15.437 ( -0.084 -2.116 -7.655) 7.943 16.001 ( -14.288 -7.088 13.103) 20.642 19.259 ( 1.507 -0.801 -25.021) 25.079 19.421 ( -19.767 0.699 -6.749) 20.899 20.038 ( 0.850 5.496 -7.065) 8.991 20.767 ( -0.874 0.542 12.289) 12.332 20.968 ( 20.100 -7.959 17.196) 27.623 24.261 ( 0.108 4.743 -1.107) 4.872 24.458 ( 0.790 -0.327 -4.009) 4.099 ======================= Grid point 130 (62/230) ======================= q-point: ( 0.10 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 2.672 19.706 12.198) 23.329 1.933 ( 8.016 17.203 15.955) 24.794 2.828 ( 9.163 17.290 4.756) 20.138 3.178 ( 7.871 -11.325 11.694) 18.082 3.360 ( 0.153 -14.091 1.600) 14.182 3.764 ( 2.040 13.963 1.169) 14.159 4.103 ( -9.410 1.409 -5.333) 10.907 4.459 ( 5.276 8.111 -3.640) 10.338 4.809 ( 0.506 -2.604 1.381) 2.991 4.919 ( -3.626 2.323 6.471) 7.773 5.337 ( 4.147 -3.005 0.295) 5.130 5.691 ( 9.156 -6.395 5.167) 12.306 6.361 ( 0.842 7.822 -1.644) 8.037 7.437 ( -3.800 10.852 8.874) 14.524 8.042 ( -3.744 4.198 -1.851) 5.922 8.267 ( 3.831 -5.496 2.286) 7.078 8.478 ( -1.157 17.152 0.827) 17.210 8.701 ( 1.320 10.836 10.211) 14.947 9.635 ( -11.960 -2.797 1.793) 12.412 10.114 ( 13.239 -6.881 -3.685) 15.369 10.258 ( 21.010 6.332 15.966) 27.137 11.174 ( 10.152 -19.362 2.565) 22.012 12.518 ( -5.196 12.550 -2.791) 13.867 12.987 ( 5.446 4.838 -6.937) 10.059 13.662 ( -5.659 0.192 0.770) 5.714 14.548 ( -7.565 -6.016 -7.167) 12.032 14.915 ( 2.011 -14.810 1.041) 14.982 15.358 ( -5.426 0.134 -7.113) 8.947 15.963 ( 9.046 -2.575 1.280) 9.492 18.836 ( -17.875 2.104 -19.784) 26.747 19.375 ( -1.627 -0.706 -3.487) 3.912 19.979 ( -5.073 6.328 -7.354) 10.948 20.576 ( -15.811 2.622 7.846) 17.845 21.617 ( 33.754 -17.007 15.490) 40.847 24.221 ( -3.996 4.727 -1.238) 6.312 24.443 ( -1.216 -1.151 -3.466) 3.849 ======================= Grid point 131 (63/230) ======================= q-point: ( 0.20 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 3.511 17.525 10.672) 20.817 2.190 ( 13.160 14.056 11.312) 22.332 3.035 ( 9.214 3.459 1.623) 9.975 3.290 ( -0.912 -11.514 10.721) 15.758 3.439 ( 8.344 -12.268 -3.027) 15.142 3.868 ( -4.361 0.206 0.170) 4.369 3.914 ( 4.613 18.757 4.035) 19.733 4.518 ( 0.576 8.175 -7.061) 10.818 4.807 ( -0.914 -2.107 -3.004) 3.781 4.877 ( -0.806 -2.381 7.213) 7.638 5.428 ( 4.538 2.475 1.738) 5.453 5.861 ( 5.707 -7.939 3.555) 10.403 6.392 ( 3.271 5.955 -2.173) 7.133 7.347 ( -7.322 8.700 9.497) 14.815 7.970 ( -3.907 4.327 0.118) 5.831 8.321 ( 0.860 -2.143 9.298) 9.581 8.457 ( -1.683 17.831 -4.529) 18.474 8.727 ( -0.779 15.629 10.966) 19.108 9.463 ( -3.134 -5.977 -0.683) 6.783 10.365 ( 12.279 -5.760 -6.918) 15.225 10.741 ( 22.152 3.482 19.457) 29.689 11.430 ( 14.198 -16.479 1.619) 21.812 12.384 ( -7.271 13.882 -3.533) 16.064 13.078 ( 4.097 0.767 -5.146) 6.622 13.476 ( -11.817 7.370 7.323) 15.735 14.343 ( -11.175 -9.729 -7.749) 16.720 14.953 ( 1.375 -13.588 0.674) 13.674 15.235 ( -5.009 3.510 -5.078) 7.949 16.310 ( 25.893 -0.947 -9.944) 27.753 18.595 ( -3.914 -2.326 -8.929) 10.023 19.254 ( -9.682 1.070 -3.168) 10.243 19.819 ( -8.851 3.814 -7.715) 12.345 20.248 ( -18.857 5.282 7.472) 20.960 22.256 ( 28.084 -20.530 9.972) 36.189 24.096 ( -8.345 3.854 -2.873) 9.631 24.404 ( -1.754 -1.334 -2.343) 3.217 ======================= Grid point 132 (64/230) ======================= q-point: ( 0.30 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 9.012 11.658 6.857) 16.253 2.480 ( 13.964 11.275 7.774) 19.559 3.149 ( 1.911 -3.160 -1.604) 4.026 3.219 ( -8.120 -10.617 6.812) 15.002 3.583 ( 3.788 -6.281 -1.340) 7.456 3.708 ( -2.874 -1.220 -4.097) 5.151 4.209 ( 15.908 14.159 8.987) 23.115 4.439 ( -4.766 8.108 -9.643) 13.470 4.767 ( -2.351 -6.171 -8.717) 10.936 4.927 ( 3.593 -2.341 10.558) 11.396 5.516 ( 3.705 6.313 3.196) 7.987 5.904 ( -2.110 -5.779 3.709) 7.184 6.490 ( 7.278 5.601 -2.789) 9.598 7.215 ( -7.871 6.208 9.199) 13.606 7.884 ( -5.092 4.174 2.290) 6.970 8.297 ( -7.273 -3.638 -0.810) 8.172 8.419 ( 0.569 22.116 7.621) 23.399 8.736 ( -0.618 17.644 10.848) 20.722 9.550 ( 11.816 -6.089 -3.268) 13.689 10.540 ( 7.047 -5.931 -6.178) 11.091 11.156 ( 14.680 3.857 17.339) 23.044 11.661 ( 7.921 -8.720 -6.532) 13.471 12.258 ( -3.660 12.396 0.629) 12.940 13.048 ( -7.429 1.532 4.069) 8.608 13.357 ( -0.340 4.445 2.366) 5.047 14.091 ( -12.427 -13.533 -6.775) 19.582 14.956 ( -0.750 -7.445 -3.029) 8.073 15.157 ( -2.294 2.689 -0.250) 3.543 16.871 ( 33.319 1.109 -15.456) 36.746 18.604 ( 5.107 -5.302 -1.633) 7.541 19.009 ( -13.675 3.090 -3.055) 14.349 19.633 ( -7.705 -0.715 -4.620) 9.013 19.882 ( -20.741 7.821 7.880) 23.526 22.763 ( 22.262 -19.990 6.034) 30.522 23.879 ( -12.825 0.824 -5.824) 14.110 24.371 ( -1.097 -0.294 -1.527) 1.903 ======================= Grid point 133 (65/230) ======================= q-point: ( 0.40 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 11.776 3.830 3.139) 12.775 2.759 ( 12.682 9.427 4.336) 16.386 2.982 ( -14.802 -7.450 3.510) 16.939 3.152 ( -2.490 0.298 1.224) 2.790 3.539 ( -4.230 -2.634 0.200) 4.987 3.755 ( 3.767 -3.481 -8.139) 9.621 4.269 ( -4.580 1.831 -14.095) 14.933 4.536 ( 6.021 8.073 -1.425) 10.171 4.716 ( 4.388 -6.157 -1.263) 7.665 5.045 ( 4.791 -1.935 13.429) 14.388 5.584 ( 2.316 7.393 4.039) 8.737 5.819 ( -6.758 -2.618 4.566) 8.566 6.651 ( 9.324 7.691 -2.042) 12.258 7.099 ( -5.989 4.524 8.998) 11.717 7.790 ( -4.945 3.664 2.802) 6.763 8.112 ( -9.193 -1.751 -5.149) 10.681 8.465 ( 0.930 20.217 12.044) 23.551 8.765 ( 0.897 18.554 11.136) 21.659 9.836 ( 15.774 -5.846 -4.134) 17.322 10.616 ( 2.401 -4.068 -2.834) 5.509 11.310 ( -3.609 2.482 0.820) 4.456 11.742 ( 6.241 8.323 -3.940) 11.124 12.249 ( -0.295 2.582 3.006) 3.974 12.902 ( -7.693 5.658 10.299) 14.045 13.398 ( 3.270 -10.516 -1.446) 11.107 13.852 ( -9.688 -11.111 -6.403) 16.072 14.933 ( 0.015 0.859 -4.269) 4.355 15.129 ( -1.349 -1.956 2.534) 3.474 17.498 ( 33.872 5.057 -16.364) 37.956 18.724 ( -6.733 1.707 1.456) 7.097 18.766 ( 3.252 -2.453 -3.775) 5.553 19.457 ( -24.197 8.207 10.779) 27.732 19.542 ( -1.057 -4.818 -0.054) 4.933 23.169 ( 18.359 -17.610 3.068) 25.624 23.572 ( -16.566 -3.110 -8.709) 18.972 24.352 ( -0.640 0.965 -1.633) 2.002 ======================= Grid point 134 (66/230) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 7.081 -4.433 -0.544) 8.372 2.676 ( -15.983 1.374 2.610) 16.253 2.966 ( 5.361 8.862 1.448) 10.458 3.107 ( -0.139 2.302 4.301) 4.881 3.444 ( -4.817 -5.952 -4.329) 8.795 3.777 ( 0.788 0.162 -7.413) 7.456 4.160 ( -2.676 -2.327 -13.559) 14.015 4.473 ( -4.086 -2.839 -15.268) 16.058 4.944 ( 10.778 1.887 12.656) 16.730 5.136 ( 0.025 -0.559 12.627) 12.640 5.621 ( 0.236 7.445 3.295) 8.145 5.708 ( -3.931 -1.172 5.247) 6.660 6.828 ( 8.694 9.033 0.379) 12.543 7.015 ( -5.352 2.561 9.142) 10.898 7.715 ( -2.933 2.941 1.743) 4.505 7.948 ( -5.620 -1.034 -6.986) 9.025 8.516 ( 1.826 18.270 11.727) 21.787 8.808 ( 0.222 17.887 12.371) 21.750 10.021 ( 1.336 -7.005 -4.628) 8.501 10.669 ( 3.861 -0.195 2.402) 4.552 11.095 ( -12.831 5.056 -14.229) 19.815 11.913 ( 9.277 12.320 2.605) 15.641 12.183 ( -6.624 -1.181 0.212) 6.732 12.798 ( -5.299 4.567 7.766) 10.452 13.459 ( 1.036 -15.965 -0.013) 15.999 13.723 ( 0.490 -8.700 -6.615) 10.941 14.950 ( 2.305 2.184 -3.490) 4.718 15.109 ( -1.122 -2.227 3.010) 3.909 18.095 ( 30.453 10.292 -12.899) 34.637 18.488 ( -11.884 2.451 -4.644) 12.993 18.960 ( -15.154 7.444 6.242) 18.000 18.973 ( 0.192 -3.421 3.234) 4.712 19.638 ( 8.816 -7.536 10.561) 15.686 23.170 ( -19.643 -12.580 -14.839) 27.646 23.525 ( 15.241 -8.487 3.964) 17.889 24.335 ( -0.601 1.667 -2.423) 3.002 ======================= Grid point 135 (67/230) ======================= q-point: (-0.40 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -15.840 3.708 3.250) 16.589 2.533 ( -9.275 5.117 -2.294) 10.838 2.982 ( 0.141 0.931 -2.257) 2.446 3.217 ( 7.798 2.370 2.102) 8.417 3.355 ( -3.181 -8.013 -5.748) 10.361 3.748 ( -1.393 -1.086 -4.883) 5.193 4.138 ( 2.162 4.434 -6.826) 8.422 4.363 ( -2.925 -5.194 -13.150) 14.438 5.051 ( -7.491 3.457 12.726) 15.166 5.146 ( 3.346 2.214 8.917) 9.778 5.591 ( -3.283 7.301 3.893) 8.902 5.730 ( 3.271 -3.023 2.904) 5.317 6.904 ( -8.267 -2.172 7.588) 11.430 6.988 ( 6.919 9.024 4.754) 12.325 7.700 ( 1.687 2.603 -0.755) 3.192 7.870 ( -0.612 1.729 -7.538) 7.758 8.597 ( 3.740 13.872 9.974) 17.490 8.822 ( -1.984 16.301 13.072) 20.989 9.874 ( -12.969 -6.618 -2.510) 14.774 10.636 ( -11.643 1.903 -5.727) 13.114 10.910 ( -0.638 6.107 -7.128) 9.408 11.912 ( -11.870 -9.857 -5.434) 16.358 12.186 ( 9.280 18.872 6.734) 22.082 12.749 ( -0.117 4.731 1.090) 4.856 13.379 ( -6.705 -3.980 -4.151) 8.834 13.885 ( 14.350 -17.930 -1.477) 23.013 14.967 ( -0.783 -3.855 -3.240) 5.096 15.128 ( 3.140 2.825 2.550) 4.934 18.154 ( -25.435 5.344 5.568) 26.580 18.539 ( -10.630 -0.937 -3.142) 11.124 18.635 ( 25.038 10.038 -7.436) 27.981 19.242 ( 15.054 1.744 1.211) 15.203 19.907 ( 14.626 -7.712 16.995) 23.711 22.704 ( -23.922 -15.584 -18.539) 34.041 23.809 ( 12.620 -4.269 2.503) 13.555 24.320 ( -0.103 1.540 -3.492) 3.818 ======================= Grid point 136 (68/230) ======================= q-point: (-0.30 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -13.073 10.423 4.287) 17.260 2.250 ( -16.764 14.290 -1.604) 22.087 2.958 ( -1.740 -7.000 -6.174) 9.495 3.226 ( -8.397 -5.338 -0.116) 9.951 3.415 ( 10.632 0.390 -2.612) 10.955 3.768 ( 4.259 0.507 0.332) 4.302 4.062 ( -9.439 8.178 -1.141) 12.541 4.399 ( 8.642 -5.191 -9.109) 13.586 4.892 ( -9.157 6.453 6.716) 13.062 5.174 ( -3.539 2.193 9.841) 10.685 5.523 ( -4.335 4.526 2.370) 6.700 5.781 ( 0.398 -3.762 1.237) 3.980 6.722 ( -11.473 -4.360 5.872) 13.606 7.132 ( 6.425 7.738 6.105) 11.765 7.777 ( 6.526 2.262 -3.868) 7.916 7.883 ( 3.285 3.480 -4.549) 6.603 8.692 ( 2.686 9.449 6.833) 11.966 8.793 ( -3.423 12.856 12.096) 17.981 9.598 ( -12.932 -5.011 -0.835) 13.894 10.318 ( -16.364 7.842 -10.139) 20.787 10.863 ( -5.771 2.615 0.127) 6.337 11.612 ( -15.986 -14.954 -4.378) 22.324 12.395 ( 8.878 18.904 5.757) 21.664 12.815 ( 7.577 10.095 -7.240) 14.551 13.240 ( -5.529 -1.538 -3.301) 6.620 14.198 ( 16.726 -18.122 -0.435) 24.665 14.912 ( -3.525 -6.090 -2.762) 7.559 15.224 ( 5.491 2.786 0.414) 6.171 17.564 ( -34.062 -0.325 11.092) 35.824 18.477 ( 4.596 -4.915 -5.828) 8.902 19.094 ( 21.984 13.347 -2.829) 25.874 19.543 ( 15.026 2.204 -0.169) 15.188 20.257 ( 15.911 -4.727 20.524) 26.395 22.143 ( -28.858 -17.553 -22.400) 40.530 24.021 ( 8.488 0.915 1.282) 8.633 24.325 ( 1.827 0.447 -4.275) 4.671 ======================= Grid point 137 (69/230) ======================= q-point: (-0.20 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -10.036 14.962 2.662) 18.212 1.952 ( -11.977 21.980 5.841) 25.704 2.901 ( -2.656 -8.134 -3.454) 9.228 3.040 ( -9.695 1.608 2.541) 10.151 3.582 ( 3.583 -2.711 2.165) 4.988 3.840 ( -3.462 8.225 3.371) 9.539 3.912 ( 3.254 2.596 -2.922) 5.086 4.537 ( 4.804 -0.235 -8.367) 9.651 4.778 ( -2.317 3.832 6.312) 7.739 5.066 ( -8.880 2.372 8.647) 12.619 5.438 ( -4.586 -0.055 0.291) 4.596 5.727 ( -6.304 -5.601 1.240) 8.524 6.518 ( -9.306 0.583 2.603) 9.681 7.266 ( 5.724 7.679 6.142) 11.378 7.915 ( 7.719 3.505 -7.253) 11.157 7.980 ( 7.638 0.724 1.964) 7.919 8.637 ( -8.817 9.691 4.792) 13.950 8.800 ( -0.248 4.776 7.583) 8.965 9.428 ( -2.890 -2.189 -1.427) 3.896 10.000 ( -13.277 13.400 -3.612) 19.206 10.677 ( -13.058 0.160 1.871) 13.193 11.309 ( -13.345 -18.164 -2.925) 22.728 12.533 ( 4.248 15.066 3.856) 16.121 12.942 ( 4.574 14.612 -15.657) 21.899 13.218 ( 6.234 -1.441 1.352) 6.539 14.504 ( 14.111 -15.542 -0.598) 21.001 14.830 ( -3.941 -6.538 -3.054) 8.222 15.328 ( 5.218 -0.014 -2.043) 5.603 16.935 ( -32.421 -6.348 13.559) 35.711 18.669 ( 15.844 -5.057 -5.293) 17.453 19.476 ( 17.407 11.170 -0.067) 20.683 19.808 ( 11.820 2.419 -0.693) 12.085 20.584 ( 11.335 -0.675 20.099) 23.085 21.475 ( -33.202 -15.932 -23.148) 43.497 24.150 ( 5.024 4.273 -0.380) 6.606 24.372 ( 3.665 -0.348 -4.125) 5.529 ======================= Grid point 138 (70/230) ======================= q-point: (-0.10 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -4.817 19.144 7.867) 21.250 1.841 ( -2.802 24.592 11.009) 27.089 2.806 ( -7.231 8.432 4.491) 11.981 2.939 ( -0.132 -4.066 3.976) 5.689 3.510 ( -8.064 -8.876 6.291) 13.542 3.810 ( -1.090 9.804 1.920) 10.050 4.060 ( 9.941 4.333 -7.038) 12.928 4.512 ( -3.855 5.197 -5.358) 8.401 4.836 ( 3.691 -1.492 5.100) 6.470 4.912 ( -7.122 3.263 8.082) 11.255 5.351 ( -3.997 -5.083 -1.727) 6.693 5.583 ( -6.897 -5.074 4.447) 9.648 6.395 ( -3.663 7.527 -0.089) 8.371 7.379 ( 4.172 8.828 6.099) 11.512 8.031 ( 5.797 1.019 -2.387) 6.352 8.180 ( 10.758 3.493 -0.780) 11.337 8.435 ( -10.767 5.112 2.910) 12.269 8.760 ( -5.045 3.810 6.590) 9.132 9.491 ( 8.953 0.090 -3.960) 9.790 9.828 ( -3.933 15.918 6.691) 17.710 10.387 ( -16.506 -2.826 3.093) 17.030 11.103 ( -6.767 -19.955 -1.439) 21.120 12.593 ( 1.415 13.310 1.297) 13.447 12.929 ( -0.206 9.057 -11.857) 14.922 13.441 ( 13.563 1.738 -3.983) 14.242 14.720 ( 4.866 -6.847 0.900) 8.448 14.759 ( 0.708 -13.155 -5.490) 14.273 15.410 ( 3.747 -2.482 -4.922) 6.665 16.385 ( -26.745 -9.329 15.297) 32.192 19.018 ( 19.212 -4.569 -8.538) 21.515 19.729 ( 4.287 5.607 -5.724) 9.087 19.986 ( 6.164 2.792 -3.121) 7.452 20.682 ( -7.881 -1.010 5.026) 9.401 20.925 ( -9.484 -6.322 3.186) 11.835 24.228 ( 3.191 4.879 -1.264) 5.965 24.430 ( 2.883 -0.053 -3.969) 4.905 ======================= Grid point 139 (71/230) ======================= q-point: ( 0.00 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 3.721 12.376 9.501) 16.040 2.241 ( -2.921 12.120 14.399) 19.046 2.776 ( 6.810 -4.948 6.732) 10.778 2.919 ( 4.862 -7.931 -0.084) 9.303 3.266 ( -10.128 1.748 6.851) 12.352 4.009 ( -0.429 10.190 -0.313) 10.204 4.193 ( 1.796 -2.772 -0.331) 3.319 4.584 ( -1.528 7.215 -3.775) 8.285 4.780 ( -2.822 -2.821 4.289) 5.859 4.971 ( -0.243 0.984 5.654) 5.744 5.171 ( 2.190 -4.156 -1.262) 4.864 5.463 ( 2.070 -3.127 4.870) 6.146 6.480 ( -0.529 2.809 -2.403) 3.734 7.653 ( 1.110 8.347 8.836) 12.205 8.016 ( 3.918 -7.087 4.362) 9.198 8.252 ( -8.829 1.985 -6.100) 10.914 8.629 ( 16.881 4.675 9.235) 19.802 8.793 ( -3.635 6.090 4.458) 8.377 9.703 ( 13.942 -0.993 -3.808) 14.487 9.912 ( -18.938 -4.385 4.083) 19.863 10.246 ( 3.174 17.379 7.189) 19.073 10.636 ( 2.648 -19.669 4.252) 20.297 12.838 ( -2.011 8.723 -1.879) 9.147 13.014 ( 0.801 2.086 -6.605) 6.973 13.641 ( 5.833 0.032 -3.482) 6.793 14.463 ( -0.412 -11.019 -7.495) 13.333 14.672 ( 1.213 -2.299 0.203) 2.607 15.439 ( 0.955 0.672 -7.197) 7.291 15.910 ( -11.275 -2.112 8.937) 14.542 19.242 ( 8.222 -0.522 -22.986) 24.418 19.434 ( -23.603 0.392 -10.599) 25.876 20.121 ( 3.070 2.285 -11.289) 11.920 20.779 ( 11.417 0.656 18.366) 21.635 20.847 ( 1.839 -3.538 15.495) 16.000 24.352 ( 0.135 4.013 -1.352) 4.236 24.424 ( 0.037 -2.672 -1.661) 3.146 ======================= Grid point 140 (72/230) ======================= q-point: ( 0.10 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 6.089 10.398 10.579) 16.034 2.253 ( 1.363 11.164 13.307) 17.423 2.959 ( 8.670 -6.766 10.123) 14.947 3.024 ( 6.142 -3.367 -4.103) 8.118 3.130 ( -4.468 -1.986 5.130) 7.086 3.969 ( -4.213 3.083 -1.293) 5.378 4.220 ( 1.834 9.866 5.809) 11.595 4.575 ( 2.193 2.701 -4.969) 6.066 4.737 ( -2.310 -5.113 0.979) 5.695 4.918 ( -4.506 -0.516 1.716) 4.850 5.313 ( 9.409 0.390 1.706) 9.570 5.569 ( 6.698 -4.340 5.320) 9.592 6.467 ( -0.032 2.581 -2.129) 3.346 7.624 ( -6.323 6.266 10.366) 13.664 8.100 ( 0.231 0.007 3.623) 3.630 8.142 ( 1.116 -3.593 0.355) 3.779 8.758 ( -0.641 6.758 5.231) 8.570 8.938 ( 10.532 11.407 7.342) 17.174 9.535 ( -17.191 -6.042 1.507) 18.284 9.987 ( 13.915 -4.011 -4.332) 15.115 10.453 ( 15.697 11.265 10.288) 21.889 10.808 ( 12.958 -15.256 7.423) 21.349 12.770 ( -4.038 9.526 -3.594) 10.953 13.029 ( 1.675 -0.397 -5.870) 6.118 13.682 ( -1.124 1.424 0.402) 1.858 14.354 ( -8.640 -9.614 -7.879) 15.138 14.716 ( 2.905 -3.520 0.436) 4.585 15.384 ( -4.112 1.063 -6.234) 7.544 15.925 ( 11.309 -1.026 -0.510) 11.367 18.862 ( -19.910 0.557 -20.815) 28.810 19.366 ( -0.274 -0.209 -5.381) 5.392 20.074 ( -5.428 2.524 -11.222) 12.719 20.625 ( -14.400 1.685 10.396) 17.840 21.368 ( 29.158 -6.667 17.203) 34.505 24.311 ( -4.425 3.857 -1.212) 5.994 24.399 ( -1.572 -2.761 -1.845) 3.674 ======================= Grid point 141 (73/230) ======================= q-point: ( 0.20 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 1.718 13.253 9.990) 16.685 2.407 ( 8.394 4.464 10.024) 13.816 3.083 ( 0.534 -3.314 4.805) 5.861 3.087 ( 1.986 -1.548 1.835) 3.115 3.203 ( 10.631 -8.819 -4.256) 14.453 3.847 ( -7.335 -0.915 1.839) 7.618 4.321 ( 6.378 18.053 9.551) 21.396 4.628 ( 2.469 1.746 -6.350) 7.033 4.696 ( -0.406 -9.899 -2.213) 10.151 4.825 ( -4.907 -0.329 -1.798) 5.236 5.495 ( 8.212 3.226 2.822) 9.264 5.711 ( 5.648 -5.520 5.141) 9.424 6.484 ( 2.639 2.468 -0.837) 3.709 7.481 ( -9.857 3.928 10.223) 14.734 8.045 ( -4.057 2.458 0.998) 4.848 8.223 ( 1.369 -4.365 8.449) 9.608 8.786 ( 2.042 10.206 3.465) 10.970 9.052 ( 0.663 14.928 5.373) 15.879 9.312 ( -3.800 -9.219 -1.024) 10.023 10.220 ( 10.784 -6.023 -4.136) 13.026 10.867 ( 21.856 7.895 13.786) 27.020 11.132 ( 17.026 -11.756 6.969) 21.832 12.672 ( -4.864 11.766 -3.935) 13.326 13.022 ( -1.945 -5.136 -4.590) 7.157 13.626 ( -4.167 6.651 3.506) 8.596 14.100 ( -14.961 -11.100 -6.975) 19.891 14.782 ( 3.582 -3.335 0.217) 4.899 15.291 ( -3.790 1.509 -5.143) 6.564 16.298 ( 27.021 -0.292 -9.746) 28.726 18.559 ( -7.051 -0.983 -10.868) 12.992 19.273 ( -7.550 0.545 -6.059) 9.696 19.866 ( -12.294 1.013 -9.740) 15.718 20.344 ( -16.609 3.037 10.536) 19.902 21.955 ( 26.797 -7.999 11.316) 30.168 24.161 ( -10.464 2.027 -3.004) 11.074 24.372 ( -0.714 -1.270 -1.143) 1.852 ======================= Grid point 142 (74/230) ======================= q-point: ( 0.30 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 3.076 11.961 7.191) 14.291 2.591 ( 7.756 -2.851 8.286) 11.702 3.072 ( -2.533 -0.091 1.468) 2.929 3.108 ( 0.514 -1.977 -1.292) 2.417 3.411 ( 11.567 -7.417 -8.776) 16.304 3.721 ( -6.160 0.847 5.175) 8.089 4.457 ( 1.452 7.478 1.267) 7.722 4.607 ( 2.741 8.734 -0.559) 9.171 4.668 ( -5.291 -2.359 -14.970) 16.052 4.811 ( 4.994 -8.616 9.911) 14.050 5.636 ( 5.168 4.823 3.733) 7.994 5.784 ( 0.234 -5.065 5.399) 7.406 6.587 ( 8.176 2.897 -0.042) 8.674 7.315 ( -9.005 3.082 9.678) 13.574 7.955 ( -5.549 2.295 3.247) 6.826 8.162 ( -9.021 -5.441 4.490) 11.451 8.853 ( 4.116 14.419 2.906) 15.274 9.075 ( 0.539 15.303 6.806) 16.757 9.376 ( 9.789 -11.550 -1.167) 15.185 10.392 ( 7.913 -6.060 -3.415) 10.536 11.275 ( 13.938 7.483 9.609) 18.509 11.465 ( 15.878 -9.336 4.417) 18.941 12.575 ( -4.263 15.820 -0.968) 16.413 12.927 ( -6.253 -10.893 -0.498) 12.570 13.529 ( -8.538 11.209 0.269) 14.093 13.796 ( -11.840 -14.491 -3.621) 19.060 14.848 ( 2.981 -2.582 -0.236) 3.951 15.213 ( -3.024 1.764 -3.983) 5.303 16.893 ( 35.751 0.706 -15.239) 38.870 18.522 ( 4.295 -2.268 -3.233) 5.835 19.061 ( -11.973 1.572 -6.840) 13.879 19.607 ( -11.018 -1.036 -4.656) 12.006 20.015 ( -20.105 3.936 10.913) 23.212 22.463 ( 23.129 -8.098 6.832) 25.441 23.893 ( -15.734 0.420 -5.394) 16.638 24.364 ( 0.062 -0.255 -1.086) 1.117 ======================= Grid point 143 (75/230) ======================= q-point: ( 0.40 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 2.970 6.036 3.943) 7.797 2.701 ( -0.025 -8.328 8.066) 11.594 3.045 ( 2.207 6.853 -2.944) 7.778 3.113 ( 0.545 -2.299 -1.431) 2.763 3.550 ( 0.293 1.575 -5.305) 5.541 3.650 ( 0.953 -4.642 -1.878) 5.098 4.348 ( -6.761 5.014 -13.422) 15.843 4.502 ( -6.442 -6.734 -17.994) 20.264 4.790 ( 10.469 8.778 12.310) 18.390 4.960 ( 6.421 -6.086 14.112) 16.656 5.701 ( -0.287 3.615 5.240) 6.373 5.765 ( -1.976 -2.132 5.084) 5.857 6.782 ( 10.673 3.821 0.101) 11.337 7.191 ( -5.795 3.679 9.470) 11.697 7.850 ( -5.830 2.209 3.221) 7.018 7.954 ( -10.939 -7.534 -0.013) 13.283 8.937 ( 3.317 15.688 1.365) 16.093 9.089 ( -0.603 15.008 7.174) 16.646 9.626 ( 12.647 -13.792 3.432) 19.025 10.528 ( 7.237 -3.058 -1.680) 8.034 11.375 ( -2.995 2.861 -8.442) 9.403 11.782 ( 13.828 -1.517 6.768) 15.470 12.481 ( -6.518 16.776 3.403) 18.317 12.846 ( -1.273 -12.271 7.590) 14.485 13.268 ( -13.597 -0.806 -4.597) 14.375 13.671 ( -3.054 -5.481 -2.653) 6.812 14.892 ( 1.552 -2.163 -0.649) 2.740 15.161 ( -1.339 2.096 -2.324) 3.404 17.581 ( 37.652 2.449 -16.856) 41.325 18.680 ( 11.142 -2.286 1.928) 11.536 18.796 ( -12.912 1.844 -7.867) 15.232 19.458 ( -3.599 -2.471 3.895) 5.851 19.594 ( -25.495 3.888 9.683) 27.548 22.887 ( 18.242 -7.905 2.293) 20.013 23.542 ( -17.349 -0.485 -6.472) 18.523 24.364 ( 0.074 0.248 -1.703) 1.723 ======================= Grid point 144 (76/230) ======================= q-point: (-0.50 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -1.894 -2.041 0.935) 2.938 2.655 ( -3.744 -1.374 5.503) 6.796 3.112 ( 0.470 -0.994 1.068) 1.532 3.161 ( 7.378 6.040 -5.714) 11.116 3.426 ( -9.511 5.167 0.213) 10.826 3.671 ( -0.188 -8.888 -11.214) 14.310 4.212 ( -2.277 6.342 -15.608) 17.000 4.370 ( -2.708 -6.817 -14.963) 16.665 5.015 ( 8.475 4.338 14.245) 17.134 5.099 ( 3.486 -3.043 14.897) 15.599 5.663 ( -2.799 -0.867 5.884) 6.573 5.751 ( -1.694 2.883 3.885) 5.126 6.947 ( 3.926 1.884 1.485) 4.600 7.131 ( -2.368 7.176 9.637) 12.247 7.741 ( -4.562 -2.267 0.593) 5.129 7.803 ( -3.601 -5.137 -3.090) 6.993 8.979 ( 1.084 16.923 -1.184) 16.999 9.090 ( -1.405 11.531 9.629) 15.088 9.778 ( 0.176 -14.264 5.840) 15.414 10.666 ( 5.298 -0.063 2.666) 5.931 11.199 ( -8.919 3.823 -19.241) 21.549 11.938 ( -2.755 -3.328 2.112) 4.809 12.401 ( 1.452 14.788 6.873) 16.372 12.847 ( -3.661 -1.798 9.431) 10.275 13.149 ( 5.120 -10.782 -2.539) 12.203 13.595 ( -3.971 -3.389 -6.486) 8.326 14.902 ( -0.343 -2.658 -0.893) 2.825 15.158 ( 1.533 2.768 -0.884) 3.285 18.251 ( 33.606 4.274 -14.883) 37.002 18.541 ( -10.612 1.726 -8.669) 13.811 18.931 ( 10.360 -0.355 6.045) 12.000 19.060 ( -27.554 1.874 10.651) 29.601 19.512 ( 6.995 -3.632 8.592) 11.660 22.939 ( -16.625 -7.073 -12.871) 22.183 23.442 ( 12.501 -1.306 3.836) 13.141 24.356 ( -0.399 0.434 -2.607) 2.673 ======================= Grid point 145 (77/230) ======================= q-point: (-0.40 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -6.898 -0.605 0.511) 6.943 2.619 ( -2.026 1.987 3.589) 4.576 3.048 ( -7.500 3.815 -5.519) 10.063 3.205 ( -7.917 -5.526 -5.943) 11.337 3.335 ( 7.312 8.533 0.817) 11.268 3.629 ( 0.304 -9.097 -6.536) 11.205 4.208 ( 5.076 2.383 -13.444) 14.566 4.304 ( -2.343 -1.235 -8.761) 9.152 5.101 ( -4.164 1.291 14.165) 14.820 5.192 ( 3.526 1.588 10.405) 11.100 5.663 ( 1.075 -2.233 5.611) 6.134 5.699 ( -4.404 2.730 2.730) 5.857 6.876 ( -10.019 -0.648 3.891) 10.767 7.173 ( 3.455 7.120 9.429) 12.310 7.731 ( 2.818 -0.329 -1.969) 3.453 7.779 ( 2.409 -5.143 -6.393) 8.551 8.981 ( -0.434 15.701 -1.313) 15.762 9.069 ( -3.429 8.877 10.067) 13.853 9.669 ( -11.141 -11.653 6.110) 17.241 10.650 ( -7.722 -0.098 0.537) 7.741 11.044 ( -2.734 5.375 -14.506) 15.710 11.703 ( -17.950 -7.356 0.243) 19.401 12.571 ( 10.730 15.822 7.210) 20.432 12.816 ( 1.327 -0.421 1.537) 2.074 13.325 ( 5.971 -0.174 -1.674) 6.204 13.535 ( 4.587 -13.604 -6.208) 15.641 14.874 ( -2.268 -2.930 -1.092) 3.863 15.210 ( 3.666 2.749 -0.457) 4.605 18.268 ( -27.646 5.859 5.748) 28.838 18.427 ( -11.662 -6.488 -3.830) 13.884 18.905 ( 26.210 10.850 -10.756) 30.338 19.239 ( 14.619 -2.185 5.213) 15.674 19.766 ( 15.643 -4.589 15.812) 22.711 22.467 ( -25.381 -6.449 -16.835) 31.132 23.756 ( 15.755 -1.144 3.344) 16.147 24.338 ( -0.588 0.353 -3.483) 3.550 ======================= Grid point 146 (78/230) ======================= q-point: (-0.30 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -6.457 4.502 1.134) 7.953 2.548 ( -6.898 11.204 4.274) 13.834 2.857 ( -7.754 -0.304 -7.392) 10.717 3.018 ( -8.851 -12.292 -5.660) 16.170 3.513 ( 9.166 7.707 0.706) 11.996 3.686 ( 5.741 -7.653 1.042) 9.624 4.209 ( -6.010 5.160 -2.340) 8.260 4.322 ( 8.700 -2.520 -11.340) 14.513 5.000 ( -7.497 3.236 7.288) 10.945 5.219 ( -3.429 1.682 9.464) 10.206 5.588 ( -7.328 1.630 1.453) 7.646 5.684 ( -1.589 -3.775 4.298) 5.937 6.672 ( -9.869 -0.953 3.140) 10.400 7.283 ( 5.421 5.554 9.619) 12.360 7.809 ( 6.408 0.885 -3.801) 7.503 7.849 ( 4.725 -3.926 -6.189) 8.720 8.962 ( -1.293 11.332 0.540) 11.418 8.989 ( -7.172 7.118 6.945) 12.261 9.453 ( -10.219 -8.121 5.005) 13.980 10.458 ( -9.881 4.311 -3.147) 11.230 10.928 ( -8.460 3.779 -4.333) 10.228 11.316 ( -20.686 -11.116 0.550) 23.490 12.744 ( 4.747 13.472 4.888) 15.098 12.953 ( 12.012 -0.352 -0.435) 12.025 13.269 ( -4.839 6.484 -10.267) 13.072 13.810 ( 18.545 -16.506 -1.727) 24.887 14.814 ( -3.472 -2.658 -1.186) 4.530 15.286 ( 3.972 2.028 -1.083) 4.589 17.574 ( -39.321 0.678 11.805) 41.061 18.387 ( 5.516 -2.804 -7.720) 9.894 19.358 ( 20.651 11.058 -6.227) 24.238 19.534 ( 14.584 -3.559 1.477) 15.084 20.167 ( 19.789 -3.083 20.642) 28.761 21.893 ( -29.014 -6.349 -19.042) 35.280 24.038 ( 12.114 0.534 1.968) 12.284 24.324 ( 0.331 -0.216 -3.998) 4.018 ======================= Grid point 147 (79/230) ======================= q-point: (-0.20 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -5.291 8.387 1.994) 10.115 2.400 ( -8.110 19.796 8.068) 22.864 2.733 ( -4.229 -6.299 -3.630) 8.410 2.875 ( -3.917 -14.311 -3.130) 15.164 3.606 ( -2.457 3.199 5.820) 7.081 3.854 ( 10.546 -2.619 0.683) 10.888 4.095 ( -3.717 8.992 0.594) 9.748 4.474 ( 8.740 -4.185 -8.681) 13.010 4.876 ( -5.861 3.824 3.715) 7.923 5.114 ( -8.570 1.557 7.891) 11.753 5.426 ( -9.024 -0.476 -0.682) 9.062 5.604 ( -6.939 -4.479 3.554) 8.991 6.543 ( -4.004 0.858 1.222) 4.273 7.423 ( 6.394 6.051 8.759) 12.418 7.906 ( 2.380 -4.097 -2.837) 5.523 7.978 ( 11.782 0.975 -3.601) 12.358 8.808 ( -12.595 4.770 3.074) 13.814 8.929 ( -2.576 6.672 1.386) 7.285 9.354 ( -0.001 -4.121 2.692) 4.922 10.279 ( -7.753 11.077 0.214) 13.522 10.688 ( -15.192 2.022 0.322) 15.330 10.939 ( -17.105 -15.544 1.275) 23.148 12.819 ( 2.513 10.719 1.921) 11.176 13.115 ( -2.121 -2.530 -3.768) 5.009 13.251 ( 11.595 8.401 -8.119) 16.460 14.153 ( 16.166 -13.955 -3.871) 21.704 14.740 ( -3.561 -2.121 -1.047) 4.275 15.354 ( 3.394 1.187 -2.417) 4.332 16.859 ( -35.657 -1.576 12.083) 37.681 18.589 ( 16.574 -2.221 -7.725) 18.421 19.677 ( 12.648 7.725 1.988) 14.953 19.808 ( 13.685 -2.403 -6.477) 15.329 20.574 ( 15.167 -0.322 20.947) 25.864 21.252 ( -31.365 -5.587 -17.654) 36.424 24.230 ( 7.130 3.046 0.468) 7.768 24.342 ( 2.553 -1.942 -3.525) 4.766 ======================= Grid point 148 (80/230) ======================= q-point: (-0.10 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -2.082 11.598 5.255) 12.902 2.294 ( -5.534 16.968 13.041) 22.105 2.689 ( 0.753 -6.023 1.629) 6.284 2.852 ( 1.608 -11.566 -0.646) 11.695 3.467 ( -11.301 2.230 7.725) 13.870 4.000 ( 2.344 6.481 0.087) 6.893 4.116 ( 5.392 1.495 -0.150) 5.597 4.591 ( 3.739 1.553 -5.982) 7.223 4.811 ( -1.711 0.063 4.418) 4.738 4.975 ( -5.448 1.688 6.795) 8.871 5.252 ( -7.683 -3.138 -1.928) 8.520 5.482 ( -4.976 -3.601 4.043) 7.354 6.499 ( -1.125 2.461 -1.045) 2.900 7.562 ( 5.454 7.639 7.981) 12.320 7.947 ( 2.507 -6.204 0.934) 6.756 8.246 ( 15.559 2.132 -2.502) 15.903 8.538 ( -13.924 3.067 2.086) 14.410 8.866 ( -4.262 4.938 3.444) 7.376 9.462 ( 10.040 -1.990 -1.084) 10.293 10.160 ( -6.132 12.591 6.109) 15.279 10.365 ( -16.391 4.009 1.699) 16.959 10.688 ( -8.428 -19.531 2.215) 21.387 12.853 ( 0.621 9.425 0.000) 9.445 13.043 ( -2.155 1.995 -7.073) 7.659 13.479 ( 11.292 1.929 -5.001) 12.500 14.394 ( 9.069 -12.802 -5.938) 16.775 14.680 ( -2.001 -1.423 -0.559) 2.518 15.407 ( 2.914 0.596 -4.462) 5.363 16.271 ( -26.671 -2.506 11.576) 29.183 18.952 ( 20.786 -1.713 -10.977) 23.569 19.814 ( -3.037 2.385 -5.724) 6.905 20.019 ( 9.684 0.610 -11.195) 14.815 20.672 ( -14.811 -0.125 2.629) 15.043 20.836 ( 2.390 -2.326 15.499) 15.854 24.323 ( 3.028 4.239 -1.398) 5.394 24.397 ( 2.941 -2.823 -1.822) 4.466 ======================= Grid point 189 (81/230) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -3.419 0.000 24.759) 24.994 1.256 ( 9.317 0.000 27.113) 28.669 2.385 ( 9.064 0.000 48.046) 48.893 3.344 ( -2.993 0.000 -2.727) 4.049 3.431 ( 4.424 0.000 -11.620) 12.434 3.620 ( 12.722 0.000 7.147) 14.593 4.020 ( -3.859 0.000 4.546) 5.963 4.202 ( -0.865 0.000 -8.467) 8.511 4.846 ( -12.365 0.000 9.933) 15.860 5.142 ( 3.330 0.000 0.446) 3.360 5.523 ( 4.397 0.000 7.428) 8.632 5.642 ( 7.772 0.000 8.044) 11.186 5.992 ( -12.665 0.000 9.122) 15.608 7.145 ( -3.389 0.000 9.577) 10.159 7.442 ( 2.805 0.000 -14.389) 14.660 7.994 ( -4.589 0.000 8.334) 9.513 8.255 ( -6.739 0.000 -2.200) 7.089 8.860 ( 3.663 0.000 22.157) 22.458 9.261 ( 11.050 0.000 -10.256) 15.076 10.432 ( -5.510 0.000 4.278) 6.976 10.448 ( 30.240 0.000 0.051) 30.240 10.928 ( -2.861 0.000 -14.300) 14.584 11.921 ( 6.306 0.000 -10.881) 12.576 12.311 ( 5.041 0.000 -9.740) 10.967 13.915 ( 13.987 0.000 5.193) 14.920 14.859 ( -0.639 0.000 -2.358) 2.443 14.954 ( -1.587 0.000 4.146) 4.440 15.560 ( 2.620 0.000 -16.729) 16.933 18.079 ( -94.665 0.000 0.812) 94.668 18.341 ( 15.706 0.000 0.315) 15.709 19.517 ( 0.339 0.000 1.696) 1.729 19.673 ( -1.320 0.000 -0.408) 1.382 20.919 ( -17.211 0.000 10.042) 19.927 21.936 ( 73.071 0.000 -5.670) 73.291 23.566 ( 3.697 0.000 2.423) 4.420 24.003 ( -1.342 0.000 -3.301) 3.563 ======================= Grid point 190 (82/230) ======================= q-point: ( 0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 11.589 0.000 22.017) 24.880 1.592 ( 17.204 0.000 20.584) 26.827 2.801 ( 21.126 0.000 45.450) 50.120 3.315 ( 0.046 0.000 -3.941) 3.941 3.482 ( 3.328 0.000 -12.891) 13.314 3.796 ( 1.398 0.000 -3.526) 3.793 4.065 ( 9.276 0.000 17.152) 19.500 4.151 ( -1.838 0.000 -6.691) 6.939 4.606 ( -14.307 0.000 8.682) 16.735 5.117 ( -3.931 0.000 -2.119) 4.466 5.610 ( 2.622 0.000 6.966) 7.443 5.801 ( 2.393 0.000 8.746) 9.067 6.043 ( 13.245 0.000 -2.656) 13.509 7.089 ( -4.518 0.000 10.672) 11.589 7.478 ( 4.105 0.000 -13.152) 13.778 7.916 ( -4.497 0.000 5.548) 7.142 8.093 ( -8.458 0.000 -3.527) 9.164 8.955 ( 0.009 0.000 27.348) 27.348 9.468 ( 10.596 0.000 -6.739) 12.558 10.356 ( -2.352 0.000 2.345) 3.321 10.865 ( 0.608 0.000 -17.453) 17.464 11.033 ( 29.213 0.000 -13.241) 32.074 11.931 ( -2.966 0.000 -10.162) 10.586 12.468 ( 12.753 0.000 -7.827) 14.963 14.138 ( 3.749 0.000 2.309) 4.403 14.828 ( -1.942 0.000 -6.435) 6.721 14.873 ( -8.649 0.000 3.427) 9.303 15.548 ( 0.015 0.000 -12.131) 12.131 16.622 ( -47.990 0.000 27.370) 55.246 18.671 ( 16.886 0.000 7.351) 18.417 19.456 ( -6.962 0.000 1.326) 7.087 19.618 ( -4.614 0.000 -0.551) 4.647 20.506 ( -25.731 0.000 3.120) 25.919 23.092 ( 46.039 0.000 -24.868) 52.326 23.696 ( 8.263 0.000 3.255) 8.881 23.943 ( -4.040 0.000 -4.598) 6.120 ======================= Grid point 191 (83/230) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 19.011 0.000 17.993) 26.175 1.975 ( 17.114 0.000 16.335) 23.659 3.278 ( -1.988 0.000 2.372) 3.095 3.383 ( 25.344 0.000 30.044) 39.306 3.485 ( -0.004 0.000 -13.791) 13.791 3.744 ( -3.735 0.000 -4.867) 6.135 4.128 ( 1.915 0.000 -7.922) 8.150 4.303 ( -8.875 0.000 15.249) 17.643 4.397 ( 8.461 0.000 10.486) 13.474 5.034 ( -3.742 0.000 -3.181) 4.911 5.654 ( 0.252 0.000 5.960) 5.965 5.848 ( 0.919 0.000 7.511) 7.567 6.245 ( 7.042 0.000 -8.051) 10.696 7.033 ( -3.455 0.000 12.586) 13.051 7.522 ( 2.659 0.000 -10.895) 11.215 7.857 ( -2.826 0.000 5.805) 6.457 7.925 ( -7.661 0.000 -3.145) 8.282 8.995 ( -2.667 0.000 31.003) 31.118 9.614 ( 5.673 0.000 -1.385) 5.839 10.381 ( 5.220 0.000 -3.741) 6.422 10.873 ( 4.209 0.000 -17.500) 17.999 11.495 ( 21.050 0.000 -14.865) 25.770 11.770 ( -10.521 0.000 -7.969) 13.199 12.758 ( 18.417 0.000 -7.867) 20.026 13.945 ( -23.739 0.000 24.976) 34.458 14.726 ( -6.981 0.000 -12.463) 14.285 14.740 ( -2.669 0.000 -0.332) 2.690 15.521 ( -0.300 0.000 -5.325) 5.333 16.339 ( 6.613 0.000 8.914) 11.099 19.019 ( 14.678 0.000 16.172) 21.840 19.260 ( -12.571 0.000 -0.477) 12.580 19.496 ( -7.403 0.000 -0.472) 7.418 19.978 ( -26.572 0.000 -3.331) 26.780 23.667 ( 20.710 0.000 -24.877) 32.369 23.828 ( -5.704 0.000 -4.538) 7.289 23.879 ( 9.117 0.000 2.577) 9.474 ======================= Grid point 192 (84/230) ======================= q-point: ( 0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 21.194 0.000 15.304) 26.142 2.336 ( 16.277 0.000 13.706) 21.279 3.153 ( -9.730 0.000 1.047) 9.786 3.414 ( -4.073 0.000 -12.735) 13.371 3.631 ( -7.735 0.000 -3.262) 8.395 3.936 ( 20.888 0.000 20.181) 29.044 4.048 ( -12.757 0.000 4.919) 13.672 4.209 ( 9.381 0.000 -9.972) 13.691 4.714 ( 14.581 0.000 15.096) 20.988 4.955 ( -3.333 0.000 -3.629) 4.927 5.651 ( -1.678 0.000 4.359) 4.671 5.849 ( -3.450 0.000 5.019) 6.090 6.304 ( 2.318 0.000 -5.451) 5.923 7.033 ( 0.428 0.000 15.031) 15.037 7.513 ( -1.552 0.000 -7.060) 7.228 7.786 ( -5.800 0.000 -1.783) 6.068 7.834 ( -1.260 0.000 8.320) 8.415 9.006 ( -3.719 0.000 33.235) 33.443 9.720 ( 6.183 0.000 -1.162) 6.292 10.514 ( 8.375 0.000 -5.169) 9.842 10.936 ( 6.095 0.000 -16.685) 17.763 11.473 ( -15.155 0.000 -11.496) 19.022 11.808 ( 11.289 0.000 -7.744) 13.690 13.133 ( 21.707 0.000 -9.980) 23.892 13.560 ( -19.081 0.000 29.353) 35.009 14.486 ( -13.942 0.000 -16.007) 21.228 14.720 ( -0.495 0.000 1.385) 1.471 15.514 ( 0.056 0.000 -0.654) 0.657 16.658 ( 21.691 0.000 -3.185) 21.924 18.942 ( -17.112 0.000 0.823) 17.132 19.208 ( -10.620 0.000 13.797) 17.411 19.340 ( -8.063 0.000 -0.347) 8.071 19.639 ( 2.826 0.000 -1.456) 3.179 23.648 ( -7.628 0.000 -9.578) 12.244 23.929 ( 9.601 0.000 -17.019) 19.540 24.044 ( 6.914 0.000 1.110) 7.002 ======================= Grid point 193 (85/230) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 20.726 0.000 13.754) 24.874 2.656 ( 10.455 0.000 12.755) 16.493 2.942 ( -8.976 0.000 1.685) 9.132 3.265 ( -9.962 0.000 -3.636) 10.605 3.410 ( -12.316 0.000 -6.175) 13.777 3.879 ( -5.175 0.000 -1.380) 5.356 4.151 ( 0.802 0.000 -3.458) 3.550 4.464 ( 12.819 0.000 -5.526) 13.960 4.925 ( 2.561 0.000 1.916) 3.198 5.000 ( 10.729 0.000 12.821) 16.718 5.615 ( -2.608 0.000 2.702) 3.755 5.714 ( -10.782 0.000 4.605) 11.724 6.373 ( 6.034 0.000 -0.262) 6.040 7.122 ( 4.744 0.000 16.312) 16.988 7.439 ( -4.128 0.000 -4.475) 6.088 7.698 ( -2.723 0.000 0.396) 2.752 7.844 ( -0.094 0.000 11.833) 11.834 9.013 ( -3.559 0.000 34.152) 34.337 9.852 ( 7.352 0.000 -3.889) 8.317 10.653 ( 6.332 0.000 -3.694) 7.331 11.021 ( 6.114 0.000 -14.656) 15.880 11.115 ( -18.367 0.000 -12.148) 22.021 11.910 ( 0.642 0.000 -4.182) 4.231 13.368 ( -7.244 0.000 22.606) 23.739 13.528 ( 20.030 0.000 -16.159) 25.736 14.139 ( -16.136 0.000 -12.523) 20.425 14.720 ( -0.119 0.000 4.715) 4.716 15.506 ( -1.087 0.000 0.254) 1.116 17.099 ( 23.593 0.000 -5.125) 24.143 18.609 ( -15.971 0.000 -2.697) 16.197 18.872 ( -17.661 0.000 1.044) 17.692 19.196 ( -6.173 0.000 -0.245) 6.178 19.919 ( 16.651 0.000 15.311) 22.620 23.470 ( -7.983 0.000 -12.070) 14.471 24.021 ( 4.043 0.000 -14.244) 14.806 24.140 ( 2.619 0.000 -0.571) 2.681 ======================= Grid point 194 (86/230) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -17.316 0.000 8.180) 19.151 2.869 ( 5.032 0.000 17.348) 18.063 2.990 ( -8.799 0.000 4.100) 9.707 3.081 ( 14.830 0.000 5.737) 15.901 3.219 ( -4.287 0.000 -14.826) 15.434 3.815 ( -0.989 0.000 -3.541) 3.676 4.001 ( -13.991 0.000 -10.845) 17.702 4.556 ( -0.643 0.000 -9.329) 9.351 5.067 ( 8.056 0.000 4.555) 9.255 5.169 ( 3.382 0.000 10.987) 11.496 5.518 ( -8.730 0.000 8.785) 12.385 5.574 ( -1.903 0.000 1.846) 2.652 6.531 ( 9.447 0.000 2.707) 9.827 7.275 ( 6.394 0.000 15.942) 17.177 7.356 ( -2.610 0.000 -5.012) 5.651 7.689 ( 1.533 0.000 2.231) 2.707 7.886 ( 1.229 0.000 14.523) 14.575 9.027 ( -3.173 0.000 33.470) 33.620 9.952 ( 3.041 0.000 -5.713) 6.472 10.705 ( -20.404 0.000 -13.091) 24.243 10.731 ( 2.570 0.000 -3.062) 3.998 11.097 ( 4.403 0.000 -10.988) 11.837 11.840 ( -5.976 0.000 -2.806) 6.602 13.343 ( -1.094 0.000 16.700) 16.736 13.555 ( -14.723 0.000 -24.985) 29.001 14.093 ( 16.051 0.000 -4.311) 16.620 14.746 ( 1.467 0.000 6.939) 7.093 15.470 ( -2.476 0.000 -0.801) 2.602 17.532 ( 21.116 0.000 -1.505) 21.169 18.300 ( -14.357 0.000 -9.988) 17.490 18.649 ( -4.229 0.000 2.540) 4.933 19.118 ( -1.315 0.000 -0.126) 1.321 20.280 ( 15.457 0.000 21.000) 26.075 23.272 ( -9.023 0.000 -18.702) 20.765 24.039 ( 1.223 0.000 -10.454) 10.525 24.138 ( -2.504 0.000 -2.048) 3.235 ======================= Grid point 195 (87/230) ======================= q-point: (-0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -20.465 0.000 7.299) 21.728 2.529 ( -24.307 0.000 16.067) 29.137 3.080 ( -0.060 0.000 -9.567) 9.567 3.262 ( 9.269 0.000 -1.231) 9.350 3.361 ( 9.278 0.000 7.139) 11.706 3.606 ( -20.798 0.000 -8.471) 22.457 3.837 ( 4.325 0.000 -0.071) 4.326 4.419 ( -10.089 0.000 -8.920) 13.467 5.195 ( -2.452 0.000 10.876) 11.149 5.200 ( 5.148 0.000 3.531) 6.243 5.450 ( -1.833 0.000 10.110) 10.274 5.541 ( -2.473 0.000 1.972) 3.163 6.734 ( 9.932 0.000 3.878) 10.662 7.328 ( 1.314 0.000 -7.913) 8.022 7.422 ( 4.465 0.000 14.475) 15.148 7.771 ( 6.323 0.000 2.347) 6.745 7.953 ( 1.685 0.000 13.918) 14.020 9.033 ( -4.331 0.000 29.546) 29.862 9.908 ( -6.755 0.000 -5.511) 8.718 10.269 ( -20.909 0.000 -9.876) 23.125 10.749 ( 0.285 0.000 -3.335) 3.347 11.133 ( 1.454 0.000 -7.652) 7.789 11.703 ( -6.154 0.000 -4.796) 7.802 13.151 ( -18.537 0.000 -19.747) 27.084 13.378 ( 0.612 0.000 15.030) 15.042 14.437 ( 18.036 0.000 -8.376) 19.886 14.806 ( 2.706 0.000 7.865) 8.318 15.417 ( -2.032 0.000 -3.127) 3.729 17.914 ( 17.863 0.000 5.875) 18.804 18.028 ( -9.727 0.000 -13.988) 17.037 18.708 ( 8.561 0.000 3.238) 9.153 19.159 ( 5.641 0.000 0.102) 5.642 20.610 ( 12.785 0.000 23.867) 27.076 23.005 ( -13.330 0.000 -29.253) 32.147 24.032 ( 0.277 0.000 -6.150) 6.156 24.037 ( -6.968 0.000 -2.962) 7.571 ======================= Grid point 196 (88/230) ======================= q-point: (-0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -21.611 0.000 7.321) 22.817 2.079 ( -25.427 0.000 17.256) 30.729 3.038 ( -28.475 0.000 7.865) 29.542 3.078 ( 2.716 0.000 -5.740) 6.350 3.364 ( 2.587 0.000 -7.783) 8.202 3.597 ( 4.558 0.000 4.483) 6.393 3.974 ( 7.521 0.000 4.975) 9.018 4.203 ( -7.278 0.000 -10.486) 12.764 5.162 ( -3.035 0.000 12.660) 13.019 5.294 ( 2.661 0.000 3.487) 4.386 5.436 ( -1.954 0.000 9.546) 9.744 5.475 ( -4.650 0.000 2.372) 5.220 6.916 ( 7.201 0.000 3.982) 8.229 7.359 ( 3.724 0.000 -11.601) 12.185 7.493 ( -1.277 0.000 8.844) 8.935 7.943 ( 10.610 0.000 0.891) 10.647 7.991 ( -1.177 0.000 10.240) 10.307 8.963 ( -9.540 0.000 19.172) 21.414 9.674 ( -14.977 0.000 -4.283) 15.577 9.894 ( -14.740 0.000 4.842) 15.515 10.724 ( -2.186 0.000 -3.894) 4.465 11.122 ( -0.681 0.000 -5.797) 5.837 11.610 ( -1.256 0.000 -7.350) 7.457 12.775 ( -15.156 0.000 -16.797) 22.625 13.436 ( 1.607 0.000 15.961) 16.042 14.714 ( 11.538 0.000 -6.960) 13.475 14.877 ( 2.449 0.000 7.777) 8.153 15.395 ( 1.548 0.000 -8.200) 8.345 17.880 ( -1.738 0.000 -13.766) 13.875 18.297 ( 20.500 0.000 15.326) 25.596 18.950 ( 14.198 0.000 2.251) 14.375 19.325 ( 10.569 0.000 1.057) 10.622 20.885 ( 9.291 0.000 24.573) 26.271 22.574 ( -23.667 0.000 -41.919) 48.138 23.866 ( -9.357 0.000 -3.022) 9.833 24.025 ( 0.152 0.000 -2.922) 2.926 ======================= Grid point 197 (89/230) ======================= q-point: (-0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -18.931 0.000 12.290) 22.570 1.634 ( -24.064 0.000 19.415) 30.919 2.542 ( -24.283 0.000 24.833) 34.732 3.168 ( 7.078 0.000 0.818) 7.125 3.373 ( 1.554 0.000 -11.241) 11.348 3.579 ( -6.251 0.000 3.529) 7.179 4.091 ( 2.357 0.000 4.875) 5.415 4.146 ( 3.178 0.000 -10.738) 11.199 5.135 ( -3.852 0.000 13.878) 14.403 5.253 ( -7.252 0.000 4.310) 8.436 5.398 ( -2.681 0.000 3.480) 4.393 5.470 ( 2.822 0.000 8.679) 9.126 6.985 ( -4.670 0.000 -1.222) 4.827 7.322 ( -16.256 0.000 -2.921) 16.516 7.403 ( 3.622 0.000 -14.276) 14.728 7.991 ( -0.056 0.000 13.564) 13.564 8.165 ( 11.131 0.000 -0.845) 11.163 8.788 ( -9.351 0.000 13.976) 16.816 9.359 ( -14.443 0.000 -4.908) 15.254 9.774 ( -0.642 0.000 21.152) 21.162 10.646 ( -4.832 0.000 -2.679) 5.524 11.084 ( -1.812 0.000 -6.036) 6.303 11.635 ( 5.702 0.000 -8.631) 10.344 12.489 ( -10.130 0.000 -14.723) 17.871 13.522 ( 3.478 0.000 17.055) 17.406 14.847 ( 3.575 0.000 -2.382) 4.296 14.931 ( 1.164 0.000 6.973) 7.070 15.443 ( 5.722 0.000 -15.171) 16.214 17.899 ( 6.462 0.000 -10.593) 12.408 18.849 ( 32.064 0.000 19.824) 37.697 19.228 ( 12.967 0.000 1.425) 13.045 19.558 ( 12.997 0.000 5.177) 13.990 21.073 ( 3.795 0.000 22.511) 22.828 21.818 ( -44.166 0.000 -50.802) 67.316 23.680 ( -8.378 0.000 -2.000) 8.613 24.023 ( 0.148 0.000 -1.653) 1.660 ======================= Grid point 198 (90/230) ======================= q-point: (-0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -7.386 0.000 24.294) 25.392 1.264 ( -17.692 0.000 22.711) 28.789 2.275 ( -9.362 0.000 40.277) 41.351 3.346 ( 8.863 0.000 3.834) 9.657 3.400 ( 5.357 0.000 -9.672) 11.057 3.446 ( -6.591 0.000 -0.167) 6.594 4.089 ( -3.063 0.000 3.642) 4.759 4.201 ( 3.384 0.000 -9.841) 10.406 5.036 ( -9.304 0.000 11.400) 14.715 5.116 ( -5.148 0.000 6.155) 8.024 5.422 ( 3.431 0.000 6.653) 7.485 5.545 ( 2.622 0.000 7.869) 8.294 6.488 ( -35.076 0.000 -4.950) 35.424 7.175 ( -2.319 0.000 8.218) 8.539 7.428 ( 2.530 0.000 -15.082) 15.293 8.029 ( -1.012 0.000 13.354) 13.392 8.314 ( 2.601 0.000 -1.075) 2.814 8.746 ( 1.349 0.000 17.070) 17.123 9.169 ( -1.431 0.000 -8.629) 8.747 9.962 ( 15.361 0.000 18.563) 24.094 10.537 ( -5.732 0.000 0.878) 5.799 11.019 ( -3.099 0.000 -9.115) 9.627 11.774 ( 9.793 0.000 -9.653) 13.750 12.322 ( -3.360 0.000 -12.511) 12.955 13.667 ( 8.131 0.000 14.769) 16.859 14.871 ( -0.038 0.000 -0.777) 0.778 14.956 ( -0.082 0.000 5.720) 5.720 15.520 ( 5.532 0.000 -18.081) 18.909 18.069 ( 12.451 0.000 -5.680) 13.686 19.352 ( -0.025 0.000 -7.977) 7.977 19.436 ( 7.494 0.000 1.422) 7.628 19.855 ( -6.420 0.000 -1.568) 6.609 20.867 ( -5.151 0.000 -10.699) 11.875 21.110 ( -5.583 0.000 17.244) 18.125 23.558 ( -3.273 0.000 0.150) 3.277 24.021 ( -0.097 0.000 -2.010) 2.013 ======================= Grid point 199 (91/230) ======================= q-point: ( 0.00 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 0.830 18.371 19.905) 27.099 1.409 ( 5.742 13.903 25.118) 29.277 2.460 ( 6.340 7.633 42.285) 43.434 3.370 ( -3.941 3.633 -2.451) 5.894 3.496 ( 7.066 1.292 -2.319) 7.548 3.602 ( 8.390 1.858 -0.556) 8.611 3.998 ( -2.459 -2.650 5.307) 6.421 4.178 ( -0.761 -0.893 -6.554) 6.658 4.906 ( -9.446 4.863 8.270) 13.463 5.086 ( 1.782 -4.775 2.403) 5.635 5.504 ( 1.921 -1.523 5.891) 6.381 5.701 ( 5.726 3.949 7.388) 10.147 6.025 ( -7.934 3.905 7.705) 11.729 7.212 ( -2.838 6.718 9.236) 11.768 7.548 ( 3.231 8.863 -15.439) 18.093 8.012 ( -3.447 2.558 7.188) 8.372 8.376 ( -8.939 9.866 -0.529) 13.324 8.807 ( 3.781 -3.877 18.257) 19.043 9.344 ( 11.399 6.700 -7.192) 15.051 10.231 ( 20.750 -10.269 7.240) 24.258 10.405 ( -7.790 -4.162 3.387) 9.459 11.243 ( 4.888 16.144 -17.227) 24.110 11.942 ( 5.949 5.189 -13.272) 15.442 12.345 ( 4.490 3.286 -8.238) 9.941 13.843 ( 11.589 -6.374 6.013) 14.529 14.785 ( -3.236 -5.073 -1.140) 6.125 15.013 ( 0.748 3.558 1.603) 3.973 15.489 ( 2.165 -6.890 -16.815) 18.300 17.432 ( -43.748 -38.400 19.568) 61.412 18.625 ( -20.702 8.597 -15.117) 27.037 19.484 ( -0.609 -2.547 1.552) 3.044 19.723 ( -0.345 3.938 -2.120) 4.486 20.936 ( -15.949 1.610 10.357) 19.085 21.712 ( 56.957 -15.389 2.634) 59.059 23.866 ( 6.512 20.056 -6.539) 22.077 24.047 ( -1.659 4.391 -2.914) 5.525 ======================= Grid point 200 (92/230) ======================= q-point: ( 0.10 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 6.266 14.808 19.279) 25.104 1.710 ( 15.600 10.631 19.626) 27.231 2.827 ( 19.906 2.495 38.007) 42.977 3.320 ( -0.899 3.074 -1.753) 3.651 3.586 ( 3.510 7.166 -9.756) 12.604 3.725 ( 3.041 -6.830 -2.133) 7.774 3.985 ( -0.959 -3.403 7.105) 7.936 4.197 ( 4.759 1.301 3.619) 6.119 4.711 ( -11.580 8.959 5.813) 15.753 5.078 ( -2.479 -3.984 -0.890) 4.776 5.542 ( 0.661 -4.014 6.733) 7.866 5.890 ( 7.600 3.983 4.313) 9.603 6.042 ( 7.364 2.137 1.094) 7.746 7.171 ( -3.597 8.072 10.870) 14.009 7.580 ( 3.398 8.743 -13.260) 16.243 7.954 ( -3.609 4.226 4.639) 7.239 8.193 ( -8.866 8.768 -1.233) 12.530 8.906 ( 1.255 -3.518 23.246) 23.544 9.538 ( 8.177 5.579 -4.088) 10.710 10.288 ( -2.624 -7.374 -1.832) 8.038 10.644 ( 18.143 -7.197 0.119) 19.518 11.361 ( 12.042 14.933 -19.936) 27.667 11.947 ( -3.091 3.282 -11.529) 12.379 12.493 ( 12.550 2.975 -7.389) 14.864 14.021 ( 1.823 -10.155 5.448) 11.668 14.689 ( -6.495 -7.732 -2.498) 10.403 14.991 ( -3.446 5.946 -2.724) 7.393 15.474 ( 0.080 -7.520 -11.597) 13.822 16.524 ( -36.117 -8.596 25.459) 45.017 18.612 ( 10.514 -5.109 1.257) 11.757 19.428 ( -5.745 -2.088 0.271) 6.119 19.672 ( -4.690 4.193 -0.950) 6.362 20.547 ( -24.370 3.792 4.264) 25.029 22.692 ( 41.053 -26.318 -8.592) 49.516 23.977 ( -3.514 6.060 -4.908) 8.553 24.004 ( 7.261 15.042 -6.450) 17.905 ======================= Grid point 201 (93/230) ======================= q-point: ( 0.20 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 14.562 6.554 16.356) 22.859 2.059 ( 15.503 7.338 16.928) 24.098 3.245 ( 3.628 -4.774 -1.100) 6.096 3.387 ( 14.997 5.706 20.418) 25.969 3.590 ( 0.870 6.028 -4.205) 7.401 3.730 ( -0.016 -2.575 -4.870) 5.508 4.004 ( 3.062 -5.972 -0.941) 6.777 4.270 ( -6.781 -2.715 13.546) 15.390 4.588 ( 3.637 13.147 4.435) 14.344 5.019 ( -2.793 -1.790 -2.417) 4.105 5.565 ( 0.005 -4.885 6.890) 8.447 5.967 ( 0.899 7.248 3.948) 8.302 6.207 ( 7.064 -2.698 -5.202) 9.178 7.131 ( -3.133 8.986 12.749) 15.909 7.609 ( 1.983 7.703 -10.265) 12.986 7.887 ( -4.561 4.609 3.287) 7.270 8.049 ( -5.184 10.477 1.065) 11.738 8.966 ( -1.208 -2.164 27.370) 27.482 9.621 ( 2.074 -0.271 -0.630) 2.185 10.329 ( 7.458 -4.753 -7.842) 11.820 10.912 ( 10.436 4.732 -4.397) 12.274 11.595 ( 13.698 5.534 -18.145) 23.399 11.788 ( -8.572 3.591 -8.738) 12.756 12.777 ( 17.611 2.265 -6.968) 19.075 13.852 ( -20.022 -7.884 22.773) 31.331 14.555 ( -5.698 -9.137 -6.989) 12.837 14.888 ( -5.087 6.740 -7.124) 11.048 15.452 ( -0.092 -6.844 -3.991) 7.923 16.326 ( 7.216 -1.210 8.391) 11.133 18.858 ( 11.062 -12.647 8.657) 18.901 19.251 ( -12.341 -0.754 -0.485) 12.373 19.567 ( -4.313 4.629 0.073) 6.328 20.051 ( -25.655 6.803 -0.043) 26.542 23.291 ( 24.196 -24.194 -10.285) 35.729 23.849 ( -7.551 3.062 -5.590) 9.881 24.129 ( 5.963 11.564 -6.464) 14.528 ======================= Grid point 202 (94/230) ======================= q-point: ( 0.30 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 18.964 0.434 13.063) 23.032 2.390 ( 14.307 4.484 14.959) 21.179 3.169 ( -7.304 1.771 -0.909) 7.571 3.419 ( -5.993 -0.105 -9.422) 11.167 3.643 ( -3.343 0.335 -5.425) 6.381 3.978 ( 12.883 2.703 19.773) 23.753 4.026 ( -2.677 -2.128 -1.746) 3.840 4.117 ( 2.987 -5.473 -1.272) 6.364 4.781 ( 8.780 4.286 5.762) 11.343 4.981 ( 1.066 2.809 1.181) 3.228 5.572 ( -0.928 -4.257 6.038) 7.446 5.949 ( -4.075 6.144 2.341) 7.735 6.291 ( 3.957 -0.536 -3.404) 5.247 7.119 ( -1.016 7.531 14.175) 16.083 7.592 ( -1.862 7.139 -7.008) 10.175 7.795 ( -5.102 4.385 3.582) 7.622 8.002 ( -0.737 13.166 5.658) 14.349 8.985 ( -3.579 -1.923 29.208) 29.490 9.687 ( 5.914 -3.298 -1.982) 7.056 10.488 ( 9.412 -2.229 -7.557) 12.275 11.061 ( 6.725 11.797 -8.020) 15.771 11.470 ( -14.428 -0.487 -10.966) 18.129 11.875 ( 10.512 5.702 -9.964) 15.566 13.124 ( 18.516 -0.564 -6.302) 19.567 13.526 ( -15.675 -2.832 24.977) 29.624 14.373 ( -11.737 -9.283 -12.705) 19.630 14.786 ( -3.492 4.551 -2.542) 6.274 15.453 ( 0.326 -5.781 0.240) 5.795 16.651 ( 22.248 -0.488 -3.173) 22.478 18.932 ( -13.364 -2.546 1.137) 13.652 19.006 ( -5.561 -10.072 3.791) 12.114 19.556 ( -11.431 12.740 8.620) 19.165 19.629 ( -1.128 -0.714 -2.912) 3.203 23.637 ( 13.066 -16.899 -14.987) 26.095 23.670 ( -7.534 -0.695 -2.968) 8.127 24.200 ( 2.662 6.801 -4.905) 8.797 ======================= Grid point 203 (95/230) ======================= q-point: ( 0.40 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 19.582 -3.214 10.207) 22.315 2.651 ( 6.013 0.062 12.507) 13.877 3.012 ( -5.816 6.118 2.621) 8.839 3.261 ( -8.201 -0.847 -4.829) 9.555 3.473 ( -12.195 5.080 -6.415) 14.686 3.818 ( -5.993 -5.500 -0.477) 8.148 4.175 ( 0.512 -0.243 -6.162) 6.188 4.348 ( 10.853 -7.292 -3.231) 13.469 4.887 ( 5.859 -1.459 3.436) 6.947 5.124 ( 8.408 8.213 10.669) 15.873 5.549 ( -3.080 -2.481 4.822) 6.236 5.819 ( -8.672 6.044 2.481) 10.858 6.392 ( 7.112 2.220 0.595) 7.474 7.164 ( 2.118 3.506 14.836) 15.391 7.509 ( -4.612 6.553 -5.018) 9.454 7.720 ( -3.589 4.318 5.634) 7.954 8.036 ( 2.141 16.032 9.295) 18.655 8.977 ( -3.876 -3.449 29.142) 29.600 9.829 ( 8.333 -1.882 -4.478) 9.645 10.635 ( 6.717 -1.506 -4.130) 8.028 11.056 ( -11.923 2.599 -12.680) 17.598 11.231 ( -0.146 11.380 -7.575) 13.672 11.971 ( 0.799 5.197 -5.966) 7.952 13.283 ( -4.699 -6.396 17.465) 19.184 13.555 ( 15.847 1.121 -9.820) 18.676 14.059 ( -15.204 -7.479 -11.579) 20.522 14.746 ( -0.771 2.362 3.134) 3.999 15.450 ( -1.021 -5.279 0.689) 5.421 17.112 ( 25.037 1.315 -5.665) 25.703 18.612 ( -15.902 0.257 -3.249) 16.233 18.863 ( -9.656 -0.989 0.098) 9.707 19.246 ( -12.422 4.752 0.513) 13.309 19.888 ( 15.599 -2.802 15.222) 21.975 23.455 ( -9.982 -1.492 -12.730) 16.246 23.842 ( 8.631 -13.572 -9.183) 18.521 24.212 ( -0.421 3.648 -3.345) 4.967 ======================= Grid point 204 (96/230) ======================= q-point: (-0.50 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -15.028 -0.066 8.580) 17.305 2.842 ( 13.334 -7.067 3.191) 15.425 2.933 ( -12.413 2.731 11.799) 17.342 3.177 ( 3.389 2.179 -2.696) 4.848 3.271 ( -0.725 6.572 -5.153) 8.383 3.742 ( -2.533 -6.064 -4.839) 8.161 4.043 ( -11.370 2.861 -8.626) 14.556 4.442 ( 2.093 -9.666 -9.286) 13.566 5.060 ( 7.687 0.655 5.165) 9.284 5.257 ( 1.755 6.029 11.058) 12.716 5.467 ( -5.648 -0.001 6.214) 8.397 5.695 ( -3.533 6.692 3.215) 8.222 6.566 ( 9.865 3.502 3.122) 10.924 7.261 ( 3.635 -1.075 14.072) 14.573 7.421 ( -2.329 5.881 -4.688) 7.873 7.686 ( -1.416 2.854 7.655) 8.291 8.117 ( 3.499 18.241 10.602) 21.386 8.975 ( -3.250 -4.741 27.910) 28.495 9.939 ( 2.967 -0.954 -6.148) 6.893 10.692 ( -19.030 -0.009 -11.535) 22.253 10.729 ( 3.514 -0.117 -1.828) 3.963 11.282 ( 4.101 15.894 -7.522) 18.056 11.897 ( -6.227 4.984 -4.192) 9.010 13.233 ( -4.648 -8.834 10.718) 14.646 13.567 ( -12.396 -0.175 -17.447) 21.403 14.036 ( 16.147 -5.492 -3.356) 17.383 14.767 ( 1.821 2.103 5.391) 6.066 15.415 ( -2.491 -5.121 -0.330) 5.704 17.578 ( 23.311 4.403 -2.859) 23.894 18.306 ( -14.200 0.523 -9.307) 16.986 18.704 ( -5.277 5.178 2.129) 7.694 19.106 ( -1.770 -1.049 0.205) 2.068 20.241 ( 15.592 -3.754 20.850) 26.305 23.206 ( -12.124 -6.263 -19.585) 23.870 23.948 ( 4.547 -7.949 -7.540) 11.862 24.171 ( -2.960 2.498 -2.843) 4.805 ======================= Grid point 205 (97/230) ======================= q-point: (-0.40 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -19.024 2.578 8.240) 20.892 2.523 ( -24.358 -1.154 9.751) 26.262 3.044 ( 1.265 -3.203 -7.396) 8.159 3.236 ( 8.837 -1.469 -2.373) 9.267 3.446 ( 7.363 5.869 7.338) 11.938 3.595 ( -12.674 -1.515 -7.510) 14.810 3.854 ( -1.223 2.449 -0.975) 2.906 4.392 ( -4.983 -3.259 -9.101) 10.876 5.116 ( -2.598 -1.601 7.021) 7.656 5.297 ( 1.461 1.964 8.583) 8.925 5.411 ( -2.253 2.429 7.232) 7.955 5.669 ( -1.135 7.712 3.063) 8.375 6.773 ( 9.960 3.923 4.339) 11.551 7.323 ( 0.501 -1.766 3.406) 3.869 7.434 ( 3.353 1.530 1.733) 4.073 7.704 ( 1.338 0.200 9.279) 9.377 8.214 ( 4.026 18.684 8.682) 20.992 8.971 ( -3.890 -5.270 23.868) 24.750 9.885 ( -7.265 -1.937 -5.540) 9.340 10.285 ( -19.471 2.125 -7.622) 21.017 10.773 ( 1.009 1.930 -1.198) 2.485 11.332 ( 2.595 17.900 -6.883) 19.353 11.748 ( -6.862 3.918 -5.202) 9.460 13.044 ( -14.640 -8.758 -10.614) 20.092 13.388 ( -2.762 -0.192 6.623) 7.178 14.373 ( 17.473 -6.201 -6.209) 19.552 14.832 ( 3.178 2.397 5.260) 6.597 15.363 ( -2.105 -4.999 -2.248) 5.872 17.971 ( 6.145 4.612 2.085) 7.961 18.048 ( 1.623 2.811 -10.931) 11.402 18.701 ( 4.676 -0.922 2.718) 5.486 19.174 ( 8.055 1.517 0.560) 8.215 20.580 ( 13.454 -2.967 23.833) 27.529 22.867 ( -17.386 -12.338 -28.665) 35.723 23.991 ( 0.905 -3.062 -3.564) 4.785 24.093 ( -3.382 3.943 -4.651) 6.972 ======================= Grid point 206 (98/230) ======================= q-point: (-0.30 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -19.724 5.491 7.729) 21.884 2.056 ( -25.200 -1.428 13.559) 28.652 3.051 ( 2.445 -2.523 -4.965) 6.083 3.151 ( -23.466 8.893 7.224) 26.114 3.363 ( 4.035 -0.053 -6.910) 8.002 3.643 ( 4.420 4.174 2.802) 6.694 3.933 ( 5.835 -3.054 4.288) 7.859 4.247 ( -5.509 3.455 -9.935) 11.874 5.087 ( -1.807 -5.548 11.164) 12.597 5.313 ( -2.801 -0.957 6.216) 6.885 5.397 ( -0.278 3.664 5.640) 6.732 5.638 ( -2.825 9.228 3.892) 10.405 6.947 ( 5.653 2.794 4.377) 7.676 7.322 ( -1.965 -5.413 0.917) 5.831 7.482 ( 1.186 -0.556 -5.238) 5.399 7.784 ( 4.440 -0.838 11.322) 12.190 8.316 ( 5.043 18.354 4.299) 19.514 8.911 ( -7.388 -4.125 15.278) 17.465 9.653 ( -14.266 -1.892 -3.966) 14.927 9.935 ( -14.675 3.977 4.978) 15.999 10.755 ( -2.509 2.340 -1.944) 3.943 11.336 ( -0.785 18.101 -8.385) 19.965 11.651 ( -0.605 4.701 -5.884) 7.556 12.727 ( -13.445 -4.226 -13.696) 19.652 13.406 ( 1.149 -2.904 13.108) 13.475 14.658 ( 12.564 -5.381 -4.735) 14.465 14.898 ( 1.948 1.580 4.364) 5.033 15.341 ( 1.359 -4.890 -6.741) 8.439 17.800 ( -7.039 -5.764 -7.383) 11.716 18.393 ( 20.008 7.032 8.113) 22.706 18.886 ( 12.752 -4.774 0.729) 13.635 19.391 ( 12.961 5.374 2.009) 14.174 20.867 ( 9.825 -1.653 24.504) 26.452 22.361 ( -27.349 -17.841 -37.643) 49.833 23.938 ( -4.722 4.275 -2.948) 7.018 24.061 ( 0.753 3.976 -4.413) 5.988 ======================= Grid point 207 (99/230) ======================= q-point: (-0.20 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -18.238 7.408 10.829) 22.467 1.659 ( -18.376 3.901 20.749) 27.990 2.720 ( -22.445 14.872 20.437) 33.803 3.138 ( 6.701 -2.953 1.112) 7.407 3.407 ( 3.447 3.358 -10.087) 11.176 3.634 ( -5.556 4.844 2.551) 7.801 4.025 ( 2.148 -5.164 3.040) 6.366 4.190 ( 1.350 3.430 -8.736) 9.481 5.088 ( -1.743 -4.439 11.667) 12.604 5.219 ( -7.609 -1.585 7.214) 10.604 5.415 ( 0.527 2.367 3.160) 3.983 5.603 ( -1.108 9.425 5.931) 11.191 6.893 ( -16.735 -9.646 -1.196) 19.353 7.244 ( -3.295 -1.219 5.989) 6.943 7.491 ( 3.233 4.815 -16.385) 17.381 7.922 ( 6.033 1.258 12.829) 14.233 8.432 ( 5.550 16.476 1.393) 17.441 8.772 ( -8.118 -1.538 10.277) 13.186 9.362 ( -12.839 0.378 -4.080) 13.477 9.783 ( -3.216 1.830 17.724) 18.107 10.671 ( -5.492 1.229 -0.447) 5.646 11.277 ( -2.054 13.466 -10.853) 17.417 11.698 ( 6.171 8.957 -7.491) 13.207 12.478 ( -8.556 -0.704 -12.497) 15.161 13.484 ( 3.583 -3.536 14.927) 15.753 14.823 ( 4.522 -2.472 -2.129) 5.576 14.931 ( 1.086 -0.350 5.139) 5.264 15.387 ( 5.361 -5.161 -13.917) 15.782 17.711 ( -0.960 -15.436 -1.933) 15.586 18.879 ( 26.929 -1.189 11.043) 29.129 19.146 ( 12.939 -2.489 -1.474) 13.258 19.667 ( 14.419 7.524 5.689) 17.230 21.052 ( 1.942 -2.021 20.314) 20.507 21.600 ( -40.171 -16.593 -39.224) 58.545 23.842 ( -3.402 11.122 -5.213) 12.746 24.068 ( 0.591 4.706 -2.470) 5.347 ======================= Grid point 208 (100/230) ======================= q-point: (-0.10 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -5.832 11.534 21.811) 25.352 1.440 ( -9.673 12.853 22.834) 27.931 2.427 ( -12.145 14.027 33.644) 38.421 3.308 ( 9.298 -3.739 5.514) 11.438 3.471 ( 5.715 6.796 -10.696) 13.901 3.500 ( -6.958 5.104 0.489) 8.643 4.036 ( -1.572 -5.551 3.278) 6.635 4.200 ( 0.807 1.082 -8.073) 8.185 5.034 ( -6.118 -0.805 8.387) 10.412 5.096 ( -5.443 -1.141 8.766) 10.381 5.446 ( 2.176 1.425 4.214) 4.952 5.629 ( 1.671 6.893 6.899) 9.895 6.382 ( -28.136 -7.078 1.749) 29.066 7.233 ( -1.314 5.315 8.200) 9.860 7.521 ( 3.556 7.361 -17.104) 18.957 8.027 ( 0.732 2.284 10.957) 11.216 8.492 ( -1.219 13.025 0.318) 13.085 8.713 ( -0.076 -2.823 14.356) 14.631 9.215 ( 0.957 4.069 -7.063) 8.207 9.889 ( 9.793 -3.593 17.348) 20.243 10.548 ( -7.244 -0.924 2.431) 7.697 11.230 ( 0.467 12.915 -13.295) 18.541 11.823 ( 8.235 8.209 -11.374) 16.266 12.345 ( -2.190 2.332 -10.260) 10.747 13.624 ( 7.651 -3.964 13.117) 15.694 14.835 ( -1.588 -2.801 -0.650) 3.285 14.978 ( 1.911 1.106 4.305) 4.838 15.458 ( 5.136 -5.896 -17.828) 19.468 17.723 ( -0.600 -29.109 6.244) 29.777 19.205 ( -4.327 -13.630 -9.364) 17.094 19.424 ( 11.941 2.345 -1.081) 12.216 19.857 ( -10.260 -0.123 -4.906) 11.373 20.816 ( 5.149 -2.318 -1.303) 5.795 21.155 ( -5.533 2.245 13.458) 14.723 23.803 ( 1.166 17.214 -6.088) 18.296 24.068 ( -0.154 4.903 -2.150) 5.356 ======================= Grid point 209 (101/230) ======================= q-point: ( 0.00 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 1.409 18.469 16.219) 24.620 1.761 ( 6.217 19.788 21.372) 29.782 2.693 ( 0.313 13.937 26.522) 29.963 3.380 ( 7.896 -7.406 5.610) 12.192 3.525 ( -4.043 8.634 2.193) 9.783 3.713 ( -0.623 3.155 0.387) 3.239 3.937 ( 3.953 0.155 0.937) 4.065 4.202 ( -1.001 3.162 -6.736) 7.508 4.967 ( -0.295 -3.549 4.166) 5.481 5.020 ( -5.321 3.079 6.170) 8.710 5.443 ( -0.039 -4.936 4.121) 6.430 5.750 ( 2.446 0.418 7.551) 7.949 6.158 ( -2.286 8.299 2.373) 8.929 7.405 ( -0.598 11.400 9.315) 14.734 7.753 ( 3.712 10.189 -14.136) 17.816 8.117 ( -2.018 7.797 7.836) 11.237 8.571 ( -9.936 6.702 3.437) 12.468 8.754 ( 4.771 0.401 13.354) 14.186 9.489 ( 11.773 6.726 -5.130) 14.496 10.119 ( 12.139 -0.716 11.500) 16.737 10.287 ( -6.899 -6.793 2.900) 10.107 11.303 ( 5.411 -7.981 -8.054) 12.564 12.221 ( 0.968 18.283 -14.759) 23.516 12.456 ( 5.458 8.066 -8.663) 13.034 13.694 ( 7.926 -7.160 4.450) 11.571 14.679 ( -5.522 -5.292 -2.692) 8.108 15.046 ( 4.465 -2.815 0.326) 5.289 15.298 ( -0.400 -9.441 -16.637) 19.133 16.749 ( -26.335 -26.741 23.013) 44.025 18.680 ( -15.579 -1.473 -23.533) 28.261 19.436 ( -2.358 -1.868 1.280) 3.270 19.804 ( 1.164 3.509 -5.448) 6.584 20.979 ( -13.154 2.430 11.044) 17.347 21.441 ( 37.577 -10.696 7.753) 39.831 24.115 ( 2.016 6.036 -3.201) 7.124 24.230 ( 1.276 10.489 -6.634) 12.476 ======================= Grid point 210 (102/230) ======================= q-point: ( 0.10 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 1.091 18.912 15.280) 24.338 1.980 ( 10.384 14.779 18.181) 25.628 2.898 ( 12.713 4.274 20.279) 24.313 3.480 ( 1.968 8.322 5.778) 10.320 3.536 ( 3.845 -6.167 -0.226) 7.271 3.703 ( -0.089 1.464 0.707) 1.629 3.940 ( -3.362 -0.754 2.928) 4.522 4.242 ( 4.705 4.402 -0.494) 6.462 4.896 ( -7.358 5.452 1.973) 9.368 4.975 ( -0.369 -2.974 2.815) 4.111 5.464 ( 0.925 -4.238 4.698) 6.394 5.887 ( 8.649 -2.686 3.587) 9.741 6.168 ( 1.846 8.035 0.825) 8.285 7.398 ( -2.440 13.121 10.560) 17.019 7.776 ( 1.983 9.034 -10.799) 14.219 8.115 ( -0.582 11.847 5.256) 12.974 8.396 ( -7.697 9.542 2.421) 12.497 8.861 ( 2.346 0.123 17.745) 17.899 9.642 ( 1.363 3.383 -1.552) 3.964 10.100 ( 0.899 -8.960 -6.765) 11.263 10.596 ( 22.613 0.795 12.483) 25.842 11.433 ( 9.265 -6.780 -9.060) 14.625 12.138 ( -5.832 13.539 -12.944) 19.618 12.613 ( 12.184 8.696 -9.141) 17.539 13.800 ( -0.035 -9.774 5.741) 11.336 14.536 ( -8.098 -7.289 -5.012) 11.992 15.096 ( -0.555 3.938 -3.893) 5.565 15.238 ( -0.719 -14.868 -10.432) 18.177 16.323 ( -16.867 -9.929 20.280) 28.185 18.496 ( 0.978 -5.524 -10.261) 11.695 19.385 ( -4.478 -2.001 -0.272) 4.912 19.758 ( -4.595 3.884 -3.535) 6.978 20.645 ( -21.220 5.387 6.422) 22.816 22.198 ( 35.533 -21.057 1.026) 41.316 24.078 ( -4.852 5.357 -2.800) 7.751 24.263 ( 3.034 8.193 -6.964) 11.172 ======================= Grid point 211 (103/230) ======================= q-point: ( 0.20 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 6.501 13.643 13.517) 20.276 2.239 ( 11.699 9.674 16.096) 22.126 3.146 ( 7.044 -4.068 2.839) 8.616 3.572 ( 1.001 -3.177 -1.651) 3.718 3.590 ( 2.538 5.766 1.620) 6.505 3.678 ( 1.414 -1.405 -0.198) 2.003 3.961 ( 5.883 1.550 12.768) 14.143 4.254 ( -5.976 2.805 0.899) 6.662 4.805 ( -1.255 3.603 -1.160) 3.988 4.980 ( 1.399 1.222 3.071) 3.589 5.496 ( 1.052 -2.101 5.736) 6.199 6.024 ( 3.530 -2.618 0.527) 4.426 6.225 ( 4.162 5.655 -0.107) 7.023 7.357 ( -4.388 11.899 11.631) 17.209 7.781 ( 0.557 7.935 -7.653) 11.038 8.086 ( -3.692 14.864 4.221) 15.887 8.310 ( -1.839 13.706 4.180) 14.446 8.932 ( -0.125 -0.592 20.960) 20.968 9.566 ( -3.956 -5.283 -1.285) 6.724 10.239 ( 11.973 -3.059 -9.828) 15.789 11.043 ( 18.823 6.689 11.063) 22.835 11.574 ( 4.897 -6.394 -11.661) 14.172 11.978 ( -4.669 12.931 -12.530) 18.602 12.863 ( 14.661 5.787 -6.226) 16.947 13.686 ( -13.011 -7.020 15.211) 21.212 14.359 ( -8.328 -10.061 -8.601) 15.638 14.994 ( -6.115 2.768 -9.907) 11.967 15.254 ( 2.315 -11.082 0.347) 11.326 16.294 ( 9.654 -1.832 6.937) 12.028 18.591 ( 8.056 -12.246 -1.922) 14.784 19.232 ( -11.312 -1.079 -0.916) 11.400 19.644 ( -4.964 2.810 -2.382) 6.182 20.226 ( -22.246 9.459 4.872) 24.659 22.795 ( 26.002 -23.289 -3.450) 35.077 23.930 ( -9.157 4.492 -4.790) 11.268 24.293 ( 1.414 4.808 -5.165) 7.197 ======================= Grid point 212 (104/230) ======================= q-point: ( 0.30 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 12.622 5.976 10.662) 17.570 2.500 ( 11.068 6.250 12.919) 18.123 3.191 ( -1.234 -1.275 -1.474) 2.307 3.430 ( -10.146 1.999 -4.218) 11.168 3.601 ( 0.915 -4.230 -6.463) 7.779 3.821 ( 3.440 -13.542 4.595) 14.708 4.030 ( -9.425 2.417 -7.397) 12.223 4.214 ( 11.490 10.941 11.518) 19.606 4.782 ( -0.599 -4.526 -3.005) 5.465 5.094 ( 8.203 7.071 8.783) 13.944 5.531 ( 0.989 0.420 6.111) 6.204 6.020 ( -3.694 0.132 0.935) 3.813 6.329 ( 6.401 5.044 0.163) 8.151 7.290 ( -4.856 8.222 12.002) 15.337 7.751 ( -2.167 7.631 -5.662) 9.746 8.001 ( -5.928 14.748 5.776) 16.912 8.334 ( 2.610 17.970 7.349) 19.590 8.930 ( -4.651 -3.031 19.817) 20.580 9.598 ( 7.792 -4.559 -1.867) 9.219 10.444 ( 10.446 -1.815 -7.867) 13.202 11.358 ( 11.348 14.242 7.610) 19.737 11.447 ( -13.096 -1.240 -13.041) 18.523 12.004 ( 7.444 6.867 -10.780) 14.791 13.127 ( 11.372 0.870 0.035) 11.405 13.467 ( -9.573 -2.455 15.060) 18.013 14.145 ( -11.704 -12.522 -12.122) 20.993 14.864 ( -4.606 2.565 -4.898) 7.196 15.297 ( 1.418 -8.523 1.724) 8.811 16.647 ( 23.998 0.299 -3.203) 24.213 18.732 ( 5.295 -11.556 -1.192) 12.767 18.955 ( -15.606 0.017 -0.559) 15.616 19.601 ( 0.492 -1.398 -0.742) 1.657 19.825 ( -18.813 12.717 8.016) 24.081 23.214 ( 18.508 -21.529 -6.336) 29.089 23.705 ( -12.197 2.028 -6.895) 14.157 24.294 ( -0.218 2.723 -3.841) 4.713 ======================= Grid point 213 (105/230) ======================= q-point: ( 0.40 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 15.076 -0.882 7.269) 16.760 2.686 ( 3.320 3.809 7.842) 9.329 3.127 ( -4.833 1.469 0.656) 5.094 3.238 ( -7.143 0.977 0.276) 7.214 3.563 ( -6.876 2.740 -10.114) 12.533 3.664 ( -8.553 -9.422 1.362) 12.798 4.030 ( 5.960 -9.390 -11.257) 15.825 4.333 ( -2.032 2.082 -6.121) 6.777 4.872 ( 10.038 0.330 8.032) 12.860 5.279 ( 6.952 5.978 11.073) 14.376 5.555 ( -0.105 3.353 5.265) 6.243 5.907 ( -7.393 2.242 2.625) 8.159 6.481 ( 8.928 6.687 1.873) 11.311 7.242 ( -2.732 3.847 12.393) 13.261 7.671 ( -4.462 8.296 -5.195) 10.757 7.896 ( -6.041 11.847 8.005) 15.522 8.425 ( 4.060 19.324 9.291) 21.822 8.887 ( -3.544 -3.538 18.257) 18.931 9.797 ( 10.891 -0.903 -3.082) 11.355 10.602 ( 7.217 -1.621 -3.434) 8.155 11.104 ( -17.469 1.683 -13.110) 21.906 11.546 ( 7.027 17.964 3.829) 19.666 12.081 ( 1.180 4.796 -8.474) 9.808 13.169 ( -6.701 -3.666 15.338) 17.135 13.543 ( 13.163 -2.809 -4.683) 14.251 13.853 ( -14.119 -11.880 -11.506) 21.745 14.806 ( -0.768 3.222 0.127) 3.315 15.308 ( -0.727 -7.928 1.277) 8.063 17.158 ( 28.535 3.294 -6.653) 29.484 18.615 ( -14.929 -0.157 -5.265) 15.831 18.827 ( 2.508 -2.345 -0.239) 3.442 19.374 ( -19.258 6.986 0.192) 20.487 19.821 ( 10.790 -3.002 15.826) 19.388 23.379 ( -10.456 -8.987 -20.203) 24.459 23.548 ( 9.055 -11.057 2.147) 14.451 24.269 ( -1.483 2.012 -3.370) 4.196 ======================= Grid point 214 (106/230) ======================= q-point: (-0.50 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -9.062 3.757 5.477) 11.235 2.699 ( 4.198 -5.691 2.341) 7.449 2.971 ( -9.265 -0.093 2.982) 9.734 3.183 ( -1.911 -0.486 -6.017) 6.332 3.409 ( 0.714 3.931 3.114) 5.066 3.611 ( -0.366 -4.464 -7.734) 8.938 4.059 ( -3.084 -3.721 -5.699) 7.473 4.242 ( -0.461 -7.175 -13.075) 14.921 5.103 ( 9.080 3.431 8.245) 12.736 5.358 ( -3.002 3.651 11.422) 12.361 5.548 ( -1.319 7.075 5.002) 8.765 5.799 ( -3.000 3.307 3.984) 5.984 6.680 ( 10.552 7.698 3.638) 13.559 7.238 ( -1.131 -0.919 12.368) 12.454 7.573 ( -3.646 7.979 -5.961) 10.606 7.816 ( -4.077 8.678 9.922) 13.798 8.519 ( 3.341 17.028 8.514) 19.329 8.882 ( -1.685 -0.798 18.238) 18.333 9.929 ( 2.206 0.125 -5.684) 6.098 10.712 ( -5.934 0.992 -2.728) 6.606 10.740 ( -6.047 1.811 -7.299) 9.650 11.672 ( 5.795 20.968 0.953) 21.775 12.004 ( -6.591 4.346 -7.147) 10.650 13.050 ( -8.599 -7.679 8.535) 14.344 13.524 ( -11.121 -3.998 -11.929) 16.792 13.869 ( 15.660 -10.712 -1.226) 19.013 14.829 ( 2.539 3.657 1.614) 4.735 15.279 ( -2.249 -7.472 0.587) 7.825 17.703 ( 28.159 7.455 -5.721) 29.686 18.321 ( -13.348 0.935 -8.339) 15.766 18.844 ( -6.387 7.955 1.042) 10.255 19.080 ( -4.001 -1.326 1.431) 4.452 20.132 ( 15.367 -6.721 20.628) 26.587 23.026 ( -18.442 -11.021 -21.907) 30.684 23.757 ( 9.914 -9.474 -1.042) 13.752 24.223 ( -2.261 2.294 -3.967) 5.110 ======================= Grid point 215 (107/230) ======================= q-point: (-0.40 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -15.819 7.991 7.089) 19.088 2.477 ( -21.409 -2.870 1.842) 21.679 2.962 ( 1.677 -4.430 -5.460) 7.228 3.202 ( 7.304 -2.058 -4.492) 8.818 3.464 ( -3.431 -5.293 3.612) 7.268 3.626 ( 5.893 5.714 -2.113) 8.476 3.944 ( -4.713 5.363 -2.354) 7.518 4.261 ( 3.402 -9.494 -10.470) 14.537 5.146 ( -8.207 4.205 7.062) 11.615 5.320 ( 0.428 1.993 10.403) 10.601 5.532 ( -2.086 7.143 5.572) 9.297 5.798 ( 0.541 4.317 3.376) 5.507 6.893 ( 9.431 7.457 4.923) 12.992 7.226 ( -3.688 -6.149 11.085) 13.202 7.518 ( -0.143 5.748 -7.767) 9.663 7.794 ( -0.285 6.849 11.349) 13.259 8.598 ( 3.272 14.616 5.516) 15.962 8.888 ( -2.450 1.220 16.835) 17.056 9.843 ( -8.815 -1.828 -5.329) 10.462 10.365 ( -16.978 5.424 -4.247) 18.322 10.819 ( 2.566 2.464 0.002) 3.557 11.770 ( -0.103 19.351 -8.265) 21.042 11.839 ( -3.241 7.552 -0.351) 8.226 12.860 ( -11.054 -7.654 -2.374) 13.653 13.350 ( -4.749 -3.403 -0.425) 5.858 14.184 ( 16.469 -12.219 -2.615) 20.673 14.891 ( 2.874 2.779 0.530) 4.033 15.237 ( -1.655 -6.394 -0.319) 6.612 18.036 ( -14.664 2.307 -8.279) 16.997 18.200 ( 22.110 11.150 -2.770) 24.917 18.661 ( -4.303 -3.128 1.733) 5.595 19.223 ( 12.720 3.248 1.804) 13.252 20.489 ( 15.332 -5.862 23.822) 28.930 22.559 ( -23.748 -16.440 -27.222) 39.690 23.918 ( 6.443 -3.702 -0.421) 7.443 24.170 ( -1.511 3.135 -5.595) 6.589 ======================= Grid point 216 (108/230) ======================= q-point: (-0.30 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -17.893 9.596 3.276) 20.566 2.067 ( -18.584 4.006 11.734) 22.340 2.975 ( 2.153 -4.771 -3.914) 6.536 3.297 ( -12.560 3.246 4.472) 13.722 3.359 ( 8.447 -0.463 -4.863) 9.758 3.746 ( 3.522 5.164 0.476) 6.269 3.903 ( 0.334 1.324 2.726) 3.049 4.292 ( 1.590 -0.574 -9.298) 9.450 4.998 ( -6.111 -1.599 9.137) 11.109 5.322 ( -3.678 1.988 8.337) 9.327 5.494 ( -2.681 4.693 4.562) 7.073 5.802 ( -1.003 5.983 2.834) 6.695 6.974 ( -7.525 -3.767 4.585) 9.583 7.192 ( 2.002 -0.898 10.019) 10.256 7.530 ( 3.530 4.437 -11.094) 12.458 7.870 ( 5.148 6.650 11.887) 14.561 8.680 ( 4.188 13.775 2.272) 14.576 8.843 ( -6.117 0.646 12.661) 14.076 9.610 ( -12.844 -2.036 -3.040) 13.355 10.058 ( -13.884 7.978 5.352) 16.884 10.806 ( -3.704 2.454 -1.589) 4.719 11.575 ( -10.070 1.687 -11.673) 15.508 11.952 ( 7.841 24.839 -0.835) 26.061 12.645 ( -8.962 -2.348 -7.717) 12.057 13.319 ( 0.385 -5.413 6.580) 8.529 14.487 ( 14.828 -11.694 -2.845) 19.098 14.917 ( -0.469 -0.480 -0.470) 0.820 15.231 ( 1.608 -4.464 -3.250) 5.751 17.706 ( -17.146 -2.709 -1.933) 17.466 18.477 ( 10.036 -1.377 -0.048) 10.130 18.841 ( 19.046 2.753 -1.775) 19.325 19.509 ( 15.068 5.569 3.234) 16.387 20.819 ( 11.949 -3.011 24.567) 27.484 21.962 ( -30.378 -19.156 -31.186) 47.564 23.994 ( 1.630 1.903 -1.337) 2.840 24.160 ( 2.092 4.167 -6.029) 7.622 ======================= Grid point 217 (109/230) ======================= q-point: (-0.20 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -12.497 12.990 10.049) 20.637 1.827 ( -10.888 12.165 17.268) 23.764 3.023 ( -11.034 7.648 10.564) 17.083 3.057 ( 0.779 -0.381 4.197) 4.285 3.509 ( 8.631 6.018 -7.088) 12.686 3.736 ( -3.480 3.626 -1.716) 5.311 3.922 ( -1.272 -2.957 7.331) 8.006 4.280 ( 0.095 5.117 -9.680) 10.949 4.976 ( 0.822 -5.637 7.800) 9.659 5.216 ( -8.509 1.101 8.928) 12.382 5.458 ( -1.805 1.083 2.927) 3.605 5.778 ( -2.012 6.194 3.614) 7.448 6.674 ( -20.424 -9.032 3.517) 22.607 7.299 ( 4.124 5.598 9.474) 11.752 7.599 ( 6.180 5.932 -13.783) 16.228 8.029 ( 7.342 7.093 10.959) 14.977 8.711 ( -8.808 0.691 10.424) 13.664 8.764 ( 3.026 10.551 0.537) 10.990 9.374 ( -9.126 0.757 -2.704) 9.548 9.879 ( -6.123 7.875 14.040) 17.222 10.682 ( -8.194 -0.001 -0.866) 8.240 11.377 ( -6.789 -3.138 -11.216) 13.481 12.094 ( 7.174 25.824 -7.088) 27.723 12.491 ( -4.605 2.840 -8.446) 10.030 13.385 ( 4.244 -5.925 9.226) 11.758 14.730 ( 9.605 -7.719 -1.911) 12.470 14.885 ( -1.627 -4.719 -0.419) 5.009 15.272 ( 3.585 -4.338 -9.035) 10.644 17.389 ( -15.472 -14.047 6.389) 21.852 18.724 ( 14.928 -11.134 -3.062) 18.873 19.220 ( 18.800 7.084 -2.746) 20.277 19.797 ( 12.280 4.429 3.872) 13.616 21.000 ( -4.988 -2.679 11.563) 12.875 21.293 ( -23.234 -11.792 -17.204) 31.222 24.010 ( 1.639 5.638 -4.215) 7.228 24.200 ( 2.582 6.374 -4.529) 8.234 ======================= Grid point 218 (110/230) ======================= q-point: (-0.10 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 0.655 20.600 18.583) 27.751 1.721 ( -4.244 14.470 19.628) 24.751 2.774 ( -12.850 17.271 20.698) 29.864 3.200 ( 8.258 -6.501 6.563) 12.391 3.632 ( -6.172 5.968 -0.311) 8.591 3.659 ( 7.378 11.107 -6.048) 14.642 3.893 ( -1.698 -6.421 5.647) 8.718 4.252 ( -1.087 3.836 -8.922) 9.773 4.994 ( -2.130 -2.909 4.702) 5.925 5.086 ( -5.279 0.097 9.849) 11.175 5.442 ( -0.560 -2.575 2.867) 3.895 5.747 ( -2.233 2.923 5.906) 6.958 6.309 ( -14.957 1.020 3.962) 15.507 7.375 ( 1.535 8.278 9.022) 12.340 7.690 ( 6.082 8.822 -14.766) 18.244 8.138 ( -0.029 7.740 8.838) 11.748 8.633 ( 0.161 -3.927 11.426) 12.083 8.749 ( -5.706 10.096 3.439) 12.096 9.314 ( 4.961 5.107 -5.369) 8.917 9.895 ( 4.251 4.761 16.634) 17.816 10.494 ( -10.859 -3.864 0.630) 11.544 11.276 ( -0.799 -6.830 -9.422) 11.665 12.188 ( 5.075 23.202 -14.141) 27.641 12.429 ( -0.087 6.190 -7.102) 9.421 13.521 ( 7.416 -5.596 8.064) 12.302 14.771 ( -3.275 -3.358 -1.165) 4.833 14.942 ( 5.988 -6.996 -0.163) 9.210 15.310 ( 2.764 -6.472 -14.623) 16.228 17.116 ( -16.461 -26.240 15.674) 34.715 18.928 ( 3.230 -12.583 -15.364) 20.120 19.490 ( 5.107 3.636 -4.400) 7.659 19.844 ( -8.092 -1.152 -8.448) 11.754 20.800 ( 10.285 0.468 5.017) 11.453 21.182 ( -3.926 0.587 14.113) 14.661 24.054 ( 3.921 7.418 -5.041) 9.788 24.226 ( 1.102 8.688 -4.522) 9.856 ======================= Grid point 219 (111/230) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 2.733 13.981 14.482) 20.314 2.195 ( 3.784 21.311 17.470) 27.815 2.939 ( -2.217 7.212 11.784) 13.993 3.218 ( 5.559 -6.749 7.535) 11.543 3.520 ( -3.115 -9.875 7.430) 12.745 3.855 ( -2.518 12.448 10.639) 16.568 4.052 ( 2.557 8.424 -6.082) 10.701 4.306 ( 1.115 7.027 -7.326) 10.212 4.891 ( -3.191 -2.964 1.856) 4.734 5.082 ( -0.703 1.847 5.840) 6.165 5.304 ( 0.347 -8.139 2.563) 8.540 5.713 ( 0.840 -3.854 8.515) 9.384 6.322 ( -1.016 6.894 -1.412) 7.110 7.655 ( 1.800 12.646 11.559) 17.228 7.932 ( 2.013 6.896 -12.807) 14.685 8.285 ( -0.279 4.972 11.462) 12.497 8.628 ( -0.027 3.480 5.991) 6.928 8.849 ( 1.513 6.196 9.087) 11.102 9.597 ( 11.908 3.519 -4.180) 13.102 10.085 ( -15.722 -7.148 -2.333) 17.427 10.246 ( 12.162 7.071 16.260) 21.501 11.056 ( 4.417 -14.302 -0.055) 14.969 12.551 ( -4.664 13.859 -3.819) 15.113 12.672 ( 6.493 11.309 -12.807) 18.277 13.579 ( 6.866 -3.560 -0.683) 7.764 14.542 ( -6.180 -10.151 -7.333) 13.965 14.821 ( 5.606 -13.662 -2.540) 14.984 15.228 ( -1.008 0.464 -11.166) 11.221 16.341 ( -17.685 -13.711 18.230) 28.863 18.621 ( -9.202 -3.284 -29.388) 30.970 19.410 ( -4.509 -0.734 0.973) 4.671 19.861 ( 2.719 2.050 -8.422) 9.084 21.030 ( -10.134 2.433 11.568) 15.570 21.268 ( 24.301 -6.412 10.343) 27.178 24.226 ( 1.284 4.903 -1.989) 5.445 24.367 ( 0.356 3.302 -4.049) 5.237 ======================= Grid point 220 (112/230) ======================= q-point: ( 0.10 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 2.541 16.060 11.088) 19.681 2.296 ( 3.305 15.999 17.847) 24.195 2.987 ( 4.125 3.764 7.956) 9.720 3.309 ( 2.846 -9.860 0.871) 10.299 3.514 ( -0.397 -10.603 11.291) 15.494 3.909 ( 5.661 15.468 13.956) 21.589 3.971 ( -7.110 6.388 -6.764) 11.709 4.371 ( 4.246 7.120 -4.244) 9.313 4.823 ( -4.228 -5.097 -1.163) 6.724 5.047 ( -3.140 1.373 5.163) 6.197 5.368 ( 4.936 -3.968 2.652) 6.866 5.805 ( 6.110 -5.028 5.629) 9.711 6.325 ( 1.325 6.767 -1.034) 6.973 7.671 ( -3.373 12.927 11.610) 17.699 7.926 ( 0.963 5.774 -8.597) 10.401 8.349 ( 3.225 4.648 8.428) 10.151 8.575 ( -3.651 11.960 5.025) 13.476 8.945 ( 2.843 7.652 11.452) 14.064 9.642 ( -11.567 -3.408 -1.142) 12.113 9.965 ( 10.013 -4.253 -7.251) 13.074 10.643 ( 23.192 3.574 16.851) 28.889 11.207 ( 10.080 -13.015 -0.118) 16.463 12.424 ( -6.771 14.236 -6.729) 17.141 12.800 ( 8.985 7.861 -9.325) 15.149 13.657 ( 0.620 -3.872 0.409) 3.943 14.370 ( -9.370 -9.979 -9.762) 16.813 14.900 ( 2.896 -14.629 -2.526) 15.125 15.170 ( -1.908 2.227 -9.355) 9.804 16.147 ( -4.759 -6.899 14.854) 17.055 18.401 ( -4.384 -3.592 -19.614) 20.416 19.350 ( -4.064 -1.355 -0.193) 4.289 19.824 ( -4.405 2.532 -6.654) 8.372 20.753 ( -17.797 4.827 7.923) 20.070 21.840 ( 28.743 -13.818 5.988) 32.449 24.187 ( -5.152 5.123 -1.874) 7.503 24.358 ( -0.018 1.758 -4.040) 4.406 ======================= Grid point 221 (113/230) ======================= q-point: ( 0.20 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 1.177 16.313 10.800) 19.600 2.447 ( 8.000 10.522 13.377) 18.806 3.088 ( 3.848 -1.620 2.720) 4.983 3.358 ( 2.763 -11.187 -3.271) 11.979 3.518 ( -2.083 -12.349 8.794) 15.303 3.798 ( -8.371 7.300 -5.027) 12.192 4.117 ( 10.013 12.655 10.500) 19.253 4.378 ( -2.180 8.404 -3.455) 9.344 4.720 ( -5.151 -7.120 -4.456) 9.853 5.049 ( 2.770 -0.009 8.010) 8.476 5.483 ( 5.632 1.494 3.227) 6.661 5.932 ( 4.658 -5.428 3.225) 7.846 6.369 ( 3.547 7.148 0.412) 7.990 7.582 ( -7.984 9.668 11.404) 16.949 7.927 ( 0.356 6.264 -5.390) 8.271 8.388 ( -2.581 8.160 4.451) 9.646 8.565 ( 1.567 13.298 8.438) 15.827 8.991 ( -1.156 7.623 11.267) 13.653 9.434 ( -4.590 -6.783 -1.388) 8.307 10.196 ( 12.770 -1.890 -6.909) 14.641 11.152 ( 22.277 3.656 17.389) 28.496 11.394 ( 8.201 -9.782 -5.131) 13.757 12.277 ( -5.613 16.071 -7.659) 18.667 12.965 ( 9.216 2.587 -4.816) 10.716 13.597 ( -7.085 -1.375 5.118) 8.848 14.139 ( -11.331 -11.575 -11.703) 19.984 14.910 ( -0.946 -9.432 -4.457) 10.475 15.140 ( 0.644 0.072 -3.491) 3.551 16.257 ( 13.486 -1.582 5.342) 14.592 18.381 ( 5.259 -7.947 -10.301) 14.033 19.211 ( -10.167 -0.890 -1.547) 10.323 19.687 ( -7.094 1.547 -4.408) 8.494 20.412 ( -18.511 8.215 7.248) 21.510 22.371 ( 24.457 -17.339 1.366) 30.011 24.019 ( -11.127 3.961 -4.346) 12.585 24.346 ( -0.491 0.818 -2.788) 2.947 ======================= Grid point 222 (114/230) ======================= q-point: ( 0.30 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 5.044 11.140 9.242) 15.328 2.645 ( 9.133 7.733 8.102) 14.452 3.124 ( -0.771 -3.869 -0.873) 4.040 3.358 ( -4.545 -9.946 2.957) 11.328 3.507 ( 1.540 -13.711 -0.950) 13.830 3.645 ( -5.872 6.459 -3.453) 9.387 4.105 ( -8.609 4.204 -15.321) 18.070 4.427 ( 1.156 5.661 -1.072) 5.876 4.674 ( 5.489 -1.594 7.146) 9.151 5.178 ( 6.985 -0.217 11.808) 13.721 5.593 ( 4.638 5.349 3.722) 7.998 5.976 ( -0.995 -3.528 3.114) 4.810 6.476 ( 7.264 8.146 1.633) 11.036 7.441 ( -8.446 6.562 11.221) 15.502 7.903 ( -2.156 6.807 -2.344) 7.515 8.267 ( -9.482 6.195 3.274) 11.790 8.630 ( 1.366 9.826 7.973) 12.727 8.974 ( -0.521 11.007 8.063) 13.654 9.520 ( 11.340 -3.312 2.726) 12.124 10.405 ( 9.940 -2.322 -5.040) 11.384 11.351 ( -5.194 -5.447 -7.991) 10.978 11.621 ( 15.164 7.911 12.021) 20.906 12.209 ( 0.399 14.458 -6.787) 15.976 13.123 ( 6.701 -3.149 2.467) 7.804 13.441 ( -9.009 0.321 6.373) 11.040 13.884 ( -11.632 -12.278 -12.896) 21.269 14.872 ( -1.174 -1.852 -3.849) 4.430 15.157 ( 0.917 -4.204 -0.413) 4.323 16.665 ( 26.746 1.293 -3.134) 26.960 18.519 ( 9.631 -8.817 -5.676) 14.238 18.959 ( -14.280 0.269 -1.978) 14.419 19.573 ( -3.327 -1.221 -0.963) 3.673 20.066 ( -18.851 10.337 8.757) 23.214 22.801 ( 19.624 -17.726 -2.455) 26.558 23.742 ( -15.458 1.494 -6.510) 16.839 24.326 ( -0.888 0.713 -2.562) 2.804 ======================= Grid point 223 (115/230) ======================= q-point: ( 0.40 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 7.608 3.614 6.255) 10.492 2.806 ( 4.320 7.524 1.737) 8.848 3.038 ( -7.268 -7.096 -0.057) 10.158 3.259 ( -4.680 -3.981 6.521) 8.959 3.471 ( -7.120 -8.044 -4.973) 11.838 3.597 ( 2.649 2.566 -5.756) 6.836 3.916 ( -4.078 -1.301 -18.186) 18.683 4.313 ( -7.005 -4.653 -11.769) 14.465 4.931 ( 13.335 5.497 14.161) 20.213 5.339 ( 5.598 0.032 13.391) 14.514 5.674 ( 2.523 7.079 3.989) 8.509 5.918 ( -5.221 -0.774 4.525) 6.952 6.654 ( 10.097 9.366 2.405) 13.980 7.323 ( -6.196 4.357 11.256) 13.568 7.826 ( -5.125 6.396 -1.852) 8.403 8.079 ( -9.792 1.717 5.328) 11.279 8.646 ( -0.105 5.161 2.475) 5.724 9.036 ( 3.286 17.093 12.056) 21.173 9.788 ( 13.078 -0.382 1.532) 13.173 10.567 ( 7.793 -1.917 -1.317) 8.133 11.111 ( -14.468 -1.138 -13.750) 19.992 11.887 ( 9.105 12.214 12.334) 19.601 12.200 ( -1.317 9.989 -7.283) 12.432 13.148 ( -8.506 1.103 11.230) 14.131 13.385 ( 5.367 -13.755 0.653) 14.779 13.642 ( -9.352 -6.938 -12.675) 17.212 14.862 ( 0.965 1.689 -2.174) 2.917 15.162 ( -0.432 -5.405 0.382) 5.435 17.241 ( 32.492 4.452 -7.250) 33.587 18.593 ( -9.138 -2.156 -8.474) 12.647 18.786 ( 5.848 -1.258 1.273) 6.116 19.481 ( -12.510 2.309 -1.494) 12.809 19.804 ( -4.265 2.030 16.832) 17.482 23.071 ( 4.015 -16.219 -13.723) 21.621 23.456 ( -6.743 -1.480 -0.300) 6.910 24.298 ( -1.318 0.930 -3.390) 3.754 ======================= Grid point 224 (116/230) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 2.562 -3.965 2.556) 5.368 2.719 ( -11.550 5.085 2.259) 12.821 2.950 ( -2.512 -0.093 -3.269) 4.124 3.169 ( -5.572 -1.086 -4.514) 7.252 3.346 ( -1.541 -5.873 0.532) 6.095 3.649 ( 3.590 3.614 -3.882) 6.405 3.884 ( 3.867 -9.011 -12.302) 15.732 4.168 ( -4.400 -2.771 -12.179) 13.242 5.190 ( 9.308 4.576 11.118) 15.205 5.415 ( -2.212 1.934 12.748) 13.082 5.704 ( -0.490 7.100 4.142) 8.234 5.836 ( -3.002 0.685 6.102) 6.835 6.866 ( 10.364 9.379 3.380) 14.381 7.241 ( -5.501 1.974 11.163) 12.600 7.709 ( -5.291 4.638 -5.202) 8.751 7.937 ( -6.173 -0.004 9.236) 11.109 8.662 ( 1.563 3.936 0.069) 4.236 9.117 ( 1.198 17.587 14.456) 22.797 9.938 ( 0.623 0.371 -2.348) 2.458 10.723 ( 6.411 0.360 1.886) 6.692 10.786 ( -12.988 1.773 -10.747) 16.951 12.008 ( -3.208 1.931 2.664) 4.595 12.147 ( 2.309 19.241 -1.223) 19.418 12.954 ( -11.136 -1.817 5.459) 12.535 13.412 ( -7.023 -6.921 -6.122) 11.606 13.612 ( 11.253 -13.423 -0.836) 17.536 14.891 ( 2.048 1.428 -1.822) 3.090 15.149 ( -0.672 -4.034 0.601) 4.133 17.865 ( 32.330 7.788 -8.171) 34.244 18.339 ( -11.361 0.590 -8.690) 14.316 18.992 ( 6.636 4.756 0.419) 8.175 19.075 ( -19.405 2.174 2.643) 19.705 19.980 ( 13.329 -7.540 20.883) 25.896 22.778 ( -21.692 -12.103 -22.118) 33.260 23.599 ( 13.036 -5.568 3.515) 14.604 24.258 ( -1.715 1.172 -4.860) 5.285 ======================= Grid point 225 (117/230) ======================= q-point: (-0.40 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -14.016 -1.620 2.370) 14.307 2.517 ( -11.324 10.117 1.179) 15.230 2.879 ( -1.852 -3.130 -6.187) 7.177 3.146 ( 4.545 -3.479 -5.521) 7.953 3.354 ( 0.310 -3.499 2.585) 4.361 3.719 ( 4.119 1.115 1.564) 4.545 3.997 ( 9.003 -4.814 -6.599) 12.156 4.081 ( -1.653 -1.651 -12.495) 12.711 5.257 ( -8.934 5.812 8.019) 13.338 5.373 ( 0.336 2.578 11.251) 11.548 5.672 ( -3.835 6.189 4.214) 8.412 5.843 ( 1.066 0.380 6.081) 6.185 7.012 ( -1.366 0.151 4.585) 4.787 7.177 ( 0.650 5.816 10.441) 11.969 7.623 ( -1.470 3.801 -7.816) 8.814 7.894 ( -0.461 0.428 11.121) 11.139 8.704 ( 2.602 2.930 -1.121) 4.075 9.137 ( -2.753 16.098 14.217) 21.653 9.813 ( -10.874 -1.276 -3.347) 11.449 10.488 ( -13.194 5.910 -1.913) 14.584 10.867 ( 3.768 2.065 -0.291) 4.306 11.802 ( -13.687 -4.210 -5.872) 15.476 12.293 ( 9.291 24.162 4.114) 26.211 12.779 ( -7.162 -0.145 0.267) 7.168 13.265 ( -5.710 -4.362 -4.871) 8.680 13.876 ( 14.787 -17.612 0.398) 23.000 14.907 ( -0.481 -1.926 -2.048) 2.853 15.155 ( 1.505 -0.658 -0.239) 1.660 18.092 ( -11.542 3.254 -8.620) 14.769 18.453 ( 20.832 12.469 -6.742) 25.197 18.575 ( -14.283 -4.991 1.840) 15.242 19.297 ( 15.260 3.620 3.381) 16.044 20.346 ( 17.677 -7.709 24.144) 30.901 22.244 ( -26.761 -13.204 -24.602) 38.675 23.853 ( 11.498 -2.391 2.056) 11.922 24.214 ( -1.096 1.220 -6.453) 6.658 ======================= Grid point 226 (118/230) ======================= q-point: (-0.30 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -12.760 6.992 2.961) 14.848 2.290 ( -11.052 14.256 5.894) 18.977 2.861 ( 0.985 -6.118 -2.160) 6.562 3.214 ( -0.024 -9.228 0.065) 9.228 3.408 ( 7.105 4.698 0.429) 8.528 3.811 ( 3.686 0.133 2.000) 4.196 3.987 ( -3.590 5.390 -5.047) 8.210 4.209 ( 11.274 -6.039 -8.071) 15.124 5.045 ( -11.840 5.288 7.561) 15.011 5.370 ( -4.245 1.985 8.175) 9.423 5.578 ( -6.566 3.559 3.890) 8.421 5.863 ( -0.940 0.008 4.834) 4.924 6.830 ( -13.943 -6.682 4.891) 16.216 7.315 ( 7.012 9.769 10.314) 15.842 7.623 ( 3.703 4.109 -9.581) 11.063 7.969 ( 5.074 0.827 11.394) 12.500 8.741 ( 0.907 1.171 -2.421) 2.838 9.079 ( -6.013 13.756 12.477) 19.520 9.572 ( -11.844 -1.814 -1.407) 12.064 10.253 ( -11.086 10.513 5.896) 16.377 10.849 ( -5.130 1.687 -2.177) 5.823 11.499 ( -14.950 -7.835 -6.443) 18.067 12.487 ( 8.883 25.785 1.971) 27.343 12.672 ( -3.426 5.007 -5.599) 8.256 13.192 ( -0.528 -6.831 -0.502) 6.870 14.173 ( 15.349 -18.692 -1.911) 24.262 14.863 ( -3.297 -4.057 -1.584) 5.462 15.198 ( 2.862 0.867 -2.811) 4.104 17.698 ( -26.554 1.815 1.604) 26.665 18.353 ( 1.995 -8.501 -5.385) 10.259 18.979 ( 23.880 8.502 -6.539) 26.178 19.603 ( 14.475 3.371 4.115) 15.421 20.744 ( 16.034 -4.190 25.120) 30.094 21.632 ( -29.426 -12.316 -25.065) 40.569 24.034 ( 6.201 2.082 -0.260) 6.547 24.208 ( 2.687 0.592 -6.269) 6.847 ======================= Grid point 227 (119/230) ======================= q-point: (-0.20 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -5.316 13.979 9.839) 17.902 2.137 ( -6.322 17.910 10.209) 21.562 2.910 ( 3.668 -7.341 4.234) 9.235 3.157 ( -5.349 -2.777 7.455) 9.586 3.593 ( 8.727 2.387 -1.084) 9.113 3.809 ( -1.436 5.316 -6.756) 8.716 3.951 ( -0.928 4.568 6.633) 8.107 4.359 ( 4.588 0.893 -7.832) 9.120 4.901 ( -3.038 -0.566 4.861) 5.760 5.250 ( -9.215 1.665 7.752) 12.156 5.450 ( -6.827 -1.335 2.665) 7.449 5.820 ( -4.594 -1.824 5.769) 7.597 6.569 ( -12.477 -1.683 2.791) 12.896 7.458 ( 4.979 9.791 11.538) 15.931 7.722 ( 8.410 5.527 -11.097) 14.981 8.125 ( 7.640 0.014 11.653) 13.935 8.687 ( -6.528 1.176 -0.631) 6.663 8.996 ( -4.779 9.081 10.369) 14.589 9.388 ( -5.252 0.334 -2.010) 5.634 10.100 ( -6.171 13.132 11.852) 18.735 10.677 ( -11.465 -0.449 -2.243) 11.691 11.221 ( -11.393 -11.071 -5.204) 16.717 12.609 ( 0.032 12.181 1.209) 12.241 12.617 ( 2.853 20.143 -12.633) 23.947 13.253 ( 6.334 -6.471 2.336) 9.351 14.448 ( 13.124 -19.305 -4.496) 23.772 14.783 ( -4.281 -4.080 -1.265) 6.047 15.240 ( 2.242 0.448 -6.044) 6.462 17.172 ( -27.071 -7.057 9.003) 29.389 18.500 ( 12.805 -9.734 -10.545) 19.233 19.373 ( 17.711 7.265 -6.936) 20.361 19.839 ( 6.959 -0.204 0.279) 6.968 20.959 ( -12.883 -1.085 -0.018) 12.929 21.121 ( -2.302 -5.540 6.033) 8.508 24.109 ( 3.437 4.405 -4.061) 6.907 24.282 ( 4.810 1.558 -3.312) 6.045 ======================= Grid point 228 (120/230) ======================= q-point: (-0.10 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 0.830 13.822 16.418) 21.478 2.102 ( 0.313 22.924 13.256) 26.483 2.979 ( -1.464 -2.876 10.440) 10.928 3.103 ( 1.110 0.299 9.743) 9.810 3.597 ( -5.138 -6.415 1.829) 8.420 3.908 ( 5.159 6.633 -2.979) 8.916 3.918 ( 0.907 12.616 5.789) 13.910 4.353 ( -1.818 5.703 -8.747) 10.599 4.921 ( 1.158 -3.921 1.957) 4.533 5.101 ( -5.831 1.329 8.173) 10.127 5.342 ( -4.382 -6.346 2.286) 8.043 5.736 ( -4.700 -3.284 8.528) 10.276 6.389 ( -6.117 4.961 0.158) 7.878 7.569 ( 3.806 10.719 11.364) 16.079 7.864 ( 7.778 7.467 -11.947) 16.093 8.277 ( 2.581 2.546 10.424) 11.036 8.566 ( -1.995 -0.200 6.069) 6.392 8.908 ( -6.548 5.513 7.859) 11.620 9.402 ( 7.192 2.957 -4.082) 8.782 10.080 ( 1.214 12.588 15.185) 19.761 10.408 ( -15.287 -4.088 -1.739) 15.920 11.055 ( -4.132 -13.445 -2.615) 14.306 12.601 ( 1.220 10.258 -6.002) 11.947 12.630 ( 0.135 18.462 -9.332) 20.687 13.417 ( 9.000 -3.867 1.178) 9.866 14.626 ( 2.966 -19.215 -7.340) 20.782 14.719 ( 1.409 -4.135 -0.526) 4.400 15.253 ( 0.884 -0.097 -9.281) 9.324 16.707 ( -23.245 -13.774 14.956) 30.883 18.705 ( 8.459 -8.881 -20.910) 24.241 19.565 ( -2.488 3.498 -6.396) 7.703 19.812 ( -1.072 -1.864 -10.339) 10.560 20.822 ( 8.799 1.325 8.242) 12.129 21.188 ( -2.392 0.104 15.448) 15.632 24.174 ( 3.995 4.865 -3.877) 7.393 24.349 ( 2.531 3.157 -3.008) 5.042 ======================= Grid point 229 (121/230) ======================= q-point: ( 0.00 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 4.237 7.508 9.423) 12.772 2.585 ( -1.758 14.261 16.506) 21.884 2.939 ( 3.386 -2.340 10.928) 11.677 3.100 ( 5.831 -8.597 12.319) 16.114 3.358 ( -9.198 -2.508 2.905) 9.967 4.004 ( -1.001 2.298 -0.058) 2.507 4.262 ( 4.317 8.679 6.867) 11.879 4.456 ( -0.378 5.803 -7.537) 9.520 4.848 ( -2.902 -1.120 0.895) 3.236 5.072 ( -6.374 -3.304 3.235) 7.875 5.167 ( 6.201 -2.891 1.226) 6.951 5.627 ( 0.391 -3.120 10.213) 10.686 6.421 ( -0.720 2.504 -2.278) 3.461 7.894 ( 2.533 8.831 11.645) 14.833 8.043 ( 2.002 4.953 -6.050) 8.071 8.228 ( -3.016 -7.824 9.342) 12.553 8.773 ( 11.225 6.412 3.040) 13.279 8.950 ( 0.961 3.265 9.988) 10.552 9.631 ( 12.842 0.119 -3.223) 13.241 9.942 ( -20.186 -4.697 -1.595) 20.787 10.462 ( 5.661 12.213 12.247) 18.199 10.760 ( 5.535 -13.846 7.078) 16.506 12.788 ( -3.703 7.566 -2.560) 8.804 12.843 ( 2.416 4.509 -8.377) 9.815 13.561 ( 6.440 1.432 -3.634) 7.532 14.248 ( -1.080 -12.919 -12.403) 17.942 14.671 ( 1.324 -2.375 -0.278) 2.733 15.242 ( -0.370 0.447 -10.953) 10.968 16.163 ( -14.625 -4.165 14.694) 21.146 18.570 ( -5.412 -1.424 -32.649) 33.125 19.402 ( -5.868 -0.145 0.788) 5.922 19.888 ( 3.698 0.648 -10.174) 10.845 21.076 ( -9.564 1.837 11.309) 14.924 21.171 ( 18.632 -3.008 12.390) 22.577 24.308 ( 2.014 2.694 -2.379) 4.120 24.391 ( -1.091 -0.251 -1.441) 1.824 ======================= Grid point 230 (122/230) ======================= q-point: ( 0.10 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 5.071 8.011 6.826) 11.683 2.593 ( -1.012 10.344 17.267) 20.154 3.018 ( 2.570 -0.544 6.770) 7.262 3.176 ( -2.190 -1.747 2.508) 3.760 3.265 ( -0.211 -11.062 11.311) 15.822 3.968 ( -2.820 0.337 0.817) 2.955 4.334 ( 1.428 15.779 1.747) 15.940 4.485 ( 5.396 2.688 -0.358) 6.039 4.752 ( -6.515 -1.312 -0.448) 6.660 4.948 ( -6.010 -8.408 2.346) 10.598 5.346 ( 10.294 0.783 1.039) 10.376 5.709 ( 5.117 -3.267 7.761) 9.853 6.425 ( 1.600 2.661 -1.047) 3.277 7.903 ( -6.824 8.336 15.096) 18.546 8.014 ( 0.206 2.771 -8.012) 8.480 8.287 ( 5.530 -6.010 8.531) 11.810 8.862 ( 0.390 10.708 4.359) 11.567 9.097 ( 6.197 5.272 7.161) 10.838 9.538 ( -18.009 -5.046 -1.388) 18.754 9.904 ( 13.761 -1.790 -3.256) 14.254 10.734 ( 19.451 4.754 14.767) 24.880 10.966 ( 12.365 -8.943 6.607) 16.629 12.693 ( -4.752 9.907 -3.479) 11.525 12.889 ( 3.420 0.695 -6.446) 7.330 13.637 ( 2.114 1.214 -3.753) 4.475 14.129 ( -7.783 -10.394 -13.081) 18.431 14.713 ( 2.836 -3.718 -0.616) 4.716 15.198 ( -1.374 0.590 -10.412) 10.519 16.050 ( 0.288 -2.441 11.804) 12.057 18.352 ( -6.370 -1.193 -24.491) 25.334 19.331 ( -4.090 -0.468 -0.024) 4.117 19.860 ( -4.190 0.881 -8.721) 9.715 20.829 ( -15.465 2.141 8.312) 17.687 21.642 ( 24.108 -5.127 8.808) 26.173 24.278 ( -6.052 3.376 -1.984) 7.209 24.357 ( -0.534 -1.305 -1.829) 2.309 ======================= Grid point 231 (123/230) ======================= q-point: ( 0.20 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 1.604 9.812 6.360) 11.802 2.650 ( 3.503 7.912 13.746) 16.243 3.072 ( 1.615 -0.497 3.909) 4.259 3.154 ( 0.976 -6.836 -0.776) 6.949 3.262 ( -3.452 -9.933 6.426) 12.323 3.895 ( -4.804 2.390 0.859) 5.434 4.345 ( -1.310 7.244 -9.598) 12.096 4.528 ( -4.954 -0.633 -5.488) 7.421 4.666 ( 1.346 9.335 5.912) 11.131 4.922 ( 3.784 -11.212 10.194) 15.619 5.545 ( 9.336 3.019 1.496) 9.925 5.830 ( 4.822 -3.572 5.895) 8.412 6.482 ( 4.442 3.176 1.120) 5.574 7.741 ( -11.368 5.086 13.200) 18.147 8.022 ( 0.928 2.613 -4.360) 5.167 8.373 ( -1.623 -3.816 5.900) 7.211 8.866 ( -0.781 11.493 2.984) 11.900 9.175 ( 1.260 6.820 5.044) 8.576 9.302 ( -2.848 -5.508 2.106) 6.548 10.150 ( 11.735 -2.023 -2.005) 12.076 11.175 ( 12.342 -1.656 5.873) 13.768 11.255 ( 21.399 -2.015 11.164) 24.220 12.605 ( -2.967 13.951 -2.514) 14.483 12.928 ( 1.496 -5.749 -3.507) 6.899 13.627 ( -2.408 3.684 -2.580) 5.102 13.899 ( -12.108 -10.078 -11.796) 19.680 14.771 ( 3.219 -3.171 -1.090) 4.648 15.149 ( -1.239 0.267 -7.724) 7.827 16.234 ( 16.421 -0.603 4.439) 17.022 18.272 ( 3.121 -2.712 -14.737) 15.306 19.198 ( -9.459 -0.339 -2.007) 9.675 19.708 ( -8.458 0.513 -5.372) 10.032 20.539 ( -16.114 3.503 7.726) 18.210 22.117 ( 22.545 -6.732 4.245) 23.909 24.080 ( -12.974 1.699 -4.607) 13.872 24.347 ( -0.447 -0.265 -1.065) 1.185 ======================= Grid point 232 (124/230) ======================= q-point: ( 0.30 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 0.123 9.923 6.702) 11.975 2.778 ( 6.193 3.220 8.938) 11.340 3.079 ( -3.348 0.464 0.445) 3.409 3.142 ( -3.123 -8.034 3.900) 9.460 3.250 ( 4.367 -9.685 -4.866) 11.685 3.793 ( -5.649 5.221 0.033) 7.692 4.190 ( -9.478 4.171 -19.693) 22.250 4.351 ( -8.783 -7.241 -11.894) 16.464 4.816 ( 9.710 9.393 12.935) 18.703 5.099 ( 9.127 -5.943 15.551) 18.985 5.706 ( 6.434 4.306 2.423) 8.112 5.901 ( 0.751 -3.108 5.395) 6.271 6.612 ( 8.444 3.994 2.538) 9.680 7.557 ( -9.912 4.077 12.126) 16.184 8.008 ( -2.273 2.963 0.309) 3.747 8.218 ( -12.980 -5.357 2.180) 14.210 8.838 ( -1.651 7.933 -6.382) 10.315 9.234 ( 3.843 9.572 9.267) 13.866 9.448 ( 13.816 -3.429 7.697) 16.183 10.351 ( 9.255 -2.235 0.012) 9.521 11.251 ( -2.111 -3.097 -9.473) 10.188 11.711 ( 18.284 1.768 15.804) 24.233 12.571 ( -0.809 19.079 -0.951) 19.119 12.940 ( 0.910 -14.355 1.941) 14.515 13.492 ( -12.538 4.196 -2.448) 13.446 13.669 ( -6.661 -8.056 -8.458) 13.446 14.828 ( 2.726 -1.414 -1.486) 3.412 15.116 ( -0.611 -0.608 -4.932) 5.007 16.689 ( 29.130 0.816 -2.907) 29.286 18.390 ( 10.808 -3.425 -8.220) 14.004 18.964 ( -13.143 0.147 -3.097) 13.504 19.554 ( -5.570 -0.495 -0.665) 5.631 20.222 ( -18.621 4.283 8.609) 20.957 22.535 ( 19.504 -7.134 0.099) 20.768 23.763 ( -17.507 0.522 -6.509) 18.685 24.333 ( -0.689 0.087 -1.805) 1.934 ======================= Grid point 233 (125/230) ======================= q-point: ( 0.40 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -0.555 4.864 4.569) 6.696 2.881 ( -2.674 -5.470 7.761) 9.864 2.976 ( 0.181 6.279 -2.801) 6.877 3.131 ( -0.193 -4.976 1.960) 5.351 3.320 ( 2.989 -6.096 -9.149) 11.393 3.671 ( -6.702 2.667 -2.840) 7.752 3.961 ( -7.112 4.773 -19.841) 21.611 4.172 ( -5.651 -7.434 -12.569) 15.658 5.053 ( 10.574 4.746 13.187) 17.556 5.307 ( 7.631 -2.139 16.416) 18.229 5.800 ( 2.310 4.622 3.637) 6.319 5.887 ( -3.074 -2.117 5.892) 6.975 6.811 ( 10.657 4.631 2.761) 11.944 7.426 ( -6.298 4.750 11.190) 13.691 7.911 ( -9.621 0.682 -1.121) 9.710 7.977 ( -9.286 -5.597 6.815) 12.806 8.797 ( 0.344 6.358 -13.522) 14.946 9.332 ( 2.687 8.694 14.494) 17.114 9.771 ( 14.400 -0.946 7.572) 16.297 10.527 ( 9.137 -1.519 1.777) 9.432 11.078 ( -11.373 -1.307 -15.429) 19.213 12.001 ( 7.204 1.504 10.665) 12.958 12.534 ( -2.494 19.004 1.325) 19.212 13.015 ( 5.764 -18.193 3.763) 19.452 13.198 ( -14.584 1.047 2.031) 14.762 13.551 ( -5.114 -2.445 -8.037) 9.834 14.867 ( 1.587 -0.539 -1.486) 2.240 15.105 ( 0.541 -0.683 -2.908) 3.035 17.317 ( 35.316 2.323 -7.400) 36.158 18.544 ( -1.659 -1.814 -9.447) 9.762 18.777 ( 3.014 0.054 1.155) 3.229 19.485 ( -4.341 -0.601 0.282) 4.391 19.869 ( -17.240 2.595 14.503) 22.678 22.820 ( 6.132 -6.921 -9.436) 13.211 23.439 ( -9.688 -0.328 -2.054) 9.909 24.310 ( -1.120 0.250 -3.379) 3.568 ======================= Grid point 234 (126/230) ======================= q-point: (-0.50 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -3.659 -1.554 2.600) 4.750 2.759 ( -6.532 -0.298 3.162) 7.263 3.018 ( -1.409 4.718 -7.315) 8.817 3.119 ( -0.838 -3.386 -2.323) 4.191 3.317 ( 0.091 3.695 -4.533) 5.849 3.547 ( -2.646 -9.782 -5.302) 11.437 3.874 ( 1.721 4.338 -12.158) 13.023 4.093 ( 0.397 -3.750 -11.631) 12.227 5.267 ( 7.789 2.345 11.462) 14.055 5.437 ( 0.619 0.364 14.819) 14.836 5.804 ( -2.169 2.057 6.289) 6.963 5.847 ( -2.034 0.720 5.026) 5.469 7.000 ( 6.017 2.875 3.604) 7.580 7.358 ( -3.196 8.507 9.541) 13.176 7.705 ( -7.536 -6.474 -3.876) 10.664 7.866 ( -5.737 -1.821 10.881) 12.435 8.790 ( 2.178 5.495 -14.913) 16.042 9.393 ( -0.418 7.533 16.603) 18.236 9.936 ( -0.619 -0.349 4.443) 4.499 10.728 ( 8.905 0.147 2.517) 9.255 10.802 ( -10.289 0.052 -12.593) 16.262 11.989 ( -9.700 -1.124 1.177) 9.835 12.562 ( 5.221 17.607 7.336) 19.776 12.926 ( -9.232 -2.859 -2.028) 9.875 13.212 ( 8.260 -10.458 8.432) 15.770 13.419 ( -5.420 -4.039 -8.675) 10.998 14.878 ( -0.229 -1.360 -1.232) 1.850 15.126 ( 2.211 0.500 -2.246) 3.191 17.992 ( 34.607 3.788 -9.314) 36.038 18.340 ( -10.127 -0.296 -9.838) 14.122 19.032 ( 16.066 0.752 3.388) 16.436 19.152 ( -27.997 2.807 -0.207) 28.138 19.854 ( 9.588 -3.775 21.784) 24.098 22.586 ( -21.370 -5.433 -20.249) 29.938 23.528 ( 13.418 -1.581 4.422) 14.216 24.272 ( -1.600 0.295 -5.280) 5.525 ======================= Grid point 235 (127/230) ======================= q-point: (-0.40 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -6.276 -0.355 2.801) 6.882 2.668 ( -3.869 3.085 0.085) 4.949 2.866 ( -8.579 1.783 -9.014) 12.571 3.069 ( -3.492 -3.111 -4.437) 6.446 3.376 ( 6.258 6.200 1.527) 8.941 3.583 ( 5.845 -11.820 0.383) 13.192 3.938 ( 6.902 0.307 -10.199) 12.318 4.104 ( 2.391 0.889 -10.539) 10.843 5.358 ( -7.598 3.557 9.696) 12.822 5.402 ( -0.243 -0.043 10.208) 10.211 5.773 ( -4.609 3.456 4.474) 7.294 5.829 ( -0.068 -1.418 7.998) 8.123 6.968 ( -10.039 -1.745 4.980) 11.341 7.387 ( 4.474 10.771 7.395) 13.810 7.646 ( 1.919 -2.620 -5.633) 6.502 7.814 ( -1.723 -4.707 12.440) 13.412 8.804 ( 2.383 4.482 -12.974) 13.932 9.385 ( -4.667 6.715 16.788) 18.674 9.788 ( -12.808 -0.976 -0.176) 12.846 10.579 ( -8.426 2.470 -0.360) 8.788 10.899 ( 4.229 0.960 -1.311) 4.531 11.702 ( -17.944 -3.615 -1.201) 18.344 12.735 ( 10.074 15.963 5.330) 19.614 12.811 ( -2.446 1.953 0.780) 3.226 13.209 ( -6.768 0.478 -8.368) 10.773 13.498 ( 12.534 -17.074 2.616) 21.342 14.852 ( -2.171 -2.035 -0.857) 3.097 15.175 ( 3.144 1.174 -3.017) 4.513 18.158 ( -5.354 2.497 -9.863) 11.497 18.480 ( -21.036 -3.329 3.593) 21.598 18.658 ( 16.862 6.067 -11.543) 21.316 19.356 ( 15.556 1.720 4.910) 16.403 20.208 ( 19.325 -4.426 25.112) 31.995 22.053 ( -26.709 -4.956 -22.075) 35.003 23.822 ( 14.292 -0.716 3.165) 14.656 24.227 ( -1.370 0.187 -7.032) 7.167 ======================= Grid point 236 (128/230) ======================= q-point: (-0.30 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -5.483 4.958 4.138) 8.472 2.578 ( -4.801 12.038 -0.224) 12.962 2.746 ( -1.636 -4.062 -1.646) 4.678 2.994 ( -3.664 -10.387 2.788) 11.362 3.542 ( 9.487 8.295 1.443) 12.684 3.724 ( 7.110 -8.128 2.273) 11.035 4.060 ( 5.531 1.095 -10.128) 11.591 4.134 ( 5.177 -0.490 -7.890) 9.449 5.152 ( -12.833 3.655 7.344) 15.231 5.385 ( -4.887 -0.270 6.600) 8.217 5.644 ( -9.199 2.576 4.100) 10.395 5.830 ( -2.835 -2.101 7.701) 8.471 6.742 ( -11.897 -2.027 3.721) 12.629 7.521 ( 6.800 8.174 7.755) 13.160 7.701 ( 4.511 4.586 -4.004) 7.577 7.871 ( 4.354 -8.846 10.420) 14.345 8.811 ( 0.601 3.563 -9.745) 10.393 9.286 ( -9.113 5.803 15.350) 18.771 9.531 ( -11.552 -1.793 -0.354) 11.696 10.443 ( -6.311 6.320 5.761) 10.628 10.874 ( -6.094 0.741 -2.539) 6.643 11.327 ( -19.337 -6.448 -0.425) 20.388 12.801 ( 0.835 6.332 -1.734) 6.618 12.964 ( 11.305 15.818 3.627) 19.778 13.061 ( -5.290 -3.109 -8.257) 10.287 13.774 ( 14.746 -17.060 -1.622) 22.608 14.795 ( -3.348 -1.941 -0.462) 3.898 15.225 ( 2.751 1.001 -4.692) 5.530 17.756 ( -35.666 2.709 5.690) 36.219 18.196 ( 4.263 -5.297 -10.143) 12.211 19.123 ( 23.474 4.316 -11.537) 26.510 19.644 ( 12.220 0.815 4.753) 13.138 20.667 ( 19.876 -2.507 25.971) 32.800 21.469 ( -27.207 -3.771 -20.444) 34.240 24.074 ( 10.399 1.442 1.441) 10.597 24.200 ( 0.940 -0.774 -7.539) 7.637 ======================= Grid point 237 (129/230) ======================= q-point: (-0.20 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -3.159 7.267 6.704) 10.380 2.531 ( -0.316 19.257 5.945) 20.156 2.768 ( 2.572 -5.513 6.835) 9.150 2.945 ( -2.270 -15.016 7.964) 17.148 3.662 ( -0.517 3.202 -0.114) 3.245 3.868 ( 8.234 0.201 0.539) 8.254 4.097 ( 2.476 8.385 -2.019) 8.974 4.292 ( 10.232 -6.233 -7.952) 14.380 4.943 ( -8.546 2.737 3.449) 9.613 5.256 ( -8.970 -1.023 5.246) 10.441 5.447 ( -11.366 1.220 3.321) 11.904 5.751 ( -6.521 -3.235 8.935) 11.525 6.563 ( -6.934 0.233 1.152) 7.033 7.672 ( 5.772 8.941 11.401) 15.596 7.819 ( 8.764 5.028 -6.108) 11.807 8.005 ( 6.903 -10.009 9.464) 15.407 8.760 ( -4.600 3.655 -4.732) 7.544 9.123 ( -10.018 3.323 13.080) 16.808 9.382 ( -2.729 -0.661 -1.033) 2.992 10.363 ( -3.502 9.938 8.596) 13.598 10.672 ( -13.328 0.303 -2.376) 13.541 10.980 ( -15.509 -9.957 1.779) 18.516 12.809 ( 0.584 9.556 -5.166) 10.879 12.950 ( -3.525 2.078 -5.042) 6.494 13.205 ( 11.454 6.308 0.363) 13.082 14.040 ( 12.788 -16.424 -6.476) 21.800 14.726 ( -3.375 -1.445 -0.177) 3.676 15.256 ( 1.751 0.630 -6.804) 7.054 17.086 ( -33.367 -1.842 9.685) 34.793 18.355 ( 13.428 -3.856 -14.452) 20.101 19.495 ( 17.173 3.829 -10.784) 20.637 19.810 ( 2.206 -1.640 -1.420) 3.095 20.952 ( -16.826 0.087 -6.969) 18.213 21.049 ( 9.899 -1.731 20.279) 22.633 24.189 ( 3.498 2.982 -5.920) 7.495 24.279 ( 6.556 -1.267 -0.548) 6.700 ======================= Grid point 238 (130/230) ======================= q-point: (-0.10 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 0.915 7.289 9.445) 11.965 2.566 ( 0.457 21.238 12.573) 24.685 2.848 ( 2.758 -5.438 12.660) 14.051 2.972 ( 3.353 -14.329 10.539) 18.100 3.545 ( -9.215 0.523 -0.109) 9.230 3.993 ( 3.121 1.991 -0.645) 3.757 4.167 ( 4.080 8.770 4.214) 10.550 4.438 ( 5.389 1.168 -7.757) 9.518 4.866 ( -0.483 -0.750 0.655) 1.107 5.115 ( -4.816 -0.822 5.359) 7.252 5.242 ( -9.572 -1.880 1.979) 9.954 5.653 ( -5.131 -3.406 10.903) 12.522 6.465 ( -3.362 2.012 -1.464) 4.183 7.796 ( 4.269 9.863 12.354) 16.375 7.966 ( 6.351 1.911 -3.793) 7.640 8.193 ( 8.645 -6.814 4.815) 12.014 8.639 ( -3.920 3.751 4.235) 6.882 8.992 ( -5.744 2.657 8.626) 10.698 9.429 ( 7.452 0.059 -2.398) 7.828 10.299 ( -11.763 1.615 2.381) 12.110 10.413 ( -5.987 10.859 6.665) 14.078 10.760 ( -6.926 -14.335 4.339) 16.501 12.807 ( 1.023 8.528 -6.984) 11.070 12.880 ( -2.940 3.882 -3.828) 6.194 13.410 ( 9.555 3.425 -2.033) 10.352 14.218 ( 6.917 -15.425 -10.191) 19.739 14.673 ( -1.639 -1.102 -0.073) 1.976 15.262 ( 0.736 0.402 -9.119) 9.157 16.530 ( -25.718 -4.070 13.004) 29.104 18.578 ( 11.199 -3.234 -23.977) 26.661 19.624 ( -11.894 1.889 -7.533) 14.205 19.776 ( 8.484 -1.309 -10.924) 13.893 20.844 ( 6.827 0.644 9.653) 11.840 21.188 ( -1.437 0.003 16.227) 16.291 24.252 ( 4.086 2.367 -4.799) 6.733 24.374 ( 3.029 -0.000 -0.384) 3.053 ======================= Grid point 279 (131/230) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -3.051 0.000 21.698) 21.911 1.774 ( 3.939 0.000 21.319) 21.679 2.916 ( 10.624 0.000 -1.038) 10.675 3.159 ( 2.739 0.000 -12.952) 13.238 3.639 ( -2.900 0.000 31.964) 32.096 3.710 ( 6.157 0.000 2.009) 6.477 4.043 ( 2.574 0.000 -4.563) 5.239 4.251 ( 2.539 0.000 14.994) 15.208 5.015 ( -11.390 0.000 5.121) 12.488 5.110 ( -3.355 0.000 -3.804) 5.073 5.646 ( 3.569 0.000 3.924) 5.304 5.768 ( 5.402 0.000 3.125) 6.241 6.202 ( -11.069 0.000 10.832) 15.488 7.117 ( 4.645 0.000 -16.111) 16.767 7.387 ( -1.750 0.000 13.778) 13.888 8.155 ( -6.995 0.000 -6.955) 9.864 8.223 ( -9.868 0.000 11.962) 15.507 9.021 ( 12.228 0.000 -12.545) 17.519 9.361 ( 10.154 0.000 24.770) 26.771 10.443 ( 14.753 0.000 -0.591) 14.765 10.474 ( -1.987 0.000 -0.540) 2.059 10.626 ( -10.941 0.000 -13.962) 17.738 11.740 ( 3.341 0.000 -5.315) 6.277 12.078 ( 8.278 0.000 -11.660) 14.300 14.035 ( 7.190 0.000 6.495) 9.689 14.736 ( -4.966 0.000 -10.387) 11.513 15.042 ( -4.051 0.000 3.898) 5.622 15.264 ( 7.280 0.000 -9.314) 11.821 18.115 ( -59.562 0.000 2.688) 59.623 18.329 ( 22.815 0.000 -1.637) 22.874 19.553 ( 0.319 0.000 1.710) 1.739 19.657 ( -1.185 0.000 -1.151) 1.652 21.149 ( -25.069 0.000 11.400) 27.539 21.792 ( 51.068 0.000 -7.910) 51.677 23.629 ( 5.135 0.000 3.524) 6.228 23.919 ( -3.038 0.000 -4.552) 5.473 ======================= Grid point 280 (132/230) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 8.540 0.000 20.881) 22.560 1.963 ( 10.609 0.000 14.205) 17.729 3.126 ( 10.375 0.000 -6.653) 12.325 3.176 ( 1.924 0.000 -15.523) 15.642 3.714 ( 3.023 0.000 24.275) 24.462 3.731 ( -2.669 0.000 -2.047) 3.364 4.080 ( 1.670 0.000 8.928) 9.082 4.430 ( 10.378 0.000 14.703) 17.997 4.793 ( -12.479 0.000 8.957) 15.361 5.021 ( -4.367 0.000 -7.348) 8.548 5.709 ( 2.006 0.000 1.995) 2.829 5.886 ( 4.631 0.000 -0.425) 4.651 6.128 ( 0.548 0.000 9.320) 9.336 7.195 ( 6.813 0.000 -13.463) 15.088 7.382 ( -2.288 0.000 17.020) 17.173 7.988 ( -7.631 0.000 -5.924) 9.660 8.086 ( -6.231 0.000 9.622) 11.464 9.288 ( 16.214 0.000 -10.264) 19.189 9.569 ( 4.257 0.000 29.879) 30.181 10.292 ( -11.165 0.000 -12.625) 16.854 10.551 ( 2.968 0.000 -7.872) 8.413 10.811 ( 22.695 0.000 -8.553) 24.253 11.728 ( -3.151 0.000 -8.145) 8.733 12.263 ( 13.041 0.000 -11.364) 17.297 14.201 ( 7.511 0.000 4.890) 8.963 14.598 ( -6.395 0.000 -14.395) 15.751 14.930 ( -8.638 0.000 1.854) 8.835 15.371 ( 5.368 0.000 -4.815) 7.211 17.114 ( -41.558 0.000 19.666) 45.976 18.800 ( 24.495 0.000 4.684) 24.939 19.491 ( -7.007 0.000 2.214) 7.349 19.599 ( -4.674 0.000 -1.258) 4.840 20.597 ( -32.472 0.000 5.184) 32.884 22.640 ( 37.390 0.000 -19.054) 41.965 23.768 ( 7.737 0.000 3.541) 8.508 23.831 ( -4.704 0.000 -5.779) 7.451 ======================= Grid point 281 (133/230) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 15.768 0.000 18.648) 24.420 2.228 ( 13.289 0.000 8.226) 15.629 3.149 ( -0.812 0.000 -17.790) 17.809 3.248 ( 2.203 0.000 -2.467) 3.307 3.650 ( -4.257 0.000 -3.461) 5.487 3.824 ( 5.929 0.000 -5.710) 8.232 4.198 ( 5.931 0.000 27.542) 28.173 4.477 ( -12.209 0.000 4.934) 13.168 4.768 ( 10.106 0.000 18.835) 21.375 4.923 ( -3.308 0.000 -7.391) 8.097 5.728 ( -0.365 0.000 0.700) 0.789 5.924 ( -0.063 0.000 -0.883) 0.885 6.212 ( 4.622 0.000 5.143) 6.915 7.304 ( 6.458 0.000 -9.648) 11.610 7.385 ( -1.635 0.000 19.749) 19.817 7.845 ( -5.678 0.000 -3.896) 6.886 8.034 ( -1.537 0.000 10.540) 10.652 9.549 ( 10.649 0.000 -4.797) 11.680 9.678 ( -0.086 0.000 32.312) 32.312 10.116 ( -0.702 0.000 -22.282) 22.293 10.622 ( 5.598 0.000 -5.187) 7.632 11.215 ( 17.809 0.000 -10.981) 20.922 11.598 ( -5.897 0.000 -7.935) 9.886 12.522 ( 16.233 0.000 -14.581) 21.820 14.267 ( -5.935 0.000 9.652) 11.331 14.409 ( -9.418 0.000 -15.649) 18.264 14.758 ( -5.553 0.000 1.578) 5.773 15.451 ( 3.613 0.000 -2.251) 4.257 16.659 ( -10.092 0.000 18.594) 21.156 19.195 ( -0.338 0.000 -1.742) 1.774 19.394 ( 10.919 0.000 15.247) 18.753 19.474 ( -7.499 0.000 -1.722) 7.694 19.948 ( -33.555 0.000 0.696) 33.562 23.142 ( 18.906 0.000 -24.740) 31.137 23.726 ( -3.645 0.000 -4.642) 5.902 23.928 ( 7.512 0.000 2.061) 7.789 ======================= Grid point 282 (134/230) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 18.594 0.000 16.206) 24.665 2.510 ( 14.072 0.000 4.039) 14.641 3.064 ( -3.071 0.000 -18.819) 19.068 3.183 ( -8.245 0.000 0.895) 8.294 3.557 ( -4.524 0.000 -3.409) 5.665 3.948 ( 9.007 0.000 -14.247) 16.856 4.208 ( -15.449 0.000 8.627) 17.695 4.354 ( 2.019 0.000 15.567) 15.697 4.897 ( 2.942 0.000 0.471) 2.979 5.030 ( 11.209 0.000 14.011) 17.943 5.700 ( -2.414 0.000 -0.070) 2.415 5.882 ( -4.062 0.000 -1.558) 4.351 6.318 ( 5.416 0.000 6.327) 8.329 7.372 ( 1.722 0.000 -6.077) 6.316 7.419 ( 0.507 0.000 19.986) 19.993 7.754 ( -2.860 0.000 -0.972) 3.020 8.067 ( 1.641 0.000 13.800) 13.897 9.655 ( 2.968 0.000 -5.660) 6.391 9.729 ( -2.361 0.000 33.328) 33.411 10.180 ( 10.875 0.000 -24.601) 26.898 10.746 ( 8.016 0.000 -2.394) 8.366 11.209 ( -12.569 0.000 -10.235) 16.209 11.681 ( 12.244 0.000 -5.674) 13.495 12.811 ( 16.808 0.000 -20.746) 26.700 14.026 ( -17.407 0.000 15.575) 23.358 14.165 ( -11.539 0.000 -12.955) 17.349 14.767 ( 3.182 0.000 3.237) 4.539 15.495 ( 1.185 0.000 -1.737) 2.102 16.727 ( 11.406 0.000 8.783) 14.395 18.916 ( -18.793 0.000 -3.061) 19.041 19.312 ( -8.163 0.000 -2.453) 8.523 19.335 ( -28.053 0.000 -0.255) 28.054 19.855 ( 23.218 0.000 20.120) 30.722 23.242 ( -1.496 0.000 -26.172) 26.215 23.726 ( 4.698 0.000 -3.823) 6.057 24.056 ( 5.012 0.000 0.025) 5.012 ======================= Grid point 283 (135/230) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 16.688 0.000 11.612) 20.331 2.789 ( 12.425 0.000 0.942) 12.460 2.963 ( -2.062 0.000 -16.277) 16.408 2.967 ( -11.955 0.000 0.118) 11.956 3.445 ( -7.161 0.000 1.919) 7.414 3.941 ( -12.989 0.000 7.455) 14.977 4.048 ( 0.661 0.000 -6.990) 7.021 4.342 ( -1.096 0.000 -6.253) 6.348 5.037 ( 8.357 0.000 8.841) 12.165 5.249 ( 7.953 0.000 10.318) 13.028 5.643 ( -3.080 0.000 -0.357) 3.100 5.764 ( -7.222 0.000 -0.041) 7.222 6.468 ( 8.219 0.000 8.601) 11.897 7.335 ( -3.686 0.000 -5.099) 6.292 7.498 ( 2.888 0.000 17.839) 18.071 7.731 ( 0.071 0.000 2.566) 2.567 8.148 ( 2.637 0.000 17.189) 17.390 9.698 ( 3.900 0.000 -11.948) 12.569 9.743 ( -4.250 0.000 32.039) 32.319 10.338 ( 9.763 0.000 -21.469) 23.585 10.885 ( -17.084 0.000 -6.232) 18.185 10.915 ( 8.965 0.000 1.421) 9.076 11.836 ( 3.472 0.000 -3.150) 4.688 13.025 ( 8.819 0.000 -29.802) 31.079 13.768 ( -11.632 0.000 14.858) 18.869 13.955 ( -5.226 0.000 -5.549) 7.623 14.840 ( 2.949 0.000 6.692) 7.313 15.485 ( -1.682 0.000 -2.596) 3.093 17.074 ( 21.401 0.000 2.789) 21.582 18.502 ( -21.829 0.000 -7.288) 23.013 18.897 ( -16.004 0.000 2.294) 16.168 19.162 ( -6.014 0.000 -3.121) 6.776 20.343 ( 21.181 0.000 23.974) 31.991 23.052 ( -10.183 0.000 -26.492) 28.382 23.827 ( 5.541 0.000 -3.899) 6.775 24.114 ( 0.924 0.000 -1.930) 2.140 ======================= Grid point 284 (136/230) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -17.361 0.000 0.600) 17.371 2.873 ( -0.240 0.000 -11.328) 11.331 3.054 ( 2.432 0.000 -1.149) 2.690 3.100 ( 14.700 0.000 -2.831) 14.970 3.301 ( -6.696 0.000 19.740) 20.845 3.790 ( -1.841 0.000 1.605) 2.442 3.882 ( -14.435 0.000 -1.708) 14.536 4.350 ( 1.539 0.000 -10.290) 10.404 5.205 ( 6.134 0.000 8.251) 10.281 5.377 ( 2.730 0.000 8.505) 8.932 5.591 ( -2.016 0.000 -0.679) 2.127 5.637 ( -5.124 0.000 2.119) 5.544 6.671 ( 9.931 0.000 9.813) 13.961 7.233 ( -4.620 0.000 -6.434) 7.921 7.602 ( 3.373 0.000 14.071) 14.469 7.760 ( 2.009 0.000 4.225) 4.679 8.238 ( 1.879 0.000 18.944) 19.037 9.696 ( -8.152 0.000 24.943) 26.241 9.730 ( 1.918 0.000 -16.408) 16.520 10.451 ( 6.595 0.000 -17.828) 19.009 10.555 ( -15.262 0.000 3.345) 15.624 11.077 ( 6.174 0.000 4.671) 7.742 11.800 ( -5.934 0.000 -0.734) 5.979 12.949 ( -8.102 0.000 -31.554) 32.577 13.648 ( -4.201 0.000 11.695) 12.427 14.006 ( 10.682 0.000 -3.729) 11.314 14.916 ( 3.052 0.000 9.047) 9.548 15.422 ( -3.867 0.000 -4.004) 5.566 17.536 ( 24.542 0.000 2.302) 24.650 18.066 ( -19.392 0.000 -11.694) 22.645 18.728 ( -2.507 0.000 4.966) 5.563 19.084 ( -0.621 0.000 -3.172) 3.232 20.785 ( 17.855 0.000 26.557) 32.001 22.738 ( -15.261 0.000 -30.310) 33.935 23.913 ( 3.909 0.000 -1.894) 4.343 24.081 ( -3.610 0.000 -3.358) 4.931 ======================= Grid point 285 (137/230) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -18.592 0.000 2.934) 18.822 2.796 ( -15.022 0.000 4.419) 15.658 2.928 ( -0.111 0.000 -2.269) 2.272 3.291 ( -2.279 0.000 6.525) 6.912 3.367 ( 12.171 0.000 -6.644) 13.867 3.555 ( -16.785 0.000 1.759) 16.877 3.897 ( 10.014 0.000 5.238) 11.301 4.285 ( -6.793 0.000 -3.218) 7.517 5.319 ( 4.155 0.000 6.892) 8.048 5.409 ( -0.757 0.000 9.413) 9.443 5.553 ( -2.093 0.000 -1.415) 2.526 5.582 ( -1.543 0.000 1.957) 2.492 6.884 ( 9.044 0.000 9.751) 13.299 7.144 ( -2.395 0.000 -9.433) 9.732 7.667 ( -0.436 0.000 8.563) 8.574 7.831 ( 4.450 0.000 3.103) 5.426 8.300 ( -0.086 0.000 19.285) 19.286 9.521 ( -14.030 0.000 13.434) 19.424 9.666 ( -4.729 0.000 -18.170) 18.775 10.339 ( -9.296 0.000 17.656) 19.954 10.518 ( 4.068 0.000 -13.432) 14.034 11.162 ( 1.082 0.000 6.500) 6.589 11.647 ( -8.348 0.000 0.410) 8.358 12.652 ( -13.460 0.000 -27.152) 30.305 13.641 ( 0.510 0.000 9.625) 9.638 14.270 ( 15.932 0.000 -7.028) 17.414 15.000 ( 2.970 0.000 10.140) 10.566 15.323 ( -4.878 0.000 -5.863) 7.627 17.729 ( -11.176 0.000 -14.108) 17.999 18.027 ( 24.760 0.000 5.381) 25.338 18.800 ( 7.809 0.000 5.439) 9.517 19.139 ( 7.044 0.000 -2.186) 7.375 21.158 ( 13.568 0.000 27.838) 30.968 22.305 ( -21.616 0.000 -35.274) 41.370 23.964 ( -7.188 0.000 -3.927) 8.191 23.971 ( 2.261 0.000 -0.231) 2.273 ======================= Grid point 286 (138/230) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -15.601 0.000 9.979) 18.520 2.423 ( -22.227 0.000 13.361) 25.933 3.028 ( 8.301 0.000 0.807) 8.340 3.178 ( -17.278 0.000 0.850) 17.299 3.234 ( -3.137 0.000 -2.612) 4.082 3.621 ( 10.613 0.000 -2.991) 11.027 4.099 ( -11.113 0.000 3.913) 11.782 4.107 ( 8.334 0.000 7.373) 11.127 5.391 ( 0.639 0.000 4.927) 4.969 5.417 ( -0.778 0.000 11.417) 11.443 5.490 ( -3.758 0.000 -1.887) 4.205 5.568 ( 0.052 0.000 1.990) 1.991 7.043 ( 3.878 0.000 7.295) 8.262 7.096 ( 0.109 0.000 -13.119) 13.119 7.579 ( -10.377 0.000 2.558) 10.687 7.951 ( 7.418 0.000 -0.111) 7.419 8.342 ( 0.232 0.000 21.573) 21.575 9.260 ( -14.078 0.000 10.579) 17.609 9.461 ( -11.637 0.000 -16.906) 20.524 10.245 ( -5.835 0.000 21.825) 22.592 10.543 ( 1.194 0.000 -9.202) 9.279 11.153 ( -3.287 0.000 6.311) 7.115 11.527 ( -3.161 0.000 1.391) 3.454 12.339 ( -11.725 0.000 -24.535) 27.193 13.699 ( 2.925 0.000 9.136) 9.592 14.560 ( 14.939 0.000 -7.205) 16.586 15.070 ( 1.580 0.000 10.002) 10.126 15.208 ( -4.915 0.000 -9.219) 10.447 17.586 ( 0.173 0.000 -14.102) 14.103 18.541 ( 26.511 0.000 8.551) 27.856 19.021 ( 12.610 0.000 4.438) 13.368 19.344 ( 13.860 0.000 0.436) 13.867 21.436 ( 7.854 0.000 27.424) 28.526 21.711 ( -30.651 0.000 -38.454) 49.176 23.797 ( -8.471 0.000 -3.408) 9.131 24.000 ( 0.673 0.000 0.117) 0.683 ======================= Grid point 287 (139/230) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -8.263 0.000 20.143) 21.772 2.031 ( -20.811 0.000 17.004) 26.875 2.891 ( -11.507 0.000 3.628) 12.066 3.166 ( -0.469 0.000 -7.031) 7.047 3.245 ( 10.836 0.000 5.429) 12.120 3.754 ( -0.593 0.000 10.287) 10.304 3.939 ( -2.176 0.000 -2.822) 3.563 4.227 ( 1.956 0.000 8.195) 8.425 5.332 ( -6.675 0.000 2.441) 7.107 5.360 ( -6.999 0.000 3.718) 7.925 5.480 ( 2.320 0.000 6.628) 7.022 5.613 ( 3.113 0.000 3.728) 4.857 6.950 ( -17.294 0.000 -0.313) 17.297 7.081 ( 1.667 0.000 -16.027) 16.114 7.393 ( -5.083 0.000 9.033) 10.365 8.110 ( 8.793 0.000 -3.952) 9.640 8.411 ( 0.020 0.000 23.396) 23.396 9.068 ( -6.830 0.000 12.043) 13.845 9.167 ( -13.376 0.000 -14.421) 19.669 10.207 ( -2.414 0.000 17.103) 17.273 10.526 ( -0.891 0.000 -5.806) 5.874 11.066 ( -6.970 0.000 2.858) 7.534 11.540 ( 3.637 0.000 1.543) 3.950 12.103 ( -6.256 0.000 -21.604) 22.491 13.790 ( 4.037 0.000 9.110) 9.964 14.795 ( 9.093 0.000 -2.649) 9.471 15.102 ( -0.602 0.000 8.702) 8.723 15.105 ( -1.571 0.000 -15.894) 15.972 17.667 ( 10.776 0.000 -11.742) 15.937 19.059 ( 21.305 0.000 3.422) 21.578 19.277 ( 11.863 0.000 3.063) 12.252 19.690 ( 20.609 0.000 5.603) 21.357 20.946 ( -35.705 0.000 -32.731) 48.437 21.572 ( -0.818 0.000 24.472) 24.486 23.641 ( -6.186 0.000 -1.570) 6.382 23.999 ( -0.623 0.000 -0.801) 1.015 ======================= Grid point 288 (140/230) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -2.141 0.000 25.011) 25.102 1.722 ( -14.369 0.000 20.011) 24.636 2.787 ( 0.632 0.000 3.979) 4.029 3.145 ( 1.125 0.000 -10.217) 10.279 3.500 ( 12.507 0.000 6.535) 14.111 3.678 ( -7.509 0.000 25.414) 26.500 3.987 ( 4.919 0.000 -9.561) 10.752 4.238 ( -2.196 0.000 10.412) 10.641 5.198 ( -6.185 0.000 1.101) 6.283 5.208 ( -9.291 0.000 3.579) 9.957 5.559 ( 3.812 0.000 6.164) 7.247 5.682 ( 3.041 0.000 4.075) 5.084 6.517 ( -22.462 0.000 5.498) 23.125 7.085 ( 2.798 0.000 -17.106) 17.333 7.382 ( -0.846 0.000 11.841) 11.871 8.228 ( 2.675 0.000 -6.495) 7.024 8.380 ( -8.380 0.000 17.821) 19.694 8.948 ( -3.216 0.000 -13.068) 13.458 9.113 ( 7.623 0.000 17.753) 19.321 10.251 ( 4.310 0.000 9.502) 10.434 10.495 ( -0.861 0.000 -3.407) 3.514 10.885 ( -11.325 0.000 -4.632) 12.235 11.646 ( 6.199 0.000 -1.146) 6.304 12.011 ( 1.512 0.000 -16.052) 16.123 13.899 ( 5.109 0.000 8.424) 9.852 14.838 ( -3.095 0.000 -3.606) 4.752 15.090 ( -2.342 0.000 6.560) 6.965 15.137 ( 7.994 0.000 -15.938) 17.830 17.933 ( 18.341 0.000 -7.496) 19.813 19.122 ( -26.553 0.000 -10.584) 28.585 19.474 ( 7.180 0.000 2.084) 7.476 19.742 ( -13.514 0.000 -5.375) 14.544 20.838 ( 38.755 0.000 0.387) 38.757 21.491 ( -13.078 0.000 18.541) 22.689 23.573 ( -0.425 0.000 1.373) 1.437 23.973 ( -1.677 0.000 -2.559) 3.060 ======================= Grid point 289 (141/230) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -0.019 12.924 18.945) 22.934 1.903 ( 1.250 11.868 20.764) 23.949 2.908 ( 6.986 0.446 -0.624) 7.028 3.267 ( 4.633 8.463 -12.276) 15.614 3.656 ( 4.415 -3.585 4.255) 7.103 3.681 ( -3.299 3.895 25.767) 26.267 4.044 ( 2.718 0.549 -2.463) 3.709 4.254 ( 3.862 -0.859 15.997) 16.479 5.040 ( -10.491 2.202 2.637) 11.039 5.074 ( -2.800 -3.404 -3.003) 5.333 5.617 ( 1.920 -2.423 4.211) 5.224 5.805 ( 4.664 2.623 1.494) 5.556 6.217 ( -9.115 1.717 11.181) 14.527 7.179 ( 4.179 6.104 -15.061) 16.779 7.497 ( -0.326 10.024 13.105) 16.502 8.139 ( -5.801 2.223 1.286) 6.344 8.395 ( -10.896 12.234 4.591) 17.014 8.985 ( 10.679 -2.982 -5.925) 12.571 9.400 ( 10.986 3.404 16.547) 20.151 10.300 ( 3.332 -6.856 -1.448) 7.759 10.443 ( -0.128 -2.641 1.314) 2.952 10.905 ( -0.727 17.154 -14.371) 22.390 11.744 ( 3.749 2.385 -4.630) 6.417 12.138 ( 6.459 5.333 -10.915) 13.759 13.981 ( 6.670 -5.215 7.249) 11.146 14.704 ( -5.955 -3.298 -8.876) 11.186 15.027 ( -3.932 -1.147 0.238) 4.103 15.200 ( 7.596 -6.360 -8.235) 12.883 17.755 ( -30.752 -26.449 12.349) 42.400 18.374 ( -2.204 -1.695 -9.775) 10.162 19.521 ( -1.398 -2.535 1.948) 3.489 19.674 ( 1.100 1.176 -2.537) 3.004 21.162 ( -23.244 1.238 10.681) 25.611 21.684 ( 44.482 -8.505 -4.325) 45.494 23.802 ( 5.776 13.701 -0.380) 14.873 23.976 ( -3.089 5.300 -3.739) 7.184 ======================= Grid point 290 (142/230) ======================= q-point: ( 0.10 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 4.614 10.874 18.803) 22.205 2.073 ( 10.750 10.124 14.472) 20.676 3.045 ( 6.583 -2.464 -6.897) 9.848 3.329 ( 4.370 8.639 -13.481) 16.598 3.678 ( -0.844 -4.551 4.849) 6.704 3.696 ( -1.661 -0.565 10.429) 10.575 4.095 ( 2.605 2.587 16.029) 16.444 4.465 ( 12.271 0.320 15.720) 19.945 4.804 ( -13.845 1.885 2.121) 14.133 5.009 ( -3.309 -1.091 -5.250) 6.301 5.654 ( 1.010 -4.022 3.076) 5.163 5.914 ( 5.547 1.494 -1.692) 5.988 6.162 ( 0.011 3.296 9.772) 10.313 7.244 ( 5.516 5.237 -11.286) 13.610 7.517 ( -0.975 11.560 14.104) 18.262 8.024 ( -5.669 5.323 -0.609) 7.800 8.221 ( -7.151 11.044 5.896) 14.418 9.220 ( 13.053 -5.209 -1.015) 14.090 9.603 ( 4.708 2.739 16.472) 17.349 10.160 ( -7.703 -10.446 -9.920) 16.336 10.655 ( 12.031 8.029 0.748) 14.484 10.971 ( 12.593 12.895 -15.921) 24.049 11.735 ( -3.600 1.559 -7.724) 8.663 12.304 ( 12.884 4.098 -10.493) 17.114 14.129 ( 5.918 -6.824 6.050) 10.871 14.548 ( -7.823 -5.145 -11.786) 15.052 14.919 ( -7.003 -0.601 -1.879) 7.276 15.315 ( 5.692 -5.536 -4.096) 8.935 17.013 ( -35.309 -9.263 20.448) 41.841 18.648 ( 20.121 -13.530 1.868) 24.319 19.433 ( -7.644 -3.334 0.322) 8.346 19.650 ( -3.256 2.803 -1.040) 4.421 20.653 ( -29.470 4.946 5.361) 30.359 22.458 ( 35.098 -14.686 -12.764) 40.130 23.877 ( -4.890 5.813 -4.614) 8.887 23.933 ( 6.202 11.223 -1.065) 12.867 ======================= Grid point 291 (143/230) ======================= q-point: ( 0.20 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 11.020 3.796 16.310) 20.046 2.347 ( 13.530 9.470 10.856) 19.763 3.101 ( 1.133 -1.529 -10.992) 11.156 3.345 ( -1.221 5.903 -8.417) 10.353 3.623 ( -3.624 -2.560 -2.759) 5.225 3.726 ( 4.290 -7.042 -5.578) 9.956 4.240 ( 5.603 3.864 25.644) 26.532 4.521 ( -15.483 0.314 5.868) 16.561 4.741 ( 10.421 -0.750 11.407) 15.469 4.946 ( 0.321 2.358 -3.711) 4.408 5.670 ( -0.095 -3.757 2.374) 4.445 5.976 ( 1.082 2.976 -2.884) 4.283 6.229 ( 4.005 2.101 7.108) 8.425 7.330 ( 4.745 4.116 -4.470) 7.710 7.521 ( -1.808 10.113 11.310) 15.279 7.926 ( -4.056 8.888 0.545) 9.785 8.158 ( -1.343 11.094 9.135) 14.434 9.459 ( 9.537 -8.036 10.320) 16.187 9.612 ( -5.186 -4.708 2.894) 7.578 10.117 ( 6.156 -1.071 -7.465) 9.735 10.814 ( 6.546 17.598 -5.308) 19.512 11.268 ( 14.944 3.867 -11.289) 19.124 11.602 ( -4.843 0.872 -8.337) 9.681 12.567 ( 16.185 4.485 -13.069) 21.281 14.172 ( -5.657 -8.686 9.573) 14.110 14.334 ( -10.920 -7.002 -12.239) 17.835 14.787 ( -3.794 2.396 -1.538) 4.743 15.400 ( 3.639 -5.061 -1.959) 6.533 16.632 ( -8.209 -2.511 18.066) 20.002 19.013 ( 12.491 -20.595 5.410) 24.687 19.225 ( -13.444 -2.118 -1.810) 13.729 19.589 ( -0.203 2.963 2.395) 3.816 20.091 ( -27.370 11.386 3.581) 29.859 22.974 ( 21.396 -14.270 -18.545) 31.707 23.743 ( -6.640 2.829 -4.058) 8.280 24.051 ( 5.433 8.678 -1.707) 10.379 ======================= Grid point 292 (144/230) ======================= q-point: ( 0.30 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 14.944 -2.215 12.295) 19.478 2.638 ( 13.503 7.560 9.336) 18.074 3.052 ( -2.599 0.428 -13.375) 13.632 3.226 ( -8.721 3.058 -4.746) 10.389 3.539 ( -4.332 -1.838 -3.869) 6.093 3.845 ( 9.238 -8.224 -11.846) 17.126 4.185 ( -15.049 -3.062 3.686) 15.793 4.387 ( -2.614 1.951 14.751) 15.108 4.865 ( 5.471 -1.573 5.953) 8.237 5.107 ( 11.505 6.144 8.714) 15.686 5.659 ( -1.528 -2.197 1.692) 3.166 5.946 ( -3.477 4.249 -2.346) 5.970 6.339 ( 5.742 2.232 7.337) 9.580 7.399 ( 2.577 3.600 2.085) 4.893 7.493 ( -3.237 5.529 6.436) 9.081 7.872 ( -2.126 11.320 4.064) 12.213 8.199 ( 2.463 12.259 12.831) 17.916 9.467 ( -5.747 -15.974 3.367) 17.307 9.681 ( 7.964 -1.532 8.592) 11.815 10.285 ( 10.807 4.702 -7.201) 13.812 10.928 ( 6.636 18.003 -4.936) 19.812 11.211 ( -12.770 -0.095 -10.199) 16.343 11.725 ( 12.949 3.834 -5.575) 14.610 12.851 ( 15.963 4.075 -18.674) 24.902 13.958 ( -15.936 -6.278 15.316) 22.977 14.089 ( -11.088 -7.247 -12.101) 17.942 14.786 ( 2.140 1.616 2.149) 3.436 15.444 ( 1.161 -4.952 -1.598) 5.332 16.720 ( 12.130 -0.479 8.829) 15.011 18.898 ( -18.525 -2.891 -3.625) 19.096 19.046 ( -7.614 -12.872 0.111) 14.956 19.532 ( -16.817 6.756 -2.700) 18.323 19.890 ( 13.814 4.330 18.578) 23.553 23.174 ( 2.985 -7.403 -25.315) 26.543 23.660 ( 0.655 -3.696 0.132) 3.756 24.128 ( 2.796 5.037 -2.471) 6.268 ======================= Grid point 293 (145/230) ======================= q-point: ( 0.40 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 15.062 -5.698 6.916) 17.526 2.843 ( -0.996 -1.227 3.385) 3.735 2.991 ( -1.489 2.357 -11.896) 12.218 3.051 ( 0.419 8.107 -0.298) 8.123 3.417 ( -8.300 -2.754 -1.387) 8.854 3.884 ( -11.136 -5.547 4.944) 13.387 4.014 ( 4.459 -4.454 -8.627) 10.684 4.282 ( -7.168 -4.329 -2.804) 8.831 5.045 ( 9.120 1.598 10.766) 14.200 5.331 ( 8.561 6.576 8.528) 13.757 5.620 ( -2.794 -0.438 1.467) 3.186 5.839 ( -6.384 5.302 -0.720) 8.330 6.497 ( 8.581 2.914 8.715) 12.573 7.392 ( -4.080 5.293 -5.765) 8.826 7.484 ( 1.421 -0.257 14.479) 14.551 7.854 ( -1.126 10.417 6.523) 12.342 8.293 ( 3.338 13.373 15.032) 20.395 9.396 ( -2.114 -18.614 0.007) 18.733 9.830 ( 4.460 1.969 10.473) 11.552 10.461 ( 8.691 6.801 -9.755) 14.729 10.884 ( -15.746 0.993 -3.430) 16.146 11.075 ( 7.376 15.363 -4.346) 17.587 11.887 ( 3.541 4.373 -2.744) 6.260 13.043 ( 6.701 1.946 -27.139) 28.022 13.720 ( -10.800 -4.445 13.975) 18.213 13.892 ( -4.416 -6.112 -4.936) 9.012 14.843 ( 2.511 0.252 5.929) 6.443 15.435 ( -1.562 -4.766 -2.378) 5.551 17.083 ( 22.290 1.007 2.909) 22.502 18.496 ( -20.695 -0.644 -7.400) 21.988 18.872 ( -8.131 -2.061 1.176) 8.470 19.222 ( -12.036 5.270 -2.423) 13.361 20.306 ( 20.141 -3.359 23.353) 31.021 23.011 ( -10.961 -4.239 -27.100) 29.538 23.751 ( 6.509 -6.316 -0.404) 9.078 24.145 ( -0.417 2.288 -3.247) 3.994 ======================= Grid point 294 (146/230) ======================= q-point: (-0.50 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -15.934 0.256 0.794) 15.956 2.833 ( 1.848 -4.090 -6.188) 7.644 2.977 ( 5.308 -2.007 -4.418) 7.192 3.203 ( -9.452 -3.320 2.993) 10.455 3.256 ( 9.063 4.266 7.017) 12.230 3.735 ( -3.769 -4.758 3.500) 7.007 3.938 ( -10.286 3.961 -2.185) 11.237 4.243 ( 3.658 -9.865 -9.491) 14.170 5.217 ( 5.250 2.269 9.124) 10.769 5.458 ( 1.977 5.969 7.940) 10.128 5.561 ( -3.124 0.515 2.209) 3.860 5.734 ( -3.331 6.189 0.085) 7.028 6.707 ( 10.336 3.518 9.599) 14.538 7.282 ( -4.851 4.488 -6.735) 9.436 7.561 ( 2.509 -2.522 12.626) 13.118 7.859 ( 0.069 8.144 7.559) 11.111 8.381 ( 1.769 12.862 14.481) 19.449 9.362 ( -2.221 -18.344 0.501) 18.484 9.878 ( -2.066 3.415 4.400) 5.941 10.561 ( -0.928 5.176 -12.601) 13.654 10.592 ( -7.894 5.534 5.106) 10.909 11.216 ( 6.558 14.072 1.233) 15.574 11.852 ( -5.965 4.621 -0.194) 7.549 12.934 ( -9.445 -1.199 -27.997) 29.571 13.604 ( -4.362 -4.128 10.410) 12.018 13.963 ( 11.311 -4.220 -3.506) 12.572 14.911 ( 2.812 -0.463 8.072) 8.560 15.376 ( -3.572 -4.260 -3.528) 6.584 17.564 ( 25.516 2.715 1.821) 25.724 18.083 ( -18.528 1.478 -11.361) 21.784 18.769 ( -3.099 3.810 4.143) 6.426 19.082 ( -1.056 -0.206 -2.708) 2.914 20.743 ( 18.206 -4.066 26.328) 32.267 22.665 ( -17.305 -6.835 -30.009) 35.309 23.871 ( 5.544 -3.774 -0.310) 6.714 24.096 ( -3.631 1.222 -4.163) 5.657 ======================= Grid point 295 (147/230) ======================= q-point: (-0.40 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -17.436 2.387 2.574) 17.786 2.735 ( -16.424 -5.254 7.108) 18.651 2.904 ( 1.045 -2.085 -3.418) 4.138 3.232 ( 3.244 -3.950 2.757) 5.807 3.405 ( 6.044 2.149 -7.252) 9.682 3.606 ( -11.664 3.549 3.602) 12.713 3.887 ( 7.460 -0.692 2.618) 7.936 4.255 ( -2.047 -3.340 -2.718) 4.769 5.281 ( -0.164 -1.314 8.195) 8.302 5.459 ( -1.900 1.461 5.808) 6.283 5.531 ( -1.439 3.894 4.008) 5.771 5.707 ( -0.329 7.142 0.018) 7.150 6.927 ( 9.288 4.051 9.532) 13.912 7.190 ( -2.381 4.241 -9.497) 10.670 7.608 ( -1.416 -5.082 9.253) 10.652 7.897 ( 2.276 5.914 6.833) 9.319 8.427 ( 0.046 11.200 12.452) 16.748 9.286 ( -6.195 -14.339 1.751) 15.718 9.762 ( -9.310 3.314 -3.684) 10.546 10.371 ( -9.857 3.445 14.092) 17.539 10.622 ( 2.494 7.326 -9.725) 12.428 11.306 ( 1.322 13.263 2.848) 13.629 11.706 ( -7.524 6.051 2.255) 9.915 12.636 ( -13.233 -1.254 -24.360) 27.750 13.589 ( 0.183 -5.015 8.865) 10.187 14.230 ( 15.814 -3.951 -6.691) 17.620 14.986 ( 2.593 -1.275 8.778) 9.241 15.287 ( -4.407 -3.382 -5.036) 7.498 17.747 ( -11.773 1.678 -13.690) 18.134 18.068 ( 24.644 3.910 3.939) 25.261 18.776 ( 3.304 -2.301 4.296) 5.887 19.172 ( 10.047 3.104 -0.852) 10.550 21.127 ( 14.245 -3.039 27.722) 31.316 22.193 ( -23.569 -10.104 -33.706) 42.352 23.956 ( 1.922 -1.125 -0.093) 2.229 23.995 ( -4.128 2.325 -4.534) 6.558 ======================= Grid point 296 (148/230) ======================= q-point: (-0.30 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -14.553 4.204 9.444) 17.851 2.386 ( -19.511 -2.471 14.601) 24.495 3.007 ( 8.319 -1.948 0.919) 8.594 3.228 ( -3.549 1.678 -3.899) 5.533 3.263 ( -12.476 4.640 -0.327) 13.315 3.632 ( 8.858 1.101 -3.475) 9.579 4.063 ( 6.798 -3.615 2.510) 8.098 4.154 ( -7.165 4.297 7.606) 11.298 5.286 ( -0.956 -8.187 6.694) 10.618 5.425 ( -3.139 1.411 4.188) 5.420 5.510 ( -1.448 4.232 4.114) 6.077 5.698 ( -0.765 7.610 1.357) 7.768 7.070 ( 1.180 2.365 6.134) 6.679 7.149 ( 1.003 4.595 -12.515) 13.370 7.517 ( -8.972 -5.250 6.712) 12.373 7.987 ( 5.544 4.105 5.016) 8.529 8.470 ( 2.124 11.024 12.655) 16.917 9.132 ( -9.610 -8.775 3.606) 13.504 9.528 ( -12.890 4.118 -5.989) 14.798 10.238 ( -7.831 1.258 18.333) 19.975 10.629 ( 0.313 5.203 -7.587) 9.205 11.266 ( -5.104 8.434 0.817) 9.892 11.622 ( -1.905 10.939 4.707) 12.060 12.342 ( -10.559 0.680 -22.071) 24.476 13.642 ( 2.879 -5.587 8.708) 10.740 14.519 ( 15.031 -4.114 -7.322) 17.219 15.040 ( 0.521 -2.946 7.585) 8.154 15.188 ( -3.980 -1.794 -7.059) 8.300 17.573 ( -2.508 -1.001 -12.781) 13.063 18.555 ( 24.315 0.664 6.568) 25.195 18.919 ( 9.690 -7.531 2.281) 12.483 19.435 ( 15.998 6.897 1.876) 17.522 21.397 ( 2.783 -3.951 20.067) 20.641 21.597 ( -25.571 -9.441 -28.137) 39.175 23.853 ( -6.054 4.160 -4.742) 8.744 24.020 ( 1.815 2.128 -0.024) 2.797 ======================= Grid point 297 (149/230) ======================= q-point: (-0.20 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -8.297 5.748 18.811) 21.348 2.083 ( -14.740 4.679 18.538) 24.142 2.986 ( -11.843 8.303 1.450) 14.537 3.204 ( 2.821 3.758 -6.852) 8.308 3.217 ( 9.129 -2.460 4.761) 10.586 3.763 ( 2.733 0.125 5.210) 5.885 3.992 ( -5.344 5.533 0.412) 7.703 4.197 ( 2.207 -2.754 9.354) 9.998 5.250 ( -4.429 -7.792 3.102) 9.484 5.346 ( -5.884 0.247 3.178) 6.692 5.512 ( 0.892 2.827 5.907) 6.609 5.697 ( 0.543 6.247 2.410) 6.718 6.900 ( -19.421 -4.570 2.389) 20.094 7.141 ( 1.833 5.208 -16.539) 17.436 7.430 ( -0.794 4.067 11.686) 12.399 8.124 ( 6.663 2.761 2.913) 7.779 8.563 ( 2.612 12.521 13.684) 18.731 8.966 ( -6.719 -6.718 3.902) 10.271 9.256 ( -12.359 5.593 -4.220) 14.206 10.160 ( -3.871 -1.075 15.885) 16.386 10.599 ( -1.793 2.749 -5.487) 6.394 11.153 ( -6.126 6.181 -0.737) 8.733 11.622 ( 0.750 10.082 1.272) 10.190 12.145 ( -4.292 4.288 -18.201) 19.186 13.733 ( 4.249 -5.499 8.931) 11.316 14.763 ( 10.281 -3.285 -3.597) 11.377 15.024 ( -1.895 -5.855 -4.418) 7.575 15.121 ( -1.533 0.034 -2.594) 3.013 17.589 ( 6.532 -6.904 -8.814) 12.962 19.039 ( 19.981 -12.590 5.054) 24.151 19.109 ( 9.924 -2.454 -1.723) 10.367 19.771 ( 14.993 4.749 2.895) 15.992 20.846 ( -28.964 -7.115 -25.807) 39.440 21.576 ( -0.784 -0.125 22.843) 22.857 23.747 ( -3.217 8.249 -3.769) 9.623 24.038 ( 0.182 3.899 -0.716) 3.968 ======================= Grid point 298 (150/230) ======================= q-point: (-0.10 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -4.124 7.699 20.877) 22.630 1.919 ( -7.113 12.529 22.285) 26.537 2.844 ( -2.167 5.544 2.588) 6.491 3.217 ( 2.916 6.372 -10.138) 12.324 3.467 ( 11.887 -2.673 6.081) 13.617 3.734 ( -6.906 5.326 23.672) 25.227 3.984 ( 3.953 0.073 -8.973) 9.805 4.221 ( -1.511 -1.881 11.569) 11.818 5.147 ( -5.488 -4.063 1.746) 7.048 5.217 ( -7.821 0.170 1.737) 8.014 5.562 ( 2.257 0.103 6.077) 6.484 5.733 ( 2.475 4.150 2.143) 5.286 6.487 ( -20.404 -2.291 7.800) 21.964 7.149 ( 2.911 6.019 -16.703) 17.991 7.466 ( 0.530 7.777 12.183) 14.463 8.208 ( -0.145 1.234 2.167) 2.498 8.560 ( -5.805 13.359 8.189) 16.710 8.898 ( -1.349 -3.845 -3.280) 5.231 9.169 ( 6.053 4.419 8.508) 11.338 10.177 ( 2.789 -2.425 10.564) 11.192 10.534 ( -3.853 -1.498 -3.858) 5.654 11.017 ( -6.677 10.569 -6.975) 14.315 11.664 ( 3.958 4.440 -2.753) 6.554 12.089 ( 1.716 6.894 -12.992) 14.808 13.846 ( 5.246 -5.090 8.592) 11.281 14.820 ( -3.661 -1.883 -2.400) 4.766 15.057 ( 6.160 -6.066 -6.209) 10.644 15.090 ( -0.295 -1.742 -5.484) 5.762 17.763 ( 11.260 -15.681 -1.910) 19.399 18.948 ( -26.593 -16.547 -11.842) 33.484 19.428 ( 12.000 -1.530 0.886) 12.130 19.730 ( -10.708 -1.411 -5.073) 11.933 20.851 ( 33.179 1.476 1.432) 33.243 21.497 ( -12.442 0.285 17.050) 21.109 23.725 ( 1.827 12.134 -1.673) 12.384 24.024 ( -1.297 4.999 -2.087) 5.570 ======================= Grid point 299 (151/230) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 1.506 16.350 15.472) 22.561 2.208 ( 0.862 16.732 19.468) 25.685 2.959 ( 1.872 4.565 0.168) 4.937 3.386 ( 3.734 -0.468 -6.336) 7.369 3.621 ( 3.540 3.383 -1.140) 5.028 3.840 ( -6.488 10.731 17.289) 21.358 4.073 ( 6.982 2.230 0.054) 7.330 4.193 ( 2.934 -4.273 18.584) 19.293 4.972 ( -4.027 -5.882 -4.166) 8.256 5.101 ( -5.699 3.021 0.849) 6.506 5.543 ( -0.198 -5.146 4.709) 6.979 5.842 ( 2.764 0.553 -0.696) 2.904 6.283 ( -5.622 4.760 11.484) 13.644 7.358 ( 3.790 10.967 -14.415) 18.505 7.742 ( 1.415 12.217 12.862) 17.795 8.270 ( -2.531 10.648 4.574) 11.861 8.646 ( -12.064 10.169 4.547) 16.420 8.930 ( 9.515 -1.209 1.078) 9.652 9.481 ( 11.870 4.059 6.111) 13.954 10.149 ( -11.602 -8.585 -6.467) 15.816 10.440 ( 12.370 3.357 10.066) 16.297 11.117 ( 2.752 1.766 -9.626) 10.166 11.950 ( 1.229 18.313 -7.763) 19.929 12.283 ( 3.920 8.729 -8.988) 13.128 13.829 ( 5.742 -9.303 7.934) 13.508 14.591 ( -8.326 -8.110 -8.131) 14.184 14.984 ( 1.249 -7.596 -9.771) 12.440 15.033 ( 3.725 -4.668 -1.593) 6.181 17.192 ( -20.259 -26.190 19.102) 38.226 18.251 ( -4.934 -9.028 -17.732) 20.500 19.471 ( -2.834 -2.064 2.064) 4.068 19.693 ( 3.231 0.638 -4.909) 5.911 21.196 ( -19.257 1.977 9.238) 21.450 21.517 ( 32.660 -6.985 0.186) 33.399 24.050 ( 4.704 8.813 -2.159) 10.221 24.132 ( -2.292 9.518 -3.400) 10.364 ======================= Grid point 300 (152/230) ======================= q-point: ( 0.10 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 0.028 14.873 15.158) 21.236 2.338 ( 7.928 14.830 15.137) 22.626 3.037 ( 4.998 1.189 -2.050) 5.531 3.422 ( 2.125 -2.444 -9.482) 10.020 3.617 ( -3.124 1.820 -2.450) 4.368 3.747 ( -5.211 5.222 4.404) 8.592 4.193 ( 4.423 6.522 22.244) 23.599 4.386 ( 8.531 -6.566 13.805) 17.506 4.830 ( -8.030 -2.020 -7.433) 11.126 5.020 ( -2.570 3.748 -0.022) 4.544 5.564 ( 1.313 -5.004 3.892) 6.474 5.921 ( 5.158 -0.969 -1.843) 5.562 6.260 ( -0.060 6.170 10.025) 11.771 7.406 ( 4.329 9.989 -11.786) 16.044 7.772 ( -1.767 11.636 11.485) 16.445 8.242 ( -1.568 15.980 4.814) 16.763 8.471 ( -6.227 11.652 5.287) 14.230 9.124 ( 9.128 -3.366 4.682) 10.796 9.647 ( -1.296 0.258 2.669) 2.978 9.947 ( -0.949 -8.493 -6.052) 10.472 10.814 ( 21.574 6.984 8.627) 24.262 11.183 ( 6.614 4.288 -14.416) 16.430 11.870 ( -6.970 13.480 -9.765) 18.046 12.436 ( 13.088 8.785 -8.325) 17.826 13.940 ( 3.030 -10.915 7.713) 13.704 14.388 ( -10.351 -10.230 -10.011) 17.664 14.909 ( -3.896 -1.011 -7.560) 8.565 15.152 ( 6.191 -9.496 -1.920) 11.497 16.775 ( -21.748 -12.755 21.313) 33.014 18.324 ( 11.761 -16.281 -6.363) 21.069 19.380 ( -6.824 -1.900 -0.060) 7.084 19.690 ( -2.534 1.195 -2.854) 4.000 20.774 ( -23.927 6.316 5.462) 25.342 22.145 ( 30.231 -14.478 -5.286) 33.933 24.010 ( -6.762 6.875 -3.533) 10.270 24.157 ( 3.875 9.125 -3.003) 10.359 ======================= Grid point 301 (153/230) ======================= q-point: ( 0.20 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 4.276 10.549 13.651) 17.774 2.549 ( 9.575 9.611 13.279) 18.984 3.106 ( 2.251 1.182 -5.111) 5.709 3.428 ( -0.203 -0.608 -10.554) 10.574 3.516 ( -4.896 -3.185 -2.681) 6.426 3.674 ( -1.495 1.216 -5.606) 5.928 4.302 ( -4.536 -3.001 10.720) 12.021 4.437 ( -3.252 -1.784 17.309) 17.702 4.748 ( 1.605 -0.680 -0.225) 1.757 5.043 ( 6.626 7.186 1.807) 9.941 5.605 ( 1.680 -2.762 3.791) 4.982 6.003 ( 3.072 -0.346 -2.872) 4.220 6.312 ( 3.010 5.965 8.967) 11.182 7.469 ( 3.969 8.795 -6.154) 11.444 7.718 ( -5.409 8.544 6.268) 11.897 8.223 ( -2.390 18.715 7.350) 20.249 8.438 ( 1.081 14.942 7.844) 16.910 9.260 ( -1.053 -10.959 6.021) 12.548 9.511 ( -1.419 -4.217 -2.927) 5.326 10.103 ( 12.008 0.276 -0.395) 12.018 11.205 ( 11.935 15.340 -1.278) 19.478 11.316 ( 10.345 0.890 -6.564) 12.284 11.693 ( -4.870 10.527 -12.572) 17.105 12.706 ( 15.680 8.765 -9.066) 20.122 13.949 ( -4.890 -12.036 9.511) 16.101 14.139 ( -12.450 -11.779 -10.676) 20.192 14.832 ( -1.942 1.318 -4.361) 4.953 15.250 ( 4.060 -9.074 -1.295) 10.025 16.568 ( -3.178 -3.413 17.122) 17.746 18.563 ( 11.165 -21.362 -0.803) 24.117 19.198 ( -11.684 -1.089 -2.096) 11.921 19.620 ( -2.653 0.698 0.186) 2.749 20.334 ( -21.323 11.507 5.081) 24.757 22.643 ( 22.315 -16.645 -10.467) 29.741 23.830 ( -10.247 4.925 -4.138) 12.099 24.208 ( 1.898 6.080 -2.928) 7.010 ======================= Grid point 302 (154/230) ======================= q-point: ( 0.30 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 9.121 4.293 11.092) 14.989 2.749 ( 7.209 3.679 10.314) 13.110 3.095 ( -1.375 2.014 -7.994) 8.358 3.313 ( -7.007 6.779 -6.150) 11.527 3.463 ( -2.334 -6.325 -5.429) 8.656 3.687 ( 5.121 -5.889 -11.261) 13.701 4.045 ( -16.759 -10.681 1.704) 19.946 4.395 ( -7.445 -1.835 4.180) 8.733 4.878 ( 9.745 3.435 13.203) 16.766 5.253 ( 11.722 7.683 5.968) 15.234 5.639 ( 0.778 0.125 3.628) 3.712 6.012 ( -1.686 1.822 -1.780) 3.055 6.422 ( 6.181 5.985 8.388) 12.016 7.512 ( 0.155 6.792 5.051) 8.465 7.622 ( -4.275 7.061 -2.376) 8.589 8.172 ( -4.516 16.140 8.617) 18.846 8.523 ( 4.315 17.306 9.870) 20.385 9.123 ( -7.124 -15.740 -3.377) 17.604 9.662 ( 10.643 -0.226 7.474) 13.007 10.336 ( 11.513 1.291 -0.792) 11.612 11.192 ( -10.667 -1.898 -10.546) 15.120 11.410 ( 4.471 26.747 -2.652) 27.247 11.811 ( 13.417 4.178 -5.731) 15.176 12.977 ( 13.851 7.867 -12.813) 20.443 13.794 ( -12.813 -9.041 13.586) 20.748 13.878 ( -10.630 -12.970 -11.114) 20.118 14.818 ( 0.719 1.208 0.406) 1.463 15.301 ( 1.500 -8.522 -1.478) 8.779 16.718 ( 14.322 0.438 9.063) 16.955 18.682 ( 0.076 -14.812 -3.159) 15.145 18.930 ( -13.364 -1.290 -1.831) 13.551 19.593 ( -4.468 0.235 0.162) 4.477 20.045 ( -5.649 9.837 12.425) 16.824 22.942 ( 10.134 -14.082 -18.544) 25.395 23.628 ( -7.825 0.137 -0.385) 7.836 24.218 ( -0.155 3.440 -3.373) 4.821 ======================= Grid point 303 (155/230) ======================= q-point: ( 0.40 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 10.856 -1.747 7.293) 13.194 2.819 ( -2.900 -0.161 2.898) 4.103 3.019 ( -4.346 0.513 -9.940) 10.860 3.227 ( -1.407 5.420 2.126) 5.989 3.356 ( -5.243 -0.306 -8.743) 10.199 3.722 ( -8.105 -9.754 -0.612) 12.697 3.836 ( 4.806 -12.082 -5.184) 13.998 4.208 ( -10.451 -3.449 -3.877) 11.669 5.118 ( 10.210 5.421 13.475) 17.754 5.474 ( 8.452 6.761 7.322) 13.068 5.648 ( -0.802 3.046 3.102) 4.421 5.939 ( -5.049 3.915 0.110) 6.390 6.593 ( 9.279 6.500 8.360) 14.080 7.495 ( -4.099 2.260 8.885) 10.043 7.545 ( -2.244 8.072 -3.774) 9.189 8.103 ( -4.380 12.813 9.618) 16.609 8.614 ( 2.443 12.553 7.333) 14.742 9.046 ( -0.065 -10.802 -2.833) 11.167 9.862 ( 6.542 1.518 7.896) 10.365 10.538 ( 9.272 1.554 -2.706) 9.783 10.913 ( -13.947 1.405 -2.633) 14.263 11.507 ( 6.066 24.619 -6.607) 26.202 11.985 ( 3.960 4.736 -0.836) 6.230 13.110 ( 0.515 4.486 -19.997) 20.501 13.601 ( -8.112 -6.769 10.826) 15.127 13.711 ( -2.205 -11.236 -2.771) 11.781 14.849 ( 1.741 0.260 3.846) 4.230 15.302 ( -0.965 -7.827 -2.016) 8.140 17.123 ( 24.510 2.973 3.101) 24.884 18.472 ( -16.939 -1.797 -7.584) 18.646 18.827 ( 1.864 -2.159 -0.006) 2.852 19.347 ( -16.802 6.202 -2.062) 18.028 20.228 ( 15.395 -3.563 21.756) 26.889 22.872 ( -11.100 -9.198 -26.853) 30.477 23.616 ( 5.659 -6.047 4.135) 9.257 24.187 ( -2.035 1.661 -4.289) 5.029 ======================= Grid point 304 (156/230) ======================= q-point: (-0.50 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( -11.406 0.878 0.435) 11.448 2.741 ( 2.038 -3.455 -0.054) 4.012 2.965 ( -1.990 -0.079 -8.045) 8.288 3.044 ( -8.155 -8.376 4.927) 12.686 3.399 ( 5.382 5.959 -5.788) 9.899 3.613 ( -1.293 -6.105 6.018) 8.670 3.980 ( 8.734 -12.672 -5.142) 16.226 3.999 ( -8.983 -0.836 -6.809) 11.303 5.305 ( 5.182 5.885 10.425) 13.045 5.558 ( -3.244 4.044 6.916) 8.643 5.646 ( 0.949 6.668 4.223) 7.949 5.855 ( -2.528 5.182 0.843) 5.827 6.814 ( 10.981 6.877 8.633) 15.569 7.396 ( -5.100 5.631 -5.442) 9.345 7.524 ( -1.854 -0.573 9.909) 10.097 8.054 ( -2.794 10.121 9.998) 14.499 8.652 ( 0.299 6.754 3.605) 7.662 9.069 ( 1.699 -4.200 -0.686) 4.582 9.917 ( -2.648 1.169 4.321) 5.201 10.631 ( -4.410 3.260 -4.162) 6.885 10.719 ( -0.817 5.229 5.768) 7.828 11.602 ( 4.289 20.401 -6.475) 21.830 11.974 ( -3.928 7.631 3.676) 9.337 12.915 ( -12.315 -0.372 -19.016) 22.658 13.491 ( -5.199 -6.506 7.322) 11.089 13.836 ( 12.467 -8.072 -2.289) 15.027 14.900 ( 2.232 -0.621 5.139) 5.637 15.260 ( -2.561 -6.643 -2.550) 7.563 17.646 ( 27.449 5.158 0.471) 27.933 18.118 ( -15.922 1.630 -10.565) 19.178 18.874 ( -3.740 6.104 2.190) 7.486 19.080 ( -2.680 0.178 -1.508) 3.081 20.627 ( 18.443 -6.924 25.865) 32.513 22.477 ( -21.089 -10.860 -28.973) 37.445 23.778 ( 8.538 -4.838 2.782) 10.200 24.120 ( -3.491 0.963 -5.633) 6.697 ======================= Grid point 305 (157/230) ======================= q-point: (-0.40 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -15.217 3.989 0.737) 15.748 2.626 ( -14.751 -4.119 9.688) 18.122 2.848 ( 2.133 -3.340 -3.810) 5.497 3.157 ( 7.689 -3.326 0.912) 8.427 3.412 ( -1.024 -1.855 -6.749) 7.074 3.673 ( 1.531 3.296 3.925) 5.349 3.873 ( 0.337 -1.188 -6.990) 7.098 4.130 ( 6.847 -8.782 -0.082) 11.136 5.308 ( -7.364 4.132 7.785) 11.485 5.504 ( -1.722 3.468 6.848) 7.867 5.650 ( -1.849 6.319 5.177) 8.376 5.843 ( 0.140 5.767 0.499) 5.790 7.038 ( 8.705 6.172 8.205) 13.461 7.301 ( -2.456 6.060 -9.421) 11.468 7.484 ( -5.090 -6.159 11.261) 13.807 8.050 ( 0.262 8.361 9.509) 12.665 8.657 ( 0.218 6.290 1.639) 6.503 9.077 ( -1.332 -1.944 0.012) 2.357 9.802 ( -9.001 1.344 3.153) 9.631 10.480 ( -9.423 6.984 11.696) 16.564 10.749 ( 0.521 4.964 -4.834) 6.948 11.572 ( -6.527 8.540 -8.191) 13.514 11.948 ( 1.162 18.942 8.942) 20.979 12.624 ( -12.118 0.758 -17.096) 20.969 13.445 ( -1.148 -8.662 6.733) 11.031 14.103 ( 14.936 -8.567 -4.950) 17.916 14.950 ( 1.279 -2.248 4.924) 5.562 15.199 ( -2.757 -4.717 -3.308) 6.387 17.797 ( -11.945 3.190 -12.744) 17.756 18.179 ( 23.633 6.601 0.077) 24.538 18.711 ( -5.895 -3.925 2.851) 7.634 19.258 ( 14.611 4.986 1.252) 15.489 21.036 ( 16.279 -5.697 27.659) 32.596 21.939 ( -26.499 -13.377 -30.475) 42.542 23.928 ( 5.167 -1.415 1.255) 5.503 24.040 ( -2.086 1.615 -6.456) 6.974 ======================= Grid point 306 (158/230) ======================= q-point: (-0.30 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -11.482 6.680 8.446) 15.742 2.373 ( -13.001 1.909 14.651) 19.680 2.953 ( 8.039 -3.164 1.843) 8.834 3.260 ( 3.713 2.025 -3.942) 5.782 3.345 ( -5.924 1.707 -1.089) 6.261 3.668 ( 1.790 2.381 -5.698) 6.430 3.971 ( 7.156 -4.689 -1.744) 8.731 4.224 ( 1.360 0.601 6.428) 6.597 5.159 ( -7.465 -2.628 5.808) 9.817 5.468 ( -4.408 2.455 5.178) 7.230 5.613 ( -2.987 5.072 5.800) 8.264 5.838 ( -0.804 5.747 0.120) 5.804 7.081 ( -9.257 -3.457 5.474) 11.297 7.263 ( 1.233 6.314 -13.225) 14.706 7.449 ( 1.436 1.080 14.219) 14.332 8.116 ( 4.309 7.799 8.341) 12.205 8.695 ( 3.710 6.722 2.492) 8.072 9.004 ( -6.256 -0.476 0.526) 6.296 9.603 ( -12.006 3.123 3.610) 12.920 10.328 ( -9.156 7.361 16.426) 20.195 10.707 ( -3.181 2.732 -6.948) 8.115 11.377 ( -9.778 1.944 -6.038) 11.655 12.002 ( 0.666 23.648 5.628) 24.318 12.392 ( -6.941 5.112 -14.820) 17.145 13.476 ( 2.511 -10.381 7.065) 12.805 14.381 ( 14.619 -9.770 -6.726) 18.826 14.955 ( -2.114 -5.010 3.190) 6.304 15.147 ( -1.532 -1.972 -4.030) 4.741 17.567 ( -8.469 0.996 -10.278) 13.355 18.499 ( 8.673 -7.760 1.816) 11.779 18.817 ( 16.212 -0.574 -0.305) 16.225 19.575 ( 16.264 6.105 2.507) 17.552 21.266 ( -19.830 -8.285 -12.209) 24.718 21.416 ( 0.792 -6.958 10.096) 12.287 23.922 ( -2.055 2.387 -5.807) 6.606 24.082 ( 4.455 3.246 -0.827) 5.574 ======================= Grid point 307 (159/230) ======================= q-point: (-0.20 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -3.815 12.401 16.762) 21.197 2.205 ( -7.699 6.863 18.336) 21.038 3.140 ( 7.562 -3.465 5.694) 10.080 3.181 ( -8.127 8.206 -0.002) 11.549 3.334 ( 6.407 8.799 -8.379) 13.736 3.730 ( 4.320 -3.752 0.210) 5.725 4.077 ( 3.509 -2.409 -3.984) 5.830 4.201 ( -5.521 7.418 14.726) 17.388 5.076 ( -2.237 -8.119 1.605) 8.573 5.356 ( -7.604 0.637 3.475) 8.384 5.569 ( -2.811 1.899 6.836) 7.631 5.820 ( -0.713 5.127 -0.412) 5.193 6.783 ( -19.236 -6.030 7.339) 21.453 7.278 ( 3.564 7.977 -15.290) 17.610 7.559 ( 4.508 7.965 13.902) 16.644 8.239 ( 5.445 7.962 6.561) 11.665 8.801 ( 3.333 -1.993 5.965) 7.117 8.868 ( -4.477 8.703 1.385) 9.884 9.364 ( -12.129 4.608 2.037) 13.133 10.221 ( -5.184 6.978 16.678) 18.807 10.597 ( -6.279 -1.848 -7.388) 9.870 11.206 ( -6.073 -1.036 -3.283) 6.981 11.970 ( -2.913 20.659 -5.279) 21.521 12.299 ( -0.673 11.822 -8.178) 14.390 13.568 ( 4.924 -10.450 7.712) 13.889 14.634 ( 12.847 -10.420 -7.236) 18.055 14.883 ( -5.215 -6.720 -0.956) 8.560 15.113 ( -1.274 -0.713 -4.057) 4.311 17.427 ( -4.216 -7.724 -2.743) 9.217 18.642 ( 5.303 -21.038 -4.068) 22.074 19.162 ( 17.247 3.766 -2.246) 17.796 19.819 ( 3.886 -0.310 -2.208) 4.480 20.753 ( -13.523 -1.016 -14.105) 19.567 21.558 ( 0.580 -1.469 21.390) 21.448 23.898 ( 1.450 5.760 -5.614) 8.173 24.148 ( 2.349 5.994 -0.942) 6.506 ======================= Grid point 308 (160/230) ======================= q-point: (-0.10 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -0.074 17.160 16.840) 24.042 2.168 ( -1.559 11.094 22.340) 24.992 3.003 ( -6.437 9.332 -0.057) 11.337 3.302 ( 5.813 -2.124 -0.068) 6.189 3.489 ( 9.697 8.490 -4.117) 13.530 3.828 ( 3.738 0.329 13.744) 14.248 4.041 ( -4.219 7.203 -4.454) 9.461 4.164 ( -1.722 -2.450 15.257) 15.548 5.038 ( -2.514 -6.420 -1.099) 6.982 5.218 ( -6.683 -0.070 2.120) 7.012 5.545 ( -1.223 -2.393 6.161) 6.722 5.815 ( 0.458 3.111 -0.764) 3.236 6.456 ( -14.903 -0.219 10.841) 18.430 7.318 ( 3.995 10.217 -15.480) 18.973 7.666 ( 3.145 10.693 13.086) 17.190 8.305 ( -0.802 7.956 4.898) 9.377 8.791 ( 2.763 -2.012 1.361) 3.679 8.859 ( -7.958 9.859 7.499) 14.723 9.266 ( 5.484 4.667 2.097) 7.500 10.218 ( 1.133 6.395 13.709) 15.170 10.431 ( -8.503 -7.094 -6.610) 12.896 11.124 ( -1.696 -1.182 -4.273) 4.746 11.927 ( 1.072 19.632 -9.078) 21.655 12.280 ( -0.043 12.030 -7.177) 14.008 13.694 ( 5.899 -9.523 8.068) 13.806 14.754 ( -6.922 -5.801 -3.557) 9.706 14.846 ( 10.338 -12.477 -8.434) 18.267 15.070 ( -2.112 -0.720 -4.587) 5.101 17.369 ( -3.931 -20.369 8.148) 22.288 18.554 ( -13.481 -19.452 -17.665) 29.532 19.435 ( 9.242 1.583 -1.407) 9.482 19.688 ( -6.501 -2.494 -5.356) 8.785 20.898 ( 24.297 2.933 3.031) 24.660 21.498 ( -11.006 -0.132 14.690) 18.356 23.953 ( 4.972 8.778 -3.753) 10.764 24.166 ( -0.193 8.016 -1.844) 8.228 ======================= Grid point 309 (161/230) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 0.026 11.448 14.485) 18.462 2.571 ( 3.717 18.332 16.948) 25.241 3.077 ( -3.003 6.115 0.408) 6.824 3.294 ( 2.128 -5.539 0.726) 5.979 3.679 ( 0.152 -2.758 3.229) 4.249 3.997 ( -1.594 1.148 3.743) 4.227 4.140 ( 8.400 6.237 -5.972) 12.046 4.238 ( -0.541 11.293 22.588) 25.260 4.852 ( -3.795 -5.062 -5.612) 8.457 5.150 ( -1.919 1.563 0.133) 2.479 5.395 ( -1.385 -9.349 5.553) 10.962 5.824 ( 0.781 -2.010 -0.878) 2.328 6.395 ( -3.028 5.549 11.291) 12.940 7.599 ( 3.108 11.485 -15.560) 19.588 7.961 ( 1.771 9.598 13.263) 16.467 8.545 ( 2.148 14.130 8.720) 16.743 8.696 ( -4.358 -4.658 3.832) 7.441 9.010 ( 3.303 7.993 5.218) 10.101 9.547 ( 12.403 2.032 -0.073) 12.568 9.969 ( -16.058 -8.200 -8.436) 19.907 10.563 ( 11.715 7.694 13.640) 19.557 11.049 ( 3.796 -6.296 -0.917) 7.408 12.382 ( 0.489 20.928 -8.690) 22.666 12.495 ( 0.419 11.928 -5.962) 13.342 13.627 ( 5.806 -9.472 5.125) 12.235 14.340 ( -7.270 -16.931 -12.071) 22.028 14.772 ( 4.146 -8.452 -1.320) 9.506 15.011 ( -0.733 -0.368 -8.674) 8.713 16.745 ( -15.226 -16.763 19.665) 29.992 18.059 ( -3.340 -8.606 -24.041) 25.752 19.440 ( -3.730 -0.948 1.929) 4.304 19.700 ( 4.136 0.099 -6.711) 7.884 21.237 ( -15.428 1.892 7.950) 17.459 21.406 ( 22.811 -3.918 3.206) 23.367 24.191 ( 3.386 5.442 -0.949) 6.480 24.293 ( -1.596 5.415 -3.049) 6.416 ======================= Grid point 310 (162/230) ======================= q-point: ( 0.10 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 0.017 12.035 12.255) 17.176 2.660 ( 2.205 16.102 15.791) 22.660 3.077 ( 2.055 2.350 0.870) 3.240 3.302 ( -0.761 -6.477 -1.929) 6.801 3.657 ( -2.541 -2.165 -0.431) 3.366 3.867 ( -8.486 5.569 -2.161) 10.377 4.238 ( 0.173 -2.044 8.240) 8.492 4.402 ( 7.939 9.620 14.528) 19.148 4.745 ( -4.685 -4.124 -4.778) 7.861 5.113 ( -0.837 3.196 0.394) 3.327 5.438 ( 4.322 -6.930 3.690) 8.962 5.878 ( 4.594 -2.861 -0.750) 5.463 6.398 ( 0.356 6.603 10.287) 12.229 7.619 ( 3.072 9.822 -14.355) 17.663 7.983 ( -3.483 9.770 11.328) 15.359 8.589 ( -1.801 5.120 12.482) 13.611 8.637 ( 1.395 12.941 0.228) 13.018 9.124 ( 4.233 4.389 5.321) 8.093 9.580 ( -13.269 -5.496 -4.841) 15.156 9.860 ( 12.111 -1.219 -1.898) 12.319 10.936 ( 22.754 4.865 10.607) 25.572 11.153 ( 6.527 -4.927 -5.128) 9.653 12.241 ( -8.611 20.354 -9.124) 23.910 12.644 ( 11.973 10.459 -5.347) 16.773 13.717 ( 1.877 -9.938 5.403) 11.467 14.131 ( -10.803 -14.848 -12.694) 22.323 14.823 ( 1.114 -7.431 -3.695) 8.374 15.012 ( 2.861 -2.916 -5.557) 6.897 16.534 ( -9.881 -9.996 20.741) 25.055 18.035 ( 5.765 -11.238 -15.117) 19.699 19.351 ( -6.365 -0.990 0.357) 6.451 19.704 ( -2.105 0.263 -4.810) 5.257 20.894 ( -19.167 5.068 5.299) 20.521 21.893 ( 24.548 -9.736 -0.287) 26.410 24.140 ( -7.757 5.525 -2.666) 9.889 24.290 ( 1.396 3.985 -2.114) 4.722 ======================= Grid point 311 (163/230) ======================= q-point: ( 0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 0.713 12.033 10.391) 15.915 2.747 ( 3.009 10.217 14.479) 17.975 3.121 ( 1.210 0.338 0.236) 1.279 3.281 ( 0.152 -8.493 -4.477) 9.602 3.589 ( -3.667 1.001 -3.792) 5.369 3.700 ( -7.354 3.360 -3.877) 8.967 4.125 ( -12.260 -8.071 -3.719) 15.142 4.468 ( -4.983 -1.679 0.149) 5.260 4.761 ( 7.150 5.035 14.980) 17.345 5.184 ( 7.734 4.570 3.949) 9.813 5.551 ( 5.720 -2.092 2.967) 6.775 5.971 ( 4.216 -2.525 -0.623) 4.953 6.455 ( 3.297 7.272 8.951) 11.995 7.658 ( 3.453 8.919 -9.821) 13.708 7.878 ( -8.124 7.268 6.546) 12.715 8.564 ( -5.079 8.292 10.593) 14.379 8.693 ( 2.775 9.304 1.576) 9.836 9.103 ( -6.826 0.545 0.374) 6.858 9.460 ( 4.821 -1.072 3.992) 6.350 10.118 ( 13.147 0.620 -0.582) 13.174 11.226 ( 1.169 -4.893 -8.895) 10.219 11.439 ( 24.644 5.157 7.667) 26.319 12.066 ( -5.879 23.281 -10.378) 26.158 12.886 ( 13.207 7.133 -3.142) 15.336 13.718 ( -3.103 -9.841 5.382) 11.638 13.867 ( -13.090 -13.986 -11.955) 22.581 14.819 ( 0.058 -2.816 -2.982) 4.102 15.074 ( 3.763 -6.697 -3.174) 8.312 16.505 ( 3.187 -2.497 16.786) 17.267 18.186 ( 11.413 -14.712 -7.950) 20.246 19.177 ( -11.407 -0.874 -1.586) 11.550 19.628 ( -3.713 0.165 -1.391) 3.969 20.543 ( -17.629 8.591 5.128) 20.270 22.334 ( 20.692 -12.752 -4.547) 24.727 23.922 ( -13.157 3.744 -4.419) 14.375 24.297 ( -0.384 2.747 -1.810) 3.312 ======================= Grid point 312 (164/230) ======================= q-point: ( 0.30 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 2.917 8.475 8.863) 12.605 2.832 ( 2.281 5.216 9.506) 11.080 3.097 ( -3.170 -0.959 -2.471) 4.132 3.290 ( 0.520 -9.197 -5.262) 10.609 3.509 ( -2.766 9.652 -5.027) 11.229 3.581 ( -3.310 -6.063 -4.645) 8.324 3.808 ( -16.845 -9.290 -7.514) 20.652 4.300 ( -9.432 -7.213 -6.398) 13.488 4.998 ( 11.181 7.531 18.388) 22.801 5.386 ( 10.252 4.024 7.220) 13.169 5.660 ( 4.642 2.249 2.587) 5.770 6.018 ( 0.425 -1.011 0.290) 1.134 6.573 ( 6.799 8.098 7.846) 13.167 7.653 ( -5.291 6.677 7.282) 11.208 7.774 ( -0.926 7.324 -7.660) 10.638 8.443 ( -8.819 5.173 11.638) 15.491 8.638 ( -6.724 -5.503 -8.223) 11.963 9.093 ( 5.603 15.604 5.484) 17.463 9.664 ( 11.824 -0.092 8.280) 14.435 10.356 ( 11.270 0.696 -0.198) 11.293 11.130 ( -8.268 -3.947 -8.569) 12.544 11.871 ( 16.761 5.643 5.447) 18.505 11.989 ( 0.236 24.994 -10.000) 26.922 13.129 ( 11.938 4.639 -2.684) 13.086 13.571 ( -14.191 -14.069 -9.938) 22.318 13.631 ( -6.770 -7.725 5.912) 11.851 14.824 ( 0.891 -0.726 -0.402) 1.217 15.126 ( 2.022 -7.710 -2.585) 8.379 16.742 ( 17.462 1.815 9.762) 20.087 18.398 ( 10.512 -12.038 -5.251) 16.822 18.912 ( -13.970 -0.601 -2.553) 14.214 19.581 ( -1.867 -0.907 1.465) 2.541 20.247 ( -13.053 9.038 8.631) 18.071 22.654 ( 12.538 -12.815 -11.567) 21.336 23.640 ( -13.188 0.616 -2.420) 13.422 24.269 ( -1.862 1.668 -2.812) 3.763 ======================= Grid point 313 (165/230) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 3.963 1.794 5.940) 7.363 2.854 ( -1.969 3.742 2.341) 4.833 3.009 ( -4.494 -1.681 -2.559) 5.438 3.188 ( -10.827 -4.080 -8.898) 14.597 3.452 ( -3.848 -2.864 -4.001) 6.247 3.549 ( -2.340 -0.894 -9.922) 10.233 3.580 ( 2.944 -9.305 2.186) 10.002 4.110 ( -7.773 -6.330 -7.283) 12.391 5.248 ( 9.843 6.646 15.158) 19.257 5.577 ( 6.445 2.782 8.713) 11.190 5.740 ( 2.945 5.665 2.206) 6.755 5.990 ( -3.249 1.021 1.772) 3.839 6.754 ( 9.798 8.660 7.089) 14.875 7.546 ( -6.396 2.918 9.268) 11.633 7.720 ( -4.575 8.245 -6.260) 11.318 8.317 ( -6.917 3.881 14.821) 16.810 8.513 ( -1.829 -10.656 -13.587) 17.364 9.233 ( 5.650 19.795 5.136) 21.217 9.884 ( 7.122 -0.000 5.915) 9.258 10.556 ( 9.406 0.572 -1.410) 9.528 10.927 ( -9.532 -0.202 -0.177) 9.536 11.973 ( 0.190 14.334 -13.433) 19.646 12.119 ( 7.105 14.141 8.567) 17.995 13.197 ( -10.615 1.877 -12.010) 16.138 13.418 ( 7.054 -11.999 1.914) 14.049 13.499 ( -7.270 -6.449 5.222) 11.033 14.850 ( 1.588 -0.206 1.202) 2.002 15.141 ( 0.224 -7.127 -2.355) 7.509 17.201 ( 26.939 4.325 3.193) 27.470 18.422 ( -10.433 -2.941 -7.333) 13.087 18.790 ( 6.705 -1.319 -0.818) 6.883 19.449 ( -14.133 3.316 -1.475) 14.591 20.184 ( 5.232 -0.468 19.202) 19.907 22.661 ( -9.524 -10.369 -23.532) 27.422 23.517 ( 2.524 -3.532 5.142) 6.730 24.212 ( -2.987 0.852 -4.636) 5.580 ======================= Grid point 314 (166/230) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -2.542 -3.583 1.394) 4.609 2.766 ( -6.275 4.663 0.217) 7.821 2.867 ( -12.138 -6.544 -3.128) 14.140 2.999 ( 1.090 1.785 -5.088) 5.501 3.381 ( -2.146 -6.645 -1.652) 7.176 3.603 ( 7.156 2.112 -4.941) 8.949 3.685 ( 6.532 -11.110 -1.564) 12.982 3.976 ( -4.069 -2.948 -6.350) 8.098 5.431 ( 4.950 5.794 11.489) 13.786 5.638 ( -2.779 3.404 7.913) 9.052 5.785 ( 0.628 6.392 3.399) 7.267 5.934 ( -1.775 2.418 2.595) 3.966 6.975 ( 10.493 8.132 6.920) 14.971 7.453 ( -5.174 0.697 6.521) 8.353 7.576 ( -7.962 4.573 -3.655) 9.883 8.235 ( -4.978 5.958 14.727) 16.648 8.515 ( 4.149 -11.291 -10.366) 15.880 9.302 ( 0.540 18.312 -0.414) 18.325 9.928 ( -3.266 -0.536 3.800) 5.039 10.689 ( 2.652 2.147 -4.333) 5.515 10.815 ( -2.074 4.186 11.857) 12.744 11.880 ( -7.372 5.612 -11.222) 14.553 12.252 ( 5.903 19.576 7.680) 21.842 12.919 ( -12.643 0.305 -9.819) 16.011 13.358 ( -6.900 -5.859 4.104) 9.939 13.638 ( 11.812 -11.042 1.008) 16.201 14.884 ( 1.316 -1.007 1.397) 2.167 15.130 ( -0.542 -5.330 -2.376) 5.861 17.764 ( 28.924 5.914 -1.389) 29.555 18.141 ( -12.680 0.466 -9.743) 15.998 18.998 ( 0.783 5.473 0.562) 5.557 19.094 ( -8.508 1.243 -0.532) 8.615 20.477 ( 16.974 -7.139 25.659) 31.582 22.253 ( -23.184 -10.125 -27.127) 37.093 23.688 ( 10.935 -3.609 5.133) 12.608 24.133 ( -3.604 0.318 -6.884) 7.777 ======================= Grid point 315 (167/230) ======================= q-point: (-0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -11.862 1.526 0.379) 11.966 2.616 ( -9.641 3.001 7.229) 12.418 2.777 ( 2.878 -3.046 -2.648) 4.957 3.089 ( 6.973 -3.482 0.238) 7.798 3.359 ( 0.440 -1.933 -2.670) 3.325 3.745 ( 5.738 3.575 -0.435) 6.775 3.787 ( 4.496 -8.933 -11.649) 15.353 3.956 ( 4.838 -5.689 -0.212) 7.471 5.426 ( -9.310 6.427 7.690) 13.679 5.577 ( -2.866 2.837 7.862) 8.836 5.771 ( -2.857 5.349 4.793) 7.730 5.933 ( 0.064 2.823 1.809) 3.353 7.128 ( -0.622 0.959 6.295) 6.398 7.382 ( -1.755 1.214 3.807) 4.364 7.455 ( -1.239 5.378 -1.780) 5.799 8.205 ( -1.028 5.653 13.213) 14.408 8.591 ( 4.775 -7.673 -4.810) 10.238 9.258 ( -3.684 14.007 -5.827) 15.611 9.823 ( -8.156 0.381 8.185) 11.561 10.636 ( -6.465 7.390 8.462) 12.962 10.836 ( -0.682 3.885 1.652) 4.277 11.646 ( -13.231 0.175 -8.802) 15.892 12.400 ( 6.670 22.204 6.462) 24.068 12.687 ( -8.290 5.564 -8.703) 13.244 13.256 ( -4.155 -9.015 3.906) 10.667 13.874 ( 12.354 -13.726 -1.229) 18.507 14.895 ( -0.760 -2.918 1.198) 3.245 15.117 ( 0.011 -2.832 -3.235) 4.299 17.870 ( -9.605 3.610 -11.863) 15.685 18.321 ( 22.028 6.731 -5.032) 23.577 18.625 ( -16.133 -4.113 2.732) 16.872 19.361 ( 16.668 4.717 2.405) 17.488 20.902 ( 18.858 -6.892 28.075) 34.516 21.692 ( -26.791 -9.877 -27.037) 39.323 23.905 ( 8.930 -0.743 2.733) 9.368 24.055 ( -1.543 -0.065 -8.242) 8.385 ======================= Grid point 316 (168/230) ======================= q-point: (-0.30 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -5.181 8.271 8.579) 12.994 2.464 ( -7.703 6.478 9.775) 14.031 2.884 ( 7.112 -3.529 4.104) 8.937 3.239 ( 7.090 -6.654 2.078) 9.943 3.389 ( 3.830 5.593 -2.712) 7.301 3.720 ( -3.297 2.188 -9.445) 10.241 3.901 ( 6.981 -1.889 -5.435) 9.047 4.136 ( 10.758 -8.588 2.299) 13.956 5.198 ( -13.725 5.363 6.706) 16.190 5.511 ( -6.206 1.404 5.394) 8.342 5.697 ( -6.068 3.047 6.558) 9.440 5.924 ( -1.248 2.500 0.090) 2.795 6.956 ( -14.553 -6.571 7.530) 17.655 7.387 ( 2.769 4.949 -11.026) 12.400 7.564 ( 7.803 8.850 11.649) 16.581 8.265 ( 4.075 5.240 12.209) 13.897 8.660 ( 2.480 -5.651 -1.216) 6.290 9.162 ( -3.998 11.125 -5.519) 13.046 9.653 ( -11.538 1.621 10.188) 15.477 10.511 ( -8.185 9.267 12.619) 17.667 10.761 ( -6.677 3.091 -3.228) 8.035 11.363 ( -13.068 -2.891 -5.481) 14.462 12.433 ( -3.916 14.714 -7.226) 16.853 12.630 ( 2.862 20.407 2.407) 20.747 13.231 ( 1.202 -12.995 3.707) 13.567 14.110 ( 12.191 -16.572 -4.276) 21.013 14.857 ( -3.293 -4.039 1.207) 5.349 15.112 ( 0.254 -1.315 -5.000) 5.176 17.629 ( -13.814 5.204 -8.131) 16.853 18.272 ( -6.598 -12.898 -2.039) 14.631 18.863 ( 22.203 3.509 -3.944) 22.822 19.669 ( 12.859 2.912 1.646) 13.287 21.119 ( -23.428 -5.076 -20.835) 31.760 21.302 ( 13.385 -4.584 25.293) 28.982 23.961 ( 0.355 1.667 -7.315) 7.511 24.127 ( 7.341 1.007 -0.238) 7.414 ======================= Grid point 317 (169/230) ======================= q-point: (-0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 2.774 12.370 17.068) 21.261 2.369 ( -4.398 11.364 11.708) 16.898 3.048 ( 7.653 -4.509 7.603) 11.692 3.298 ( -2.456 -0.024 4.530) 5.153 3.545 ( 12.542 8.850 -3.609) 15.768 3.641 ( -1.492 -0.017 -7.539) 7.686 4.009 ( 5.118 -2.849 -4.175) 7.194 4.312 ( 4.482 -0.333 5.811) 7.347 4.978 ( -8.424 0.106 2.926) 8.919 5.368 ( -8.956 0.290 3.728) 9.706 5.574 ( -7.785 -1.227 7.728) 11.038 5.889 ( -2.108 1.403 -0.785) 2.651 6.684 ( -14.086 -3.282 9.338) 17.216 7.450 ( 6.463 8.007 -14.248) 17.575 7.736 ( 6.365 9.270 13.878) 17.862 8.405 ( 6.494 6.006 11.107) 14.199 8.664 ( -1.996 -6.297 1.422) 6.757 9.111 ( 0.153 10.451 -1.477) 10.556 9.432 ( -12.149 1.856 7.404) 14.348 10.404 ( -5.128 8.480 11.919) 15.500 10.573 ( -11.204 1.404 -4.545) 12.172 11.140 ( -8.504 -5.045 -0.871) 9.927 12.341 ( -1.861 15.482 -11.629) 19.452 12.661 ( -1.277 21.813 2.005) 21.942 13.323 ( 6.642 -12.748 4.130) 14.956 14.318 ( 10.137 -19.620 -7.739) 23.401 14.781 ( -4.446 -3.353 1.081) 5.673 15.095 ( -0.636 -0.911 -6.953) 7.041 17.309 ( -17.008 -3.489 3.200) 17.655 18.241 ( 2.604 -17.102 -12.924) 21.594 19.241 ( 17.184 3.655 -5.119) 18.299 19.778 ( -3.416 -2.900 -5.055) 6.755 20.786 ( -3.028 3.128 -6.073) 7.472 21.524 ( 2.677 -1.672 20.428) 20.670 23.987 ( 4.357 3.250 -6.476) 8.455 24.248 ( 4.751 3.377 -0.363) 5.841 ======================= Grid point 318 (170/230) ======================= q-point: (-0.10 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -1.697 9.584 15.270) 18.108 2.427 ( 6.105 18.926 17.858) 26.727 3.168 ( -2.398 1.671 5.416) 6.154 3.227 ( 1.064 0.461 0.566) 1.290 3.645 ( 1.962 -3.458 1.217) 4.158 3.811 ( 14.077 7.668 0.461) 16.036 4.076 ( 2.726 -1.385 -3.892) 4.949 4.301 ( -6.508 10.585 13.112) 18.064 4.903 ( -0.871 -5.603 -3.409) 6.616 5.216 ( -6.221 -0.081 2.644) 6.760 5.454 ( -5.772 -6.214 7.228) 11.144 5.844 ( -2.011 -0.249 -0.923) 2.227 6.481 ( -8.715 2.217 10.862) 14.102 7.547 ( 6.177 11.242 -15.419) 20.057 7.872 ( 4.095 9.333 14.017) 17.330 8.507 ( 0.833 10.586 6.380) 12.388 8.665 ( 3.199 -8.148 6.558) 10.937 9.073 ( -7.629 8.509 6.615) 13.205 9.343 ( 5.802 2.431 -0.784) 6.339 10.287 ( -13.078 -6.112 -9.417) 17.235 10.413 ( 0.121 11.588 15.392) 19.267 11.033 ( -2.447 -6.523 1.214) 7.071 12.326 ( 3.266 17.587 -11.454) 21.240 12.594 ( -5.136 17.850 -1.879) 18.669 13.480 ( 7.707 -10.328 4.664) 13.705 14.432 ( 2.184 -21.604 -11.241) 24.451 14.721 ( -0.514 -2.882 0.998) 3.093 15.056 ( -1.386 -0.673 -8.517) 8.655 17.008 ( -15.739 -13.826 13.206) 24.765 18.206 ( -3.037 -13.773 -24.413) 28.194 19.477 ( 4.943 2.379 -2.745) 6.134 19.634 ( -2.161 -2.599 -5.805) 6.718 20.960 ( 17.499 2.781 4.296) 18.232 21.494 ( -9.351 -0.244 12.861) 15.903 24.089 ( 6.492 4.874 -3.436) 8.815 24.306 ( 1.294 4.983 -1.385) 5.331 ======================= Grid point 319 (171/230) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 1.489 4.463 13.339) 14.144 2.899 ( 0.513 10.696 12.368) 16.360 3.157 ( -2.552 1.551 5.638) 6.380 3.247 ( 1.653 1.964 1.751) 3.108 3.504 ( -0.730 -10.655 11.226) 15.495 4.000 ( -0.274 -0.097 -0.009) 0.291 4.300 ( 3.359 7.229 -6.743) 10.441 4.439 ( 4.094 3.345 7.146) 8.889 4.830 ( -2.721 4.615 -0.236) 5.362 5.143 ( -7.116 -5.674 3.354) 9.699 5.201 ( 3.295 -4.587 2.514) 6.182 5.783 ( -0.356 -1.407 0.650) 1.590 6.482 ( -1.640 2.372 11.183) 11.548 7.772 ( 1.656 4.380 -15.287) 15.988 8.167 ( 3.851 10.048 10.085) 14.748 8.515 ( -4.144 -9.478 12.733) 16.405 8.792 ( 7.846 6.649 2.223) 10.521 9.160 ( 2.249 5.093 9.228) 10.778 9.559 ( 13.274 -0.502 -3.838) 13.827 9.842 ( -18.342 -3.565 -7.753) 20.230 10.720 ( 6.302 6.799 11.473) 14.750 10.910 ( 5.303 -6.356 6.316) 10.412 12.700 ( 4.688 9.401 -4.315) 11.356 12.741 ( -5.863 8.117 -2.161) 10.243 13.503 ( 5.085 -1.000 -1.355) 5.357 13.964 ( -2.677 -15.632 -13.846) 21.053 14.668 ( 0.615 -2.196 0.344) 2.307 15.004 ( -0.443 -0.250 -10.885) 10.897 16.516 ( -13.406 -5.569 18.486) 23.505 17.932 ( -1.733 -3.351 -27.634) 27.891 19.429 ( -4.208 -0.224 1.786) 4.577 19.700 ( 4.337 -0.038 -7.608) 8.757 21.269 ( -14.349 1.039 7.005) 16.002 21.351 ( 18.622 -1.504 5.042) 19.351 24.272 ( 4.313 2.171 -0.788) 4.892 24.358 ( -2.853 1.264 -1.804) 3.604 ======================= Grid point 320 (172/230) ======================= q-point: ( 0.10 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 1.176 5.357 10.474) 11.823 2.929 ( -0.483 6.950 13.506) 15.197 3.117 ( -1.057 1.191 0.471) 1.660 3.253 ( -2.389 4.984 3.993) 6.818 3.485 ( -3.596 -12.558 9.747) 16.299 3.950 ( -4.473 2.191 -2.272) 5.475 4.254 ( -5.277 1.930 -7.320) 9.228 4.528 ( -0.975 0.282 -2.768) 2.948 4.798 ( 1.557 11.074 9.922) 14.950 5.056 ( -1.138 -9.657 7.273) 12.143 5.347 ( 9.923 -1.016 -0.721) 10.000 5.825 ( 4.160 -1.752 0.557) 4.548 6.501 ( 0.970 2.869 10.537) 10.964 7.766 ( 2.303 3.840 -15.573) 16.203 8.198 ( -6.443 11.154 11.328) 17.154 8.465 ( 0.626 -10.381 7.164) 12.628 8.918 ( 2.800 8.172 1.781) 8.820 9.263 ( 3.600 6.667 8.907) 11.694 9.476 ( -14.584 -4.179 -4.149) 15.728 9.840 ( 15.051 -0.895 -3.515) 15.482 11.008 ( 20.287 2.101 9.847) 22.648 11.055 ( 7.306 -3.393 1.434) 8.182 12.625 ( -5.007 14.660 -3.061) 15.791 12.797 ( 5.669 2.598 -1.755) 6.478 13.568 ( 1.793 -3.870 -1.841) 4.646 13.830 ( -7.129 -11.277 -14.264) 19.531 14.699 ( 2.282 -3.299 -0.256) 4.020 14.984 ( 0.897 -0.545 -9.235) 9.294 16.390 ( -3.814 -3.669 19.758) 20.454 17.879 ( 3.217 -3.858 -20.159) 20.776 19.338 ( -6.369 -0.301 0.694) 6.414 19.706 ( -1.790 -0.015 -5.988) 6.250 20.969 ( -16.365 2.010 5.010) 17.232 21.756 ( 20.636 -3.483 2.516) 21.079 24.224 ( -9.044 2.328 -3.139) 9.852 24.334 ( 0.944 0.689 -0.282) 1.202 ======================= Grid point 321 (173/230) ======================= q-point: ( 0.20 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 0.966 6.058 7.478) 9.672 2.946 ( -0.708 6.430 12.444) 14.025 3.116 ( 0.648 -2.362 -0.764) 2.565 3.189 ( -4.478 4.692 3.564) 7.401 3.418 ( -5.273 -13.291 8.281) 16.524 3.837 ( -5.722 5.337 -5.200) 9.395 4.051 ( -12.166 -0.061 -16.438) 20.451 4.367 ( -11.051 -5.156 -8.771) 15.022 4.937 ( 7.442 9.414 17.511) 21.228 5.169 ( 9.209 -5.326 11.204) 15.450 5.548 ( 10.269 1.235 -1.057) 10.397 5.919 ( 4.525 -1.873 1.026) 5.004 6.573 ( 4.255 3.427 8.823) 10.378 7.800 ( 4.531 3.997 -14.303) 15.527 8.014 ( -12.194 5.311 9.111) 16.122 8.477 ( -5.471 -7.643 3.520) 10.037 8.882 ( -6.417 5.858 0.228) 8.691 9.244 ( 1.340 6.880 0.109) 7.010 9.448 ( 6.334 -0.375 11.948) 13.528 10.119 ( 13.887 -0.274 -2.149) 14.055 11.133 ( 0.677 -2.998 -4.558) 5.498 11.502 ( 25.193 1.455 6.193) 25.984 12.544 ( -2.261 21.423 -3.278) 21.790 12.903 ( 5.017 -7.497 1.145) 9.093 13.565 ( -1.443 -4.390 -3.783) 5.972 13.638 ( -9.026 -6.242 -10.101) 14.915 14.749 ( 2.750 -2.536 -0.560) 3.783 14.993 ( 1.756 -1.706 -6.672) 7.107 16.471 ( 7.864 -0.822 17.047) 18.792 17.980 ( 10.873 -5.176 -12.551) 17.394 19.165 ( -11.395 -0.340 -1.258) 11.470 19.630 ( -4.047 0.011 -2.296) 4.653 20.669 ( -15.484 3.346 4.788) 16.549 22.148 ( 18.868 -4.882 -1.072) 19.519 23.975 ( -15.014 1.332 -4.936) 15.861 24.330 ( -1.161 0.696 -0.583) 1.474 ======================= Grid point 322 (174/230) ======================= q-point: ( 0.30 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -0.620 5.617 5.463) 7.860 2.964 ( -0.005 5.997 7.327) 9.468 3.094 ( -5.266 0.409 -0.322) 5.292 3.134 ( 0.349 -2.861 0.267) 2.895 3.333 ( -4.821 -13.083 8.135) 16.143 3.661 ( -12.651 0.764 -15.791) 20.248 3.799 ( -5.914 7.398 -11.661) 15.023 4.127 ( -10.208 -8.207 -9.468) 16.161 5.145 ( 9.211 5.400 17.367) 20.387 5.398 ( 10.327 -1.641 11.857) 15.809 5.726 ( 7.857 2.912 -0.432) 8.390 5.985 ( 1.626 -1.549 1.802) 2.880 6.711 ( 7.795 4.174 7.348) 11.496 7.778 ( -9.743 4.698 7.613) 13.228 7.897 ( 4.047 4.122 -11.233) 12.631 8.268 ( -13.355 -10.337 1.242) 16.934 8.711 ( -9.732 4.347 -0.976) 10.703 9.415 ( 11.933 12.156 2.415) 17.205 9.633 ( 9.174 -3.330 12.263) 15.673 10.364 ( 11.501 0.146 -0.899) 11.537 11.055 ( -6.552 -2.456 -5.790) 9.082 11.931 ( 15.954 1.534 1.566) 16.104 12.521 ( 0.440 25.068 -2.412) 25.188 12.989 ( 2.914 -18.546 1.855) 18.865 13.432 ( -8.026 0.833 -7.009) 10.688 13.517 ( -4.138 -3.597 -0.241) 5.488 14.800 ( 2.576 -0.983 -0.596) 2.821 15.015 ( 1.689 -2.814 -4.599) 5.650 16.778 ( 19.968 1.211 10.684) 22.679 18.220 ( 14.811 -4.763 -7.257) 17.167 18.904 ( -13.666 -0.223 -2.839) 13.960 19.566 ( -2.281 -0.401 1.599) 2.814 20.384 ( -14.783 3.737 7.061) 16.804 22.461 ( 12.715 -5.221 -7.535) 15.675 23.648 ( -15.748 0.167 -3.563) 16.147 24.290 ( -2.501 0.485 -2.234) 3.389 ======================= Grid point 323 (175/230) ======================= q-point: ( 0.40 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( -2.656 2.133 3.365) 4.789 2.941 ( -6.097 -0.443 -0.194) 6.116 2.979 ( -4.514 4.388 -0.119) 6.296 3.127 ( -1.853 -3.181 -0.190) 3.687 3.280 ( -2.695 -6.283 1.797) 7.069 3.386 ( -6.105 -5.573 -18.053) 19.856 3.732 ( -0.340 9.293 -4.061) 10.147 3.955 ( -4.915 -8.167 -8.005) 12.447 5.359 ( 8.257 3.326 15.173) 17.591 5.600 ( 7.001 0.061 10.797) 12.868 5.846 ( 4.241 3.641 0.759) 5.641 5.986 ( -1.905 -0.870 2.936) 3.606 6.905 ( 10.060 4.644 6.255) 12.724 7.610 ( -8.278 2.716 5.668) 10.393 7.868 ( -9.421 6.078 -2.333) 11.452 8.120 ( 1.705 -11.939 -0.173) 12.062 8.531 ( -7.466 3.235 -3.693) 8.935 9.608 ( 5.988 15.228 3.506) 16.734 9.828 ( 6.755 -6.247 3.637) 9.893 10.564 ( 9.427 0.210 -1.718) 9.585 10.913 ( -5.886 -0.710 3.917) 7.106 12.081 ( -0.422 1.784 -5.145) 5.462 12.557 ( 3.494 22.603 1.097) 22.897 12.989 ( -3.377 -18.902 -3.027) 19.438 13.337 ( -0.142 1.252 4.748) 4.912 13.414 ( -6.240 -2.262 -0.620) 6.666 14.842 ( 1.710 -0.381 -0.465) 1.812 15.037 ( 1.573 -2.670 -3.638) 4.779 17.276 ( 28.467 2.312 3.192) 28.739 18.368 ( -4.785 -1.720 -6.732) 8.437 18.773 ( 7.881 -0.374 -1.523) 8.035 19.485 ( -9.742 0.574 -0.219) 9.762 20.195 ( -3.950 0.813 16.577) 17.061 22.496 ( -8.383 -4.623 -20.332) 22.473 23.470 ( 0.462 -1.152 4.555) 4.721 24.223 ( -3.457 0.254 -4.720) 5.856 ======================= Grid point 324 (176/230) ======================= q-point: (-0.50 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -4.291 -1.628 1.963) 4.992 2.767 ( -8.806 -2.377 -2.631) 9.494 2.874 ( -6.184 3.829 -4.270) 8.434 3.050 ( -3.190 2.352 -3.725) 5.439 3.273 ( 3.452 -1.568 -1.866) 4.226 3.396 ( 6.429 -10.472 -5.294) 13.381 3.751 ( 2.588 5.830 -2.096) 6.714 3.891 ( -0.316 -4.838 -7.120) 8.614 5.519 ( 4.409 2.382 12.080) 13.079 5.686 ( -1.693 1.224 8.633) 8.882 5.892 ( 0.037 3.621 2.429) 4.361 5.953 ( -1.212 -0.427 3.809) 4.020 7.105 ( 7.429 3.572 6.496) 10.495 7.485 ( -5.459 2.298 2.226) 6.327 7.639 ( -10.434 0.979 -1.003) 10.527 8.205 ( 1.875 -5.274 16.048) 16.996 8.432 ( 0.591 1.296 -14.190) 14.262 9.644 ( -2.476 13.459 -7.845) 15.774 9.868 ( -2.461 -5.685 6.340) 8.864 10.717 ( 5.846 0.653 -3.770) 6.987 10.879 ( -0.501 1.744 15.983) 16.086 11.932 ( -11.922 0.886 -7.245) 13.979 12.644 ( 4.772 16.115 0.781) 16.825 12.890 ( -4.414 -4.354 -2.891) 6.841 13.278 ( -7.478 -1.421 1.663) 7.791 13.418 ( 5.800 -8.430 6.147) 11.937 14.860 ( 0.135 -0.950 -0.141) 0.970 15.060 ( 1.763 -1.510 -3.982) 4.610 17.863 ( 30.373 3.041 -2.948) 30.667 18.138 ( -11.553 -0.424 -9.091) 14.707 19.076 ( 16.196 1.880 1.005) 16.336 19.125 ( -23.178 1.280 -1.499) 23.262 20.363 ( 14.216 -3.245 25.872) 29.698 22.099 ( -23.294 -4.186 -25.476) 34.773 23.637 ( 12.184 -1.281 6.075) 13.675 24.136 ( -3.904 0.019 -7.548) 8.498 ======================= Grid point 325 (177/230) ======================= q-point: (-0.40 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -4.725 1.482 3.159) 5.874 2.649 ( -2.911 -0.891 -0.557) 3.095 2.765 ( -2.802 1.628 0.192) 3.247 3.025 ( 0.825 -2.070 -0.560) 2.297 3.379 ( 7.607 4.482 -1.562) 8.966 3.557 ( 10.334 -10.977 -3.426) 15.460 3.808 ( 3.638 2.167 -2.897) 5.131 3.891 ( 1.882 -1.740 -8.477) 8.856 5.542 ( -8.461 4.418 7.837) 12.350 5.599 ( -4.280 -0.798 8.256) 9.333 5.861 ( -4.136 2.945 3.690) 6.277 5.959 ( 0.022 0.019 3.322) 3.322 7.102 ( -10.593 -1.534 8.165) 13.463 7.428 ( -0.172 1.814 -3.635) 4.066 7.575 ( 5.303 4.502 0.612) 6.983 8.236 ( -2.182 -1.848 24.226) 24.395 8.494 ( 7.478 -1.117 -14.934) 16.739 9.501 ( -7.397 7.703 -15.251) 18.619 9.809 ( -6.462 -1.349 15.063) 16.446 10.742 ( -2.692 2.500 1.475) 3.959 10.910 ( -1.461 2.657 11.523) 11.915 11.627 ( -16.758 -1.085 -6.290) 17.932 12.723 ( 1.569 7.598 -1.791) 7.963 12.850 ( 2.788 6.352 -3.519) 7.778 13.149 ( -6.048 2.120 5.729) 8.596 13.566 ( 8.038 -14.295 2.641) 16.612 14.846 ( -1.683 -1.494 0.481) 2.301 15.084 ( 1.657 -0.640 -5.428) 5.712 17.929 ( -5.937 1.768 -11.655) 13.199 18.426 ( 23.457 2.897 -8.644) 25.166 18.560 ( -26.956 -1.832 3.083) 27.194 19.434 ( 16.528 2.001 2.511) 16.837 20.786 ( 20.593 -3.490 28.933) 35.685 21.555 ( -25.032 -3.372 -24.527) 35.207 23.898 ( 12.182 -0.081 4.057) 12.840 24.046 ( -2.619 -0.412 -9.765) 10.119 ======================= Grid point 326 (178/230) ======================= q-point: (-0.30 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -2.003 4.373 8.165) 9.477 2.624 ( 0.499 8.516 4.670) 9.726 2.809 ( 5.745 -4.102 6.874) 9.853 3.060 ( 2.061 -7.744 2.713) 8.461 3.555 ( 9.672 9.596 -0.545) 13.636 3.723 ( 5.386 -3.549 -4.738) 8.003 3.881 ( 4.989 -0.452 -6.313) 8.059 3.952 ( 8.393 -6.380 -7.290) 12.818 5.308 ( -14.631 3.843 7.378) 16.831 5.519 ( -7.146 -0.396 6.197) 9.467 5.742 ( -8.965 1.325 4.767) 10.240 5.945 ( -2.173 0.044 1.894) 2.883 6.860 ( -13.737 -2.408 8.478) 16.321 7.452 ( 4.630 1.527 -9.365) 10.558 7.748 ( 9.445 6.971 5.278) 12.871 8.274 ( 0.671 -3.087 23.355) 23.568 8.598 ( 5.325 -0.188 -8.988) 10.448 9.341 ( -5.083 5.109 -10.614) 12.829 9.668 ( -11.682 0.104 15.102) 19.094 10.643 ( -7.155 2.865 0.186) 7.710 10.847 ( -7.219 4.266 10.009) 13.057 11.286 ( -16.040 -3.333 -3.172) 16.687 12.691 ( -2.117 12.341 -6.759) 14.229 12.948 ( 3.990 -11.568 -2.171) 12.428 13.098 ( 0.952 18.226 7.177) 19.612 13.736 ( 9.009 -17.482 -2.179) 19.787 14.800 ( -3.065 -1.462 1.072) 3.561 15.094 ( 0.846 -0.438 -7.357) 7.418 17.780 ( -15.886 9.480 -6.413) 19.580 18.007 ( -13.889 -12.399 -4.474) 19.148 18.922 ( 22.935 1.765 -7.035) 24.055 19.700 ( 8.963 0.482 0.511) 8.990 21.061 ( -18.561 -0.987 -17.508) 25.535 21.232 ( 16.498 -1.981 26.815) 31.546 23.989 ( 0.869 0.906 -9.868) 9.948 24.131 ( 9.543 -0.250 1.925) 9.738 ======================= Grid point 327 (179/230) ======================= q-point: (-0.20 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -0.258 2.958 12.436) 12.786 2.708 ( 5.632 17.894 9.788) 21.160 2.971 ( 7.276 -3.037 10.452) 13.092 3.119 ( 3.191 -13.923 8.272) 16.506 3.614 ( -3.959 2.355 -4.225) 6.250 3.852 ( 10.045 11.592 -2.872) 15.605 3.974 ( 7.172 0.659 -8.800) 11.372 4.172 ( 12.806 -11.205 -3.287) 17.331 5.050 ( -12.563 3.958 6.793) 14.820 5.360 ( -9.688 -0.833 4.981) 10.925 5.545 ( -11.926 -0.906 5.377) 13.113 5.890 ( -3.584 -0.571 1.707) 4.010 6.646 ( -9.827 -0.696 8.707) 13.148 7.569 ( 9.605 3.039 -13.001) 16.447 7.930 ( 7.112 8.232 8.985) 14.109 8.364 ( 2.588 -6.794 21.963) 23.135 8.651 ( 2.173 2.575 -5.374) 6.343 9.269 ( -0.250 4.539 -5.156) 6.874 9.442 ( -13.637 -0.417 12.550) 18.538 10.470 ( -10.112 0.137 -7.520) 12.602 10.715 ( -7.650 8.505 13.666) 17.821 11.014 ( -11.214 -6.268 2.103) 13.018 12.643 ( -0.574 13.930 -7.487) 15.824 12.937 ( -3.290 -6.351 1.116) 7.239 13.223 ( 8.268 12.234 1.369) 14.829 13.893 ( 7.758 -18.821 -7.147) 21.576 14.737 ( -3.468 -1.064 1.277) 3.845 15.081 ( -0.240 -0.432 -9.278) 9.291 17.278 ( -27.684 -0.146 8.471) 28.952 17.983 ( 5.597 -7.080 -20.316) 22.231 19.299 ( 17.257 1.678 -7.474) 18.881 19.727 ( -5.757 -1.568 -5.023) 7.799 20.842 ( 0.011 1.725 -2.835) 3.319 21.498 ( 4.276 -0.734 19.869) 20.337 24.033 ( 5.745 1.186 -7.516) 9.534 24.288 ( 6.091 0.806 0.846) 6.202 ======================= Grid point 328 (180/230) ======================= q-point: (-0.10 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 1.329 3.233 14.141) 14.567 2.836 ( 3.672 18.305 11.602) 21.981 3.104 ( 4.499 -2.316 9.511) 10.773 3.220 ( 2.499 -8.714 10.610) 13.955 3.510 ( -3.387 -2.693 -1.041) 4.450 3.973 ( 3.151 1.820 -1.207) 3.834 4.152 ( 11.187 10.957 -7.232) 17.248 4.364 ( 5.948 -6.017 1.033) 8.524 4.886 ( -4.977 3.536 2.961) 6.785 5.206 ( -5.827 -1.215 3.691) 7.003 5.327 ( -11.142 -4.487 5.450) 13.191 5.823 ( -3.377 -1.032 1.464) 3.823 6.521 ( -5.223 1.251 9.813) 11.186 7.723 ( 7.861 4.679 -15.204) 17.744 8.064 ( 4.368 8.776 10.845) 14.619 8.467 ( 3.650 -9.100 14.915) 17.849 8.686 ( 2.419 5.064 2.863) 6.300 9.203 ( -8.427 4.033 10.027) 13.705 9.359 ( 6.895 -0.511 -3.685) 7.835 10.198 ( -15.392 -2.282 -9.588) 18.277 10.656 ( -1.478 11.366 12.832) 17.206 10.873 ( -3.744 -8.998 6.586) 11.763 12.643 ( 2.269 12.873 -6.266) 14.496 12.854 ( -5.138 2.007 -0.444) 5.534 13.381 ( 7.460 3.955 -0.592) 8.464 13.986 ( 3.451 -18.440 -11.271) 21.885 14.682 ( -2.111 -0.964 0.998) 2.527 15.045 ( -0.878 -0.356 -10.719) 10.760 16.820 ( -21.485 -4.552 14.379) 26.251 18.011 ( 1.840 -4.965 -28.166) 28.660 19.527 ( -1.272 2.269 -3.018) 3.984 19.584 ( 4.075 -2.268 -6.437) 7.948 21.002 ( 13.849 1.126 4.996) 14.765 21.490 ( -8.245 -0.111 11.886) 14.466 24.157 ( 7.327 1.719 -3.546) 8.320 24.369 ( 1.944 1.368 -0.330) 2.400 ======================= Grid point 369 (181/230) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -0.935 0.000 14.430) 14.460 2.097 ( -1.188 0.000 6.672) 6.777 2.808 ( 8.467 0.000 -2.933) 8.961 2.905 ( -2.093 0.000 -10.341) 10.551 3.756 ( 1.943 0.000 2.957) 3.539 3.841 ( -1.281 0.000 -4.647) 4.820 4.405 ( 7.395 0.000 24.862) 25.938 4.548 ( 1.244 0.000 10.155) 10.231 4.989 ( -7.774 0.000 -6.247) 9.973 5.008 ( -3.498 0.000 -5.925) 6.881 5.706 ( 0.166 0.000 2.749) 2.754 5.769 ( 3.238 0.000 -2.412) 4.038 6.461 ( -9.168 0.000 13.784) 16.555 6.776 ( 6.921 0.000 -15.842) 17.288 7.702 ( 1.467 0.000 14.846) 14.918 7.972 ( -5.137 0.000 -10.514) 11.702 8.471 ( -12.991 0.000 11.815) 17.560 8.739 ( 13.580 0.000 -13.603) 19.221 9.876 ( 16.414 0.000 23.216) 28.433 10.307 ( -18.693 0.000 -17.187) 25.393 10.428 ( 5.877 0.000 -0.458) 5.895 10.441 ( -0.241 0.000 -1.815) 1.831 11.717 ( -3.252 0.000 3.088) 4.484 11.852 ( 8.541 0.000 -9.142) 12.510 14.205 ( 6.333 0.000 9.924) 11.773 14.459 ( -6.848 0.000 -13.815) 15.419 15.110 ( -6.880 0.000 2.522) 7.328 15.157 ( 8.761 0.000 -2.503) 9.112 18.188 ( -41.622 0.000 4.043) 41.818 18.272 ( 30.709 0.000 -3.593) 30.919 19.590 ( 0.363 0.000 1.751) 1.789 19.626 ( -0.731 0.000 -1.664) 1.818 21.387 ( -32.320 0.000 10.966) 34.130 21.606 ( 40.029 0.000 -9.674) 41.181 23.714 ( 5.592 0.000 4.539) 7.202 23.817 ( -4.753 0.000 -5.007) 6.904 ======================= Grid point 370 (182/230) ======================= q-point: ( 0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 8.306 0.000 15.277) 17.389 2.161 ( 6.301 0.000 3.428) 7.173 2.838 ( -1.979 0.000 -15.548) 15.673 2.987 ( 10.511 0.000 -4.743) 11.532 3.727 ( -4.596 0.000 1.951) 4.993 3.752 ( -6.146 0.000 -5.779) 8.437 4.572 ( -0.740 0.000 -3.477) 3.555 4.636 ( 9.385 0.000 24.566) 26.298 4.822 ( -7.580 0.000 -8.081) 11.080 4.992 ( 2.198 0.000 9.636) 9.883 5.710 ( -0.178 0.000 -0.750) 0.771 5.821 ( 2.681 0.000 -5.083) 5.746 6.385 ( -2.314 0.000 14.507) 14.690 6.919 ( 10.945 0.000 -12.413) 16.549 7.763 ( 0.384 0.000 17.315) 17.319 7.849 ( -4.711 0.000 -7.572) 8.918 8.310 ( -5.704 0.000 12.154) 13.426 9.035 ( 18.996 0.000 -13.496) 23.302 9.914 ( -16.270 0.000 -19.679) 25.533 10.160 ( 5.900 0.000 24.109) 24.821 10.464 ( 2.959 0.000 -3.263) 4.404 10.671 ( 19.687 0.000 -3.827) 20.055 11.623 ( -6.685 0.000 -1.068) 6.770 12.000 ( 9.278 0.000 -13.151) 16.094 14.295 ( -6.884 0.000 -13.001) 14.711 14.362 ( 6.981 0.000 10.468) 12.582 14.952 ( -9.593 0.000 0.447) 9.604 15.298 ( 6.404 0.000 -3.111) 7.120 17.473 ( -31.991 0.000 14.752) 35.228 18.876 ( 28.814 0.000 3.026) 28.973 19.553 ( -3.364 0.000 3.663) 4.973 19.565 ( -5.168 0.000 -1.926) 5.515 20.711 ( -37.562 0.000 5.292) 37.933 22.257 ( 28.882 0.000 -17.715) 33.882 23.712 ( -4.362 0.000 -5.187) 6.777 23.843 ( 6.258 0.000 3.474) 7.157 ======================= Grid point 371 (183/230) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 10.473 0.000 2.187) 10.699 2.363 ( 14.192 0.000 14.032) 19.958 2.752 ( -2.521 0.000 -17.985) 18.161 3.175 ( 8.323 0.000 -4.304) 9.370 3.604 ( -5.253 0.000 -11.301) 12.462 3.620 ( -6.020 0.000 0.967) 6.097 4.495 ( -5.713 0.000 -4.566) 7.314 4.643 ( -8.995 0.000 -3.357) 9.601 4.876 ( 9.496 0.000 17.330) 19.761 5.120 ( 6.882 0.000 13.801) 15.422 5.692 ( -1.251 0.000 -3.205) 3.440 5.838 ( 0.225 0.000 -6.409) 6.413 6.421 ( 2.260 0.000 13.389) 13.578 7.121 ( 11.060 0.000 -7.510) 13.369 7.761 ( -2.688 0.000 -4.678) 5.395 7.783 ( -2.015 0.000 15.522) 15.652 8.317 ( 2.390 0.000 17.448) 17.610 9.386 ( 19.319 0.000 -13.230) 23.415 9.597 ( -10.830 0.000 -22.091) 24.603 10.261 ( 0.314 0.000 19.406) 19.409 10.548 ( 6.630 0.000 -3.318) 7.414 11.091 ( 20.426 0.000 1.049) 20.452 11.465 ( -7.603 0.000 -3.141) 8.226 12.151 ( 10.018 0.000 -19.917) 22.295 14.125 ( -7.578 0.000 -10.706) 13.117 14.464 ( -2.971 0.000 10.151) 10.577 14.789 ( -3.428 0.000 1.397) 3.702 15.391 ( 3.823 0.000 -3.980) 5.518 17.051 ( -14.713 0.000 17.742) 23.049 19.140 ( -6.898 0.000 -2.659) 7.393 19.423 ( -8.458 0.000 -3.048) 8.991 19.674 ( 10.816 0.000 8.990) 14.064 20.043 ( -23.257 0.000 10.017) 25.322 22.621 ( 12.892 0.000 -24.763) 27.918 23.648 ( -0.455 0.000 -2.532) 2.573 23.964 ( 5.263 0.000 1.295) 5.420 ======================= Grid point 372 (184/230) ======================= q-point: ( 0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 11.641 0.000 1.661) 11.759 2.622 ( 3.514 0.000 -13.957) 14.393 2.743 ( 11.134 0.000 9.508) 14.642 3.166 ( -8.886 0.000 -2.560) 9.247 3.514 ( -4.513 0.000 -0.338) 4.526 3.624 ( 11.122 0.000 -15.728) 19.263 4.341 ( -9.746 0.000 2.382) 10.033 4.441 ( -10.894 0.000 -5.242) 12.090 5.088 ( 8.207 0.000 14.882) 16.995 5.289 ( 6.967 0.000 10.442) 12.553 5.648 ( -2.149 0.000 -4.322) 4.827 5.799 ( -2.599 0.000 -6.025) 6.562 6.528 ( 5.483 0.000 12.470) 13.622 7.262 ( 3.408 0.000 -4.428) 5.588 7.736 ( 1.243 0.000 -1.399) 1.871 7.779 ( -1.258 0.000 12.136) 12.201 8.446 ( 5.016 0.000 22.794) 23.340 9.393 ( -4.460 0.000 -22.048) 22.494 9.705 ( 16.171 0.000 -15.497) 22.397 10.273 ( -3.411 0.000 14.553) 14.947 10.713 ( 10.771 0.000 -2.120) 10.978 11.191 ( -9.960 0.000 11.271) 15.041 11.557 ( 15.961 0.000 -5.067) 16.746 12.287 ( 9.138 0.000 -27.368) 28.853 13.961 ( -6.576 0.000 -6.805) 9.463 14.266 ( -15.228 0.000 8.376) 17.380 14.864 ( 6.417 0.000 6.019) 8.798 15.424 ( 0.559 0.000 -5.228) 5.258 16.978 ( 2.951 0.000 13.933) 14.242 18.820 ( -21.767 0.000 -5.659) 22.491 19.237 ( -9.185 0.000 -4.568) 10.258 19.326 ( -24.204 0.000 0.229) 24.205 20.357 ( 25.707 0.000 26.552) 36.958 22.649 ( -2.523 0.000 -29.150) 29.259 23.695 ( 5.046 0.000 0.368) 5.059 24.045 ( 2.789 0.000 -1.044) 2.979 ======================= Grid point 373 (185/230) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 2.607 0.000 -14.031) 14.271 2.779 ( 8.125 0.000 -0.528) 8.142 2.936 ( -10.290 0.000 -2.324) 10.549 3.009 ( 7.829 0.000 9.124) 12.022 3.486 ( 3.592 0.000 2.758) 4.529 3.850 ( 13.131 0.000 -11.785) 17.644 4.126 ( -13.340 0.000 8.220) 15.669 4.192 ( -12.669 0.000 -7.716) 14.834 5.262 ( 6.399 0.000 11.183) 12.885 5.429 ( 5.179 0.000 6.849) 8.587 5.593 ( -2.381 0.000 -4.289) 4.906 5.715 ( -4.406 0.000 -4.349) 6.190 6.691 ( 8.249 0.000 11.567) 14.207 7.226 ( -4.923 0.000 -5.464) 7.355 7.789 ( 3.047 0.000 2.180) 3.746 7.797 ( 0.332 0.000 9.026) 9.032 8.592 ( 3.771 0.000 25.088) 25.370 9.306 ( 0.427 0.000 -24.388) 24.392 9.946 ( 12.444 0.000 -14.427) 19.052 10.181 ( -9.092 0.000 8.400) 12.379 10.938 ( 11.884 0.000 -1.077) 11.933 11.022 ( -9.607 0.000 18.381) 20.740 11.794 ( 7.611 0.000 1.140) 7.696 12.353 ( 4.057 0.000 -31.813) 32.071 13.869 ( -0.779 0.000 -3.307) 3.397 14.003 ( -12.605 0.000 8.057) 14.960 14.999 ( 5.432 0.000 8.190) 9.828 15.389 ( -2.613 0.000 -6.572) 7.073 17.206 ( 16.728 0.000 9.234) 19.108 18.327 ( -25.576 0.000 -8.663) 27.003 18.972 ( -12.544 0.000 4.425) 13.302 19.066 ( -6.394 0.000 -5.777) 8.617 20.907 ( 23.252 0.000 29.259) 37.373 22.430 ( -11.802 0.000 -31.103) 33.267 23.814 ( 6.195 0.000 1.784) 6.446 24.061 ( -0.760 0.000 -2.928) 3.025 ======================= Grid point 374 (186/230) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -13.677 0.000 0.061) 13.677 2.680 ( 6.476 0.000 -6.085) 8.886 3.024 ( -5.172 0.000 -1.102) 5.288 3.034 ( 10.574 0.000 -2.228) 10.806 3.681 ( 9.266 0.000 14.395) 17.119 3.848 ( -14.747 0.000 -3.032) 15.055 3.881 ( -10.781 0.000 7.307) 13.023 4.111 ( 9.616 0.000 -12.374) 15.671 5.388 ( 4.073 0.000 8.329) 9.272 5.521 ( 1.817 0.000 1.719) 2.501 5.539 ( -1.180 0.000 -0.861) 1.460 5.622 ( -3.967 0.000 -2.958) 4.948 6.894 ( 9.433 0.000 10.227) 13.913 7.084 ( -7.199 0.000 -7.872) 10.667 7.820 ( -0.260 0.000 5.648) 5.654 7.842 ( 1.766 0.000 2.578) 3.125 8.700 ( 1.215 0.000 25.039) 25.069 9.261 ( 0.189 0.000 -26.453) 26.453 9.969 ( -13.542 0.000 6.144) 14.871 10.138 ( 10.508 0.000 -11.126) 15.304 10.903 ( -8.106 0.000 21.398) 22.882 11.142 ( 8.734 0.000 -1.143) 8.808 11.856 ( -1.850 0.000 8.805) 8.997 12.280 ( -4.201 0.000 -29.525) 29.822 13.834 ( -6.208 0.000 6.253) 8.811 13.932 ( 7.959 0.000 -3.614) 8.741 15.116 ( 4.444 0.000 9.460) 10.452 15.299 ( -4.723 0.000 -7.521) 8.881 17.636 ( 24.330 0.000 7.100) 25.345 17.826 ( -22.376 0.000 -10.619) 24.768 18.852 ( -1.300 0.000 6.485) 6.613 18.986 ( 0.280 0.000 -5.862) 5.869 21.390 ( 18.765 0.000 30.509) 35.818 22.061 ( -18.153 0.000 -32.701) 37.402 23.928 ( 4.637 0.000 2.618) 5.325 24.001 ( -4.408 0.000 -3.947) 5.917 ======================= Grid point 375 (187/230) ======================= q-point: (-0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -11.243 0.000 7.796) 13.682 2.785 ( -1.781 0.000 -1.091) 2.089 2.912 ( 1.077 0.000 -0.492) 1.184 3.193 ( 4.125 0.000 -8.704) 9.632 3.550 ( -11.204 0.000 -2.401) 11.459 3.556 ( -15.062 0.000 15.362) 21.515 4.032 ( 13.385 0.000 7.180) 15.189 4.242 ( 4.535 0.000 -2.658) 5.257 5.462 ( -3.334 0.000 -7.082) 7.828 5.465 ( 2.177 0.000 6.381) 6.742 5.552 ( -2.272 0.000 -3.691) 4.334 5.590 ( 1.850 0.000 7.350) 7.579 6.930 ( -5.918 0.000 -10.813) 12.326 7.086 ( 7.314 0.000 8.255) 11.029 7.788 ( -4.520 0.000 2.812) 5.323 7.878 ( 1.830 0.000 0.355) 1.864 8.767 ( 0.157 0.000 24.745) 24.746 9.165 ( -3.789 0.000 -27.471) 27.731 9.711 ( -14.085 0.000 8.488) 16.444 10.302 ( 8.212 0.000 -6.789) 10.655 10.777 ( -9.790 0.000 16.405) 19.105 11.266 ( 4.235 0.000 0.030) 4.235 11.803 ( -5.517 0.000 17.018) 17.890 12.065 ( -10.765 0.000 -25.186) 27.390 13.789 ( 0.034 0.000 4.839) 4.839 14.140 ( 13.719 0.000 -5.673) 14.846 15.174 ( -6.181 0.000 -8.020) 10.125 15.214 ( 3.148 0.000 9.671) 10.170 17.443 ( -13.109 0.000 -12.774) 18.304 18.157 ( 26.757 0.000 7.159) 27.698 18.931 ( 7.087 0.000 6.660) 9.725 19.068 ( 9.526 0.000 -4.320) 10.460 21.571 ( -24.015 0.000 -33.506) 41.224 21.776 ( 13.182 0.000 30.478) 33.207 23.879 ( -6.909 0.000 -3.900) 7.934 24.000 ( 2.041 0.000 2.523) 3.245 ======================= Grid point 376 (188/230) ======================= q-point: (-0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -6.005 0.000 17.062) 18.088 2.576 ( -14.212 0.000 1.507) 14.292 3.032 ( -13.564 0.000 -12.505) 18.449 3.089 ( 10.355 0.000 4.118) 11.144 3.325 ( -10.354 0.000 11.039) 15.134 3.542 ( 7.214 0.000 -2.917) 7.781 4.274 ( -1.413 0.000 8.201) 8.322 4.278 ( 9.426 0.000 8.583) 12.748 5.367 ( -4.340 0.000 -9.975) 10.878 5.448 ( -4.540 0.000 -2.645) 5.254 5.565 ( 3.549 0.000 1.541) 3.869 5.637 ( 0.990 0.000 9.210) 9.263 6.811 ( -3.310 0.000 -13.801) 14.192 7.172 ( -1.887 0.000 4.655) 5.023 7.669 ( -6.919 0.000 4.933) 8.497 7.926 ( 3.629 0.000 -2.957) 4.681 8.849 ( 2.421 0.000 26.050) 26.162 8.986 ( -7.844 0.000 -26.252) 27.399 9.466 ( -13.159 0.000 9.645) 16.316 10.414 ( 4.244 0.000 -3.714) 5.640 10.603 ( -10.407 0.000 10.089) 14.495 11.305 ( -1.852 0.000 6.275) 6.543 11.752 ( -3.917 0.000 20.282) 20.656 11.775 ( -10.950 0.000 -26.549) 28.718 13.843 ( 3.821 0.000 5.294) 6.529 14.417 ( 15.552 0.000 -6.538) 16.871 15.018 ( -7.747 0.000 -8.455) 11.467 15.274 ( 0.570 0.000 8.777) 8.796 17.283 ( 0.452 0.000 -14.602) 14.609 18.692 ( 25.370 0.000 6.385) 26.161 19.128 ( 10.843 0.000 5.426) 12.125 19.340 ( 18.942 0.000 -0.688) 18.954 20.971 ( -29.207 0.000 -31.860) 43.222 22.033 ( 5.472 0.000 28.993) 29.505 23.730 ( -6.924 0.000 -2.706) 7.433 24.018 ( -0.655 0.000 1.322) 1.476 ======================= Grid point 377 (189/230) ======================= q-point: (-0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -3.243 0.000 21.812) 22.052 2.296 ( -14.677 0.000 7.091) 16.301 2.764 ( -8.858 0.000 -11.697) 14.672 3.100 ( -6.915 0.000 1.223) 7.023 3.393 ( 11.496 0.000 8.455) 14.270 3.692 ( 8.231 0.000 -5.662) 9.990 4.251 ( -3.272 0.000 17.900) 18.197 4.434 ( 4.184 0.000 11.037) 11.803 5.249 ( -4.987 0.000 -12.597) 13.548 5.320 ( -7.285 0.000 -4.627) 8.630 5.644 ( 3.820 0.000 0.836) 3.910 5.671 ( 0.326 0.000 9.133) 9.139 6.738 ( -0.437 0.000 -16.082) 16.088 6.994 ( -15.715 0.000 4.311) 16.296 7.613 ( -0.742 0.000 9.712) 9.740 8.004 ( 5.088 0.000 -6.577) 8.316 8.761 ( -8.332 0.000 -22.450) 23.946 8.927 ( -5.033 0.000 25.129) 25.628 9.301 ( -1.599 0.000 10.532) 10.653 10.451 ( 0.593 0.000 -2.632) 2.698 10.451 ( -6.544 0.000 6.757) 9.407 11.136 ( -16.996 0.000 1.884) 17.100 11.631 ( 2.887 0.000 -19.934) 20.142 11.742 ( -1.854 0.000 16.666) 16.769 13.948 ( 5.110 0.000 6.934) 8.614 14.691 ( 12.642 0.000 -9.414) 15.762 14.845 ( -6.584 0.000 -6.034) 8.931 15.274 ( -2.488 0.000 7.110) 7.533 17.392 ( 13.897 0.000 -14.488) 20.076 19.097 ( 12.195 0.000 1.415) 12.277 19.350 ( 10.133 0.000 3.675) 10.779 19.754 ( 14.405 0.000 0.238) 14.407 20.385 ( -13.118 0.000 -21.398) 25.099 22.095 ( -6.380 0.000 24.966) 25.768 23.622 ( -3.121 0.000 -0.032) 3.121 23.984 ( -2.727 0.000 -0.724) 2.822 ======================= Grid point 378 (190/230) ======================= q-point: (-0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -9.887 0.000 11.688) 15.309 2.157 ( -6.056 0.000 14.113) 15.357 2.691 ( 3.246 0.000 -5.154) 6.091 2.983 ( -4.398 0.000 -4.485) 6.282 3.628 ( 9.548 0.000 5.799) 11.171 3.815 ( 5.140 0.000 -6.310) 8.139 4.265 ( 0.586 0.000 24.264) 24.271 4.504 ( 0.599 0.000 13.928) 13.941 5.119 ( -5.000 0.000 -12.892) 13.828 5.156 ( -7.999 0.000 -5.137) 9.507 5.693 ( 0.071 0.000 6.572) 6.572 5.711 ( 3.098 0.000 -0.467) 3.133 6.682 ( -15.951 0.000 9.817) 18.730 6.721 ( 2.804 0.000 -16.965) 17.195 7.646 ( 1.002 0.000 11.866) 11.909 8.054 ( 0.614 0.000 -10.307) 10.325 8.621 ( 0.869 0.000 -16.700) 16.722 8.731 ( -15.808 0.000 15.305) 22.003 9.502 ( 14.840 0.000 19.163) 24.238 10.388 ( -1.332 0.000 4.309) 4.510 10.441 ( -0.533 0.000 -3.052) 3.098 10.742 ( -20.637 0.000 -9.263) 22.621 11.714 ( 7.585 0.000 -10.128) 12.654 11.744 ( -1.432 0.000 9.756) 9.860 14.069 ( 5.438 0.000 8.682) 10.244 14.631 ( -7.333 0.000 -14.073) 15.869 14.966 ( 11.253 0.000 -1.795) 11.395 15.215 ( -4.844 0.000 5.002) 6.963 17.742 ( 24.475 0.000 -10.799) 26.752 18.956 ( -30.363 0.000 -5.279) 30.819 19.520 ( 6.153 0.000 2.250) 6.551 19.641 ( -3.615 0.000 -4.467) 5.747 20.806 ( 40.682 0.000 -3.343) 40.819 21.880 ( -20.826 0.000 18.168) 27.637 23.621 ( 2.455 0.000 3.286) 4.102 23.913 ( -4.016 0.000 -3.099) 5.072 ======================= Grid point 379 (191/230) ======================= q-point: ( 0.00 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 1.232 9.880 13.527) 16.796 2.212 ( -3.131 10.587 5.510) 12.338 2.843 ( 4.600 3.803 0.372) 5.980 3.000 ( 1.197 7.857 -12.063) 14.446 3.717 ( 2.364 -3.197 3.653) 5.400 3.815 ( -2.543 -1.719 -5.156) 6.001 4.427 ( 8.515 1.964 24.091) 25.627 4.585 ( 1.619 2.486 11.988) 12.350 4.930 ( -8.291 -4.688 -6.926) 11.777 5.007 ( -3.409 -0.728 -7.835) 8.576 5.689 ( -0.845 -1.587 3.367) 3.817 5.769 ( 3.446 -0.159 -3.736) 5.085 6.502 ( -8.309 3.997 15.332) 17.891 6.841 ( 6.498 6.094 -16.388) 18.652 7.805 ( 1.864 9.418 14.260) 17.190 8.049 ( -4.819 7.321 -8.368) 12.118 8.557 ( -12.408 7.902 9.238) 17.371 8.774 ( 12.640 3.151 -11.196) 17.177 9.808 ( 13.787 -5.420 19.121) 24.188 10.148 ( -11.721 -9.528 -12.329) 19.498 10.504 ( 7.101 6.172 4.666) 10.502 10.651 ( -5.115 13.750 -9.501) 17.479 11.750 ( -1.804 3.990 4.680) 6.409 11.911 ( 6.258 5.662 -9.884) 12.997 14.164 ( 6.209 -4.024 10.534) 12.872 14.431 ( -7.012 -2.959 -14.316) 16.213 15.056 ( -5.409 -4.971 2.341) 7.710 15.108 ( 7.286 -4.671 -2.574) 9.029 17.985 ( -20.649 -17.267 9.880) 28.673 18.182 ( 10.529 -9.754 -8.936) 16.907 19.566 ( -1.993 -1.962 2.333) 3.642 19.619 ( 1.905 -0.767 -2.614) 3.324 21.376 ( -29.772 -0.850 9.439) 31.244 21.556 ( 36.279 -4.088 -7.493) 37.269 23.827 ( 5.593 9.627 2.462) 11.403 23.895 ( -4.658 7.031 -3.722) 9.219 ======================= Grid point 380 (192/230) ======================= q-point: ( 0.10 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 2.966 6.740 9.624) 12.118 2.301 ( 9.543 11.586 7.587) 16.819 2.876 ( -0.732 4.066 -8.694) 9.626 3.056 ( 7.200 5.480 -9.804) 13.341 3.692 ( -5.749 -4.335 -1.407) 7.336 3.714 ( -5.235 -1.408 -0.773) 5.476 4.596 ( -3.704 1.354 -5.857) 7.061 4.675 ( 8.933 3.756 23.868) 25.760 4.813 ( -0.424 -1.747 -3.013) 3.508 4.938 ( -1.826 -4.137 4.675) 6.504 5.679 ( -0.587 -2.310 0.247) 2.396 5.833 ( 3.800 0.556 -5.230) 6.488 6.437 ( -2.466 4.868 15.533) 16.463 6.970 ( 10.184 4.773 -13.339) 17.448 7.835 ( -3.249 6.425 9.906) 12.246 7.972 ( -0.638 11.763 -0.334) 11.785 8.399 ( -5.285 8.138 10.112) 14.015 9.053 ( 17.609 1.606 -10.890) 20.767 9.788 ( -15.347 -9.265 -11.202) 21.139 10.115 ( 8.059 -5.549 13.865) 16.970 10.594 ( 2.236 12.601 -8.467) 15.345 10.786 ( 18.622 8.604 0.745) 20.528 11.643 ( -8.152 2.386 -0.762) 8.528 12.064 ( 10.312 6.366 -11.570) 16.755 14.231 ( -5.741 -5.711 -7.376) 10.953 14.341 ( 4.190 -2.966 5.529) 7.544 14.910 ( -8.394 -3.604 0.215) 9.137 15.248 ( 6.510 -4.945 -3.100) 8.743 17.388 ( -28.632 -7.859 15.157) 33.336 18.688 ( 27.058 -17.786 2.181) 32.454 19.443 ( -9.907 -4.459 0.501) 10.875 19.634 ( -0.349 1.598 -0.228) 1.651 20.761 ( -33.074 4.446 4.684) 33.698 22.170 ( 27.871 -7.578 -14.435) 32.289 23.783 ( -5.458 6.460 -3.902) 9.314 23.942 ( 5.290 8.363 1.397) 9.994 ======================= Grid point 381 (193/230) ======================= q-point: ( 0.20 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 8.490 1.373 6.741) 10.927 2.548 ( 12.599 11.486 8.040) 18.850 2.806 ( -2.537 5.426 -14.184) 15.397 3.188 ( 6.403 0.860 -6.418) 9.107 3.542 ( -5.835 -5.410 -9.066) 12.063 3.613 ( -5.548 -0.556 1.424) 5.755 4.422 ( -10.069 -5.393 -6.975) 13.383 4.717 ( -7.503 4.375 -1.838) 8.878 4.915 ( 8.462 2.811 15.988) 18.306 5.060 ( 9.846 -4.370 12.425) 16.445 5.665 ( -0.687 -1.320 -2.079) 2.557 5.877 ( 1.679 2.549 -5.818) 6.570 6.465 ( 1.572 4.172 14.192) 14.876 7.157 ( 10.787 3.444 -8.594) 14.216 7.757 ( -4.825 3.127 4.085) 7.053 7.976 ( -0.990 14.414 5.643) 15.511 8.411 ( 2.926 8.560 15.060) 17.568 9.374 ( 14.456 -3.565 -14.715) 20.934 9.480 ( -8.999 -6.729 -10.870) 15.633 10.278 ( 5.092 -1.196 13.991) 14.937 10.653 ( 6.087 11.374 -9.717) 16.150 11.189 ( 19.134 8.541 3.517) 21.247 11.463 ( -8.048 0.095 -3.208) 8.664 12.236 ( 10.452 8.287 -17.494) 21.999 14.063 ( -7.924 -6.081 -10.050) 14.169 14.395 ( -4.761 -6.716 10.237) 13.136 14.791 ( -1.223 0.290 1.243) 1.768 15.341 ( 3.824 -4.841 -3.914) 7.306 17.018 ( -12.711 -2.991 17.578) 21.898 19.073 ( 7.250 -16.803 0.659) 18.312 19.184 ( -16.248 -7.421 -2.037) 17.979 19.673 ( 3.766 -0.657 5.117) 6.388 20.203 ( -19.837 11.555 7.369) 24.111 22.545 ( 14.184 -6.955 -21.729) 26.865 23.685 ( -3.111 3.527 -1.348) 4.892 24.033 ( 3.751 5.887 -0.322) 6.988 ======================= Grid point 382 (194/230) ======================= q-point: ( 0.30 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 10.888 -2.156 3.333) 11.590 2.680 ( -0.236 4.005 -14.206) 14.762 2.866 ( 11.522 9.440 9.186) 17.500 3.153 ( -8.859 -0.889 -3.582) 9.597 3.481 ( -3.091 -3.878 -3.538) 6.092 3.581 ( 8.345 -3.259 -10.349) 13.688 4.199 ( -11.528 -9.075 -2.399) 14.866 4.519 ( -12.004 2.098 -0.848) 12.215 5.112 ( 7.954 1.764 14.147) 16.325 5.288 ( 10.173 1.166 8.244) 13.146 5.640 ( -1.271 0.585 -3.083) 3.386 5.864 ( -1.718 4.639 -5.020) 7.048 6.562 ( 5.076 3.281 12.910) 14.254 7.301 ( 4.038 3.655 -5.372) 7.650 7.703 ( -1.140 0.645 6.162) 6.300 7.961 ( -1.267 13.213 3.522) 13.733 8.538 ( 4.915 8.324 19.058) 21.369 9.232 ( -6.163 -13.422 -18.112) 23.370 9.706 ( 15.285 0.942 -7.509) 17.056 10.364 ( 0.428 4.541 7.519) 8.794 10.791 ( 10.052 8.594 -7.346) 15.129 11.218 ( -10.169 3.052 11.013) 15.297 11.617 ( 16.573 5.374 -3.481) 17.766 12.376 ( 8.439 8.658 -24.765) 27.559 13.896 ( -6.515 -6.321 -6.487) 11.157 14.204 ( -14.257 -5.891 8.930) 17.825 14.867 ( 5.708 0.246 5.397) 7.860 15.375 ( 0.642 -4.725 -5.023) 6.926 16.974 ( 4.082 -0.200 14.122) 14.701 18.797 ( -21.782 -3.159 -5.512) 22.690 19.027 ( -7.347 -11.751 -1.782) 13.973 19.490 ( -18.256 7.901 -1.423) 19.943 20.337 ( 21.306 -1.137 23.659) 31.859 22.607 ( -1.566 -4.225 -27.948) 28.309 23.684 ( 3.022 -0.769 2.290) 3.869 24.081 ( 1.332 3.110 -2.092) 3.978 ======================= Grid point 383 (195/230) ======================= q-point: ( 0.40 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 2.454 0.087 -12.441) 12.681 2.754 ( 8.026 -1.014 1.695) 8.265 2.917 ( -10.058 -1.381 -1.763) 10.305 3.092 ( 4.990 6.379 3.506) 8.825 3.442 ( 2.170 -4.120 3.625) 5.901 3.793 ( 13.603 -6.311 -11.017) 18.608 3.964 ( -11.967 -9.242 0.506) 15.129 4.252 ( -14.953 0.368 0.167) 14.959 5.285 ( 6.591 2.352 10.499) 12.618 5.480 ( 7.559 4.645 5.726) 10.559 5.600 ( -2.103 1.913 -3.229) 4.302 5.792 ( -4.337 5.829 -3.504) 8.066 6.722 ( 8.201 2.927 11.737) 14.614 7.269 ( -4.993 4.051 -6.020) 8.808 7.743 ( 2.432 -0.423 9.464) 9.781 7.948 ( -0.652 10.170 1.178) 10.259 8.662 ( 2.667 6.210 19.482) 20.621 9.132 ( -0.116 -13.756 -18.070) 22.710 9.945 ( 10.165 1.243 -4.068) 11.019 10.314 ( -5.524 8.187 -3.608) 10.515 10.983 ( 7.005 3.306 2.395) 8.108 11.089 ( -3.022 8.041 12.250) 14.962 11.857 ( 7.569 5.670 1.644) 9.599 12.425 ( 2.487 7.014 -29.260) 30.191 13.811 ( -0.164 -5.530 -3.203) 6.392 13.954 ( -12.396 -4.649 8.317) 15.635 14.989 ( 4.905 -1.012 7.624) 9.122 15.345 ( -2.268 -4.221 -6.173) 7.814 17.220 ( 17.391 1.448 9.540) 19.889 18.326 ( -24.141 -0.115 -8.104) 25.465 18.899 ( -3.997 -4.401 0.602) 5.976 19.163 ( -13.583 6.677 -2.474) 15.336 20.851 ( 23.110 -5.072 28.162) 36.782 22.390 ( -12.556 -3.965 -30.729) 33.432 23.788 ( 5.995 -2.398 3.457) 7.324 24.072 ( -1.664 0.919 -3.628) 4.095 ======================= Grid point 384 (196/230) ======================= q-point: (-0.50 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -12.766 -0.031 -0.113) 12.766 2.674 ( 5.835 -0.523 -5.762) 8.217 2.982 ( 3.578 -1.855 2.783) 4.898 3.079 ( 0.193 1.667 -6.255) 6.476 3.569 ( 0.910 -8.432 14.236) 16.571 3.773 ( -1.587 -6.034 -3.320) 7.068 3.932 ( -14.883 1.785 2.636) 15.220 4.051 ( 11.119 -5.418 -8.064) 14.766 5.410 ( 3.451 2.877 8.324) 9.459 5.538 ( -2.880 1.920 -3.180) 4.700 5.607 ( 3.230 6.207 5.042) 8.625 5.698 ( -3.473 6.072 -3.232) 7.705 6.927 ( 9.690 3.142 10.285) 14.476 7.123 ( -7.330 3.647 -8.318) 11.671 7.806 ( 0.979 0.077 10.060) 10.108 7.938 ( -0.343 7.036 -1.302) 7.164 8.725 ( -0.601 2.434 17.895) 18.069 9.112 ( 1.487 -11.335 -17.740) 21.105 10.011 ( -7.160 3.173 7.344) 10.737 10.240 ( 4.543 7.921 -14.331) 16.993 10.952 ( -7.538 4.362 20.759) 22.512 11.223 ( 8.595 7.693 -3.913) 12.181 11.926 ( -0.992 6.779 9.593) 11.788 12.328 ( -5.365 4.795 -26.918) 27.864 13.783 ( -6.524 -4.789 6.419) 10.329 13.887 ( 8.467 -4.264 -3.885) 10.245 15.094 ( 3.911 -2.084 8.812) 9.863 15.264 ( -4.186 -3.268 -6.962) 8.757 17.658 ( 24.266 2.131 6.981) 25.340 17.847 ( -21.630 1.889 -10.536) 24.134 18.875 ( -1.556 2.229 5.721) 6.334 18.995 ( 0.187 0.858 -5.246) 5.319 21.340 ( 19.522 -4.702 30.061) 36.151 22.000 ( -19.425 -5.764 -32.079) 37.942 23.910 ( 5.248 -1.656 3.506) 6.525 24.000 ( -4.527 -0.177 -4.713) 6.538 ======================= Grid point 385 (197/230) ======================= q-point: (-0.40 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -10.213 1.564 7.452) 12.739 2.775 ( -1.906 -0.832 -0.261) 2.096 2.893 ( 0.361 -1.852 0.257) 1.904 3.199 ( 5.340 0.418 -6.434) 8.372 3.440 ( -9.565 -6.027 7.960) 13.827 3.627 ( -13.451 2.455 0.826) 13.699 3.936 ( 10.803 -7.724 2.252) 13.470 4.254 ( 8.971 -0.622 0.724) 9.022 5.412 ( -4.175 -2.072 1.124) 4.795 5.517 ( 0.972 3.906 2.330) 4.651 5.572 ( -4.598 4.542 -1.927) 6.744 5.713 ( 2.490 7.366 2.711) 8.235 6.968 ( -5.752 3.485 -11.290) 13.142 7.124 ( 7.314 3.486 8.168) 11.505 7.794 ( -4.768 0.295 6.451) 8.027 7.948 ( 2.153 6.110 -0.960) 6.549 8.745 ( -0.614 -1.289 17.117) 17.177 9.076 ( -1.533 -6.731 -17.528) 18.838 9.800 ( -13.489 7.208 6.379) 16.571 10.351 ( 6.913 3.950 -7.040) 10.628 10.820 ( -10.504 4.337 15.859) 19.510 11.326 ( 2.659 4.584 -3.468) 6.334 11.907 ( -3.383 10.363 17.705) 20.792 12.107 ( -10.772 4.252 -22.537) 25.338 13.731 ( -0.296 -5.542 4.865) 7.380 14.098 ( 13.625 -3.977 -6.021) 15.418 15.144 ( -4.864 -2.879 -4.540) 7.250 15.188 ( 1.920 -2.432 6.117) 6.857 17.462 ( -13.616 1.908 -12.913) 18.862 18.173 ( 25.815 1.478 6.171) 26.584 18.867 ( 1.940 -4.518 3.635) 6.114 19.147 ( 13.349 5.908 -0.908) 14.626 21.486 ( -24.705 -7.534 -31.284) 40.569 21.745 ( 13.827 -3.159 29.354) 32.602 23.881 ( -6.139 -0.021 -5.025) 7.933 24.000 ( 3.043 0.082 2.884) 4.193 ======================= Grid point 386 (198/230) ======================= q-point: (-0.30 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -5.690 2.918 16.031) 17.259 2.581 ( -11.893 1.019 3.176) 12.352 3.066 ( 9.519 -1.657 3.204) 10.179 3.104 ( -9.894 5.805 -9.761) 15.062 3.291 ( -8.189 -2.969 7.980) 11.813 3.554 ( 5.790 0.796 -2.912) 6.530 4.119 ( 6.542 -8.431 4.081) 11.425 4.395 ( 4.298 4.123 10.347) 11.939 5.318 ( -4.694 -5.781 -4.144) 8.522 5.448 ( -6.309 1.864 -4.917) 8.213 5.560 ( 1.789 3.644 3.244) 5.197 5.753 ( 0.484 6.452 4.781) 8.045 6.854 ( -2.806 3.973 -14.247) 15.054 7.194 ( -3.615 1.801 4.986) 6.417 7.691 ( -5.047 2.168 6.900) 8.819 8.010 ( 4.194 7.521 -1.330) 8.713 8.811 ( 2.913 -2.443 16.338) 16.775 8.966 ( -4.893 -2.038 -15.167) 16.066 9.541 ( -14.410 6.925 6.402) 17.222 10.439 ( 2.553 2.071 -1.063) 3.455 10.633 ( -10.687 3.010 8.486) 13.974 11.327 ( -2.199 1.175 3.575) 4.358 11.798 ( -12.499 5.754 -11.692) 18.056 11.918 ( -1.792 12.946 7.548) 15.093 13.782 ( 3.839 -5.978 5.222) 8.817 14.367 ( 14.990 -4.789 -7.120) 17.272 15.004 ( -7.246 -1.368 -7.266) 10.352 15.237 ( 0.395 -3.572 7.718) 8.513 17.282 ( -1.152 0.060 -14.525) 14.571 18.679 ( 24.314 -1.928 5.575) 25.020 18.976 ( 7.283 -10.150 2.842) 12.812 19.465 ( 18.474 8.013 1.092) 20.167 20.891 ( -27.864 -6.658 -28.943) 40.724 22.011 ( 5.684 -2.212 28.140) 28.793 23.755 ( -5.045 1.875 -4.228) 6.844 24.040 ( 0.543 2.184 1.663) 2.798 ======================= Grid point 387 (199/230) ======================= q-point: (-0.20 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -6.952 2.009 15.553) 17.155 2.415 ( -6.081 8.728 13.291) 17.024 2.854 ( -9.525 8.137 -10.701) 16.475 3.111 ( -4.660 1.183 -0.325) 4.819 3.361 ( 11.160 -2.960 7.765) 13.914 3.693 ( 8.035 0.014 -5.664) 9.831 4.208 ( 1.132 -3.735 12.263) 12.869 4.481 ( 1.628 3.719 15.427) 15.952 5.211 ( -4.849 -5.926 -7.296) 10.577 5.295 ( -7.628 0.124 -8.473) 11.402 5.614 ( 2.877 0.819 2.856) 4.136 5.755 ( -1.241 4.170 4.817) 6.491 6.793 ( 0.193 5.007 -16.314) 17.066 6.996 ( -15.735 0.174 6.401) 16.988 7.678 ( 0.833 6.020 9.623) 11.381 8.095 ( 4.679 8.369 -4.073) 10.418 8.751 ( -7.254 0.141 -12.764) 14.681 8.981 ( 0.916 2.878 16.342) 16.619 9.309 ( -6.579 2.174 6.917) 9.790 10.433 ( -4.725 2.517 10.239) 11.554 10.481 ( -3.957 -1.171 -5.436) 6.825 11.202 ( -13.444 4.644 3.594) 14.671 11.609 ( -0.659 2.166 -12.087) 12.298 11.916 ( -1.147 13.737 7.482) 15.684 13.891 ( 5.510 -5.630 6.904) 10.474 14.624 ( 11.763 -6.450 -10.244) 16.879 14.845 ( -6.078 -0.075 -4.970) 7.852 15.232 ( -2.523 -3.973 6.264) 7.835 17.351 ( 11.357 -3.652 -13.691) 18.159 19.077 ( -0.501 -12.713 -0.437) 12.731 19.130 ( 19.652 -7.777 3.146) 21.368 19.769 ( 4.246 -0.227 -2.969) 5.186 20.425 ( -2.754 4.204 -14.463) 15.311 22.068 ( -6.720 -2.623 23.238) 24.332 23.688 ( -0.625 5.462 -1.603) 5.727 24.031 ( -1.605 4.381 -0.081) 4.666 ======================= Grid point 388 (200/230) ======================= q-point: (-0.10 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -4.944 5.528 12.520) 14.551 2.323 ( -8.075 12.554 12.171) 19.260 2.762 ( 2.031 6.336 -3.445) 7.493 3.033 ( -2.162 4.785 -6.019) 7.987 3.587 ( 9.275 -3.433 5.415) 11.275 3.810 ( 4.593 -0.291 -6.896) 8.291 4.265 ( 2.111 0.192 22.009) 22.111 4.535 ( 0.285 2.128 16.562) 16.701 5.097 ( -5.271 -5.049 -6.836) 10.000 5.119 ( -7.366 -0.246 -11.650) 13.785 5.675 ( 2.120 -0.802 2.963) 3.731 5.740 ( -0.478 1.446 1.233) 1.960 6.698 ( -14.490 1.734 11.304) 18.459 6.790 ( 2.682 6.258 -16.612) 17.953 7.734 ( 2.033 8.165 11.498) 14.248 8.135 ( -0.490 7.444 -7.462) 10.551 8.642 ( 1.076 2.532 -10.777) 11.123 8.824 ( -14.804 7.882 8.971) 19.020 9.467 ( 14.540 -3.156 16.279) 22.054 10.335 ( -6.116 -3.409 -0.154) 7.004 10.438 ( -0.232 0.087 0.265) 0.363 10.886 ( -15.667 10.962 -6.341) 20.145 11.672 ( 6.129 0.916 -0.354) 6.207 11.899 ( -1.278 10.797 -0.359) 10.878 14.022 ( 5.969 -4.697 8.878) 11.683 14.605 ( -6.702 -3.015 -14.949) 16.658 14.917 ( 10.107 -4.355 -0.893) 11.042 15.171 ( -4.890 -4.208 4.204) 7.700 17.646 ( 21.108 -8.802 -9.086) 24.609 18.763 ( -30.602 -18.752 -5.645) 36.332 19.445 ( 11.686 -3.760 0.438) 12.284 19.653 ( -4.299 -0.307 -2.223) 4.850 20.839 ( 35.162 3.056 -2.422) 35.378 21.848 ( -20.251 -2.849 16.044) 25.993 23.724 ( 3.932 8.692 1.487) 9.656 23.980 ( -3.288 6.176 -2.053) 7.292 ======================= Grid point 389 (201/230) ======================= q-point: ( 0.00 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 2.302 14.888 12.352) 19.482 2.491 ( -3.779 15.685 3.705) 16.554 2.950 ( 2.710 5.835 4.185) 7.675 3.163 ( 1.068 6.346 -12.637) 14.181 3.669 ( 2.413 -0.250 4.972) 5.533 3.809 ( -3.131 1.718 -7.681) 8.471 4.446 ( 10.048 -2.111 19.979) 22.462 4.629 ( 2.199 3.117 19.689) 20.055 4.802 ( -8.687 -7.684 -10.320) 15.524 5.007 ( -3.557 1.496 -10.770) 11.440 5.638 ( -2.166 -3.760 4.598) 6.323 5.751 ( 3.376 -1.854 -5.985) 7.118 6.618 ( -6.498 7.051 18.486) 20.825 7.010 ( 5.528 9.911 -17.945) 21.232 8.037 ( 0.959 11.679 13.431) 17.824 8.256 ( -1.471 12.133 -6.134) 13.675 8.757 ( -11.964 10.180 5.242) 16.560 8.862 ( 11.074 5.865 -4.946) 13.472 9.695 ( 12.550 -5.181 12.055) 18.157 9.948 ( -12.956 -9.812 -11.477) 19.896 10.660 ( 10.047 8.361 10.786) 16.947 10.894 ( -4.278 8.535 -11.221) 14.733 11.924 ( -0.967 13.730 4.412) 14.454 12.082 ( 3.148 11.102 -9.403) 14.886 14.032 ( 6.060 -9.134 11.569) 15.937 14.318 ( -7.468 -8.757 -15.001) 18.908 14.926 ( -1.169 -7.267 1.717) 7.558 14.983 ( 3.074 -6.771 -2.934) 7.994 17.566 ( -12.904 -21.776 16.595) 30.267 17.904 ( 4.651 -15.948 -15.785) 22.915 19.524 ( -3.766 -1.887 3.009) 5.176 19.599 ( 4.071 -1.083 -4.031) 5.831 21.363 ( -24.089 -0.239 6.580) 24.973 21.474 ( 28.221 -3.369 -3.849) 28.681 24.036 ( 5.168 9.373 0.679) 10.725 24.071 ( -4.248 9.289 -2.430) 10.499 ======================= Grid point 390 (202/230) ======================= q-point: ( 0.10 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -1.522 12.434 6.909) 14.306 2.587 ( 9.165 15.535 8.211) 19.818 2.997 ( 0.655 6.859 0.151) 6.892 3.152 ( 1.797 2.834 -13.616) 14.023 3.616 ( -7.777 -1.661 -0.965) 8.011 3.709 ( -4.940 1.320 -0.822) 5.179 4.560 ( -12.444 -6.597 -9.740) 17.124 4.697 ( 8.736 -8.145 14.196) 18.552 4.783 ( 8.584 6.436 20.167) 22.844 4.922 ( -2.351 3.224 -10.048) 10.811 5.623 ( 0.169 -3.400 2.306) 4.112 5.828 ( 5.357 -1.266 -5.594) 7.849 6.572 ( -2.925 7.948 17.793) 19.706 7.102 ( 8.173 7.648 -15.900) 19.445 8.001 ( -6.409 9.223 6.984) 13.226 8.286 ( 4.059 16.980 0.152) 17.459 8.603 ( -4.639 10.688 6.317) 13.254 9.099 ( 13.256 3.086 -3.975) 14.179 9.596 ( -15.486 -8.774 -8.336) 19.654 9.991 ( 11.189 -5.696 9.222) 15.579 10.853 ( 3.138 9.718 -16.011) 18.990 10.969 ( 18.626 8.740 6.096) 21.459 11.763 ( -11.264 10.896 -0.749) 15.689 12.263 ( 12.524 12.858 -7.390) 19.411 14.068 ( -6.946 -10.284 -4.470) 13.191 14.210 ( 0.839 -10.208 3.934) 10.972 14.834 ( -4.366 -3.258 -0.890) 5.520 15.102 ( 6.383 -8.815 -2.703) 11.214 17.186 ( -20.245 -10.910 16.695) 28.418 18.226 ( 20.642 -24.735 -2.460) 32.310 19.386 ( -9.853 -1.449 0.726) 9.985 19.640 ( 0.549 -0.648 -1.818) 2.007 20.870 ( -25.575 5.662 3.552) 26.434 21.995 ( 24.774 -8.524 -8.694) 27.604 23.940 ( -7.654 7.937 -2.686) 11.349 24.127 ( 3.262 8.610 -0.241) 9.210 ======================= Grid point 391 (203/230) ======================= q-point: ( 0.20 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 3.321 8.205 5.179) 10.256 2.790 ( 7.449 11.842 7.645) 15.943 2.962 ( -1.487 8.558 -7.061) 11.194 3.193 ( 4.350 -0.736 -8.948) 9.977 3.433 ( -8.563 -3.314 -6.161) 11.058 3.604 ( -5.702 -0.285 1.223) 5.839 4.276 ( -13.849 -9.318 -8.302) 18.642 4.691 ( -10.107 -9.129 2.861) 13.916 4.963 ( 9.172 5.590 10.141) 14.771 5.084 ( 13.937 5.772 8.671) 17.399 5.648 ( 1.582 -0.834 0.727) 1.930 5.913 ( 4.097 0.658 -5.146) 6.610 6.583 ( 0.154 7.065 15.577) 17.105 7.252 ( 10.074 5.349 -11.970) 16.534 7.870 ( -7.590 7.165 4.998) 11.572 8.327 ( -1.169 18.237 1.022) 18.303 8.620 ( 3.810 10.093 8.716) 13.869 9.179 ( -9.889 -10.415 -8.437) 16.657 9.468 ( 11.143 2.681 -2.164) 11.664 10.220 ( 9.753 -3.539 8.499) 13.412 10.910 ( 5.981 10.253 -16.762) 20.539 11.375 ( 20.190 5.523 -1.854) 21.014 11.542 ( -10.024 12.814 3.805) 16.708 12.480 ( 11.424 14.967 -11.687) 22.161 13.878 ( -9.073 -11.948 -9.166) 17.581 14.198 ( -5.916 -12.107 10.492) 17.078 14.800 ( 1.362 0.403 0.669) 1.570 15.197 ( 3.932 -8.909 -3.478) 10.341 16.948 ( -7.549 -3.233 17.703) 19.515 18.555 ( 10.915 -26.989 0.127) 29.113 19.155 ( -13.495 -0.222 -1.712) 13.605 19.651 ( 1.309 -1.307 2.746) 3.311 20.437 ( -17.650 10.800 4.833) 21.249 22.367 ( 15.319 -9.582 -15.511) 23.813 23.774 ( -8.037 4.608 -0.829) 9.301 24.164 ( 0.781 6.149 -1.414) 6.358 ======================= Grid point 392 (204/230) ======================= q-point: ( 0.30 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 6.564 2.711 2.595) 7.561 2.793 ( -3.062 7.127 -9.049) 11.919 3.018 ( 1.306 2.502 5.161) 5.882 3.192 ( -1.645 7.250 -3.856) 8.375 3.348 ( 1.385 -7.992 -7.267) 10.891 3.516 ( -1.321 -3.640 -2.547) 4.635 4.000 ( -12.398 -10.459 -4.229) 16.762 4.455 ( -13.648 -8.316 1.177) 16.025 5.175 ( 9.547 5.373 9.873) 14.748 5.368 ( 12.712 5.887 6.897) 15.615 5.675 ( 0.854 2.177 -0.041) 2.339 5.948 ( 0.413 3.080 -4.012) 5.075 6.658 ( 4.188 5.989 13.302) 15.178 7.399 ( 5.730 5.518 -8.312) 11.506 7.757 ( -4.437 4.012 7.064) 9.256 8.265 ( -4.365 14.593 -2.080) 15.373 8.709 ( 1.357 3.353 7.405) 8.241 8.984 ( -4.622 -4.738 -5.634) 8.692 9.749 ( 14.762 3.210 0.418) 15.112 10.389 ( 5.315 -1.221 3.221) 6.333 10.984 ( 4.520 6.599 -9.772) 12.627 11.366 ( -4.597 12.191 -0.193) 13.031 11.767 ( 16.197 9.898 2.490) 19.144 12.630 ( 6.765 15.466 -18.361) 24.942 13.703 ( -6.136 -12.471 -5.690) 15.019 14.039 ( -11.671 -9.783 9.750) 18.082 14.869 ( 4.143 -0.223 3.977) 5.747 15.237 ( 1.118 -8.400 -4.383) 9.541 16.982 ( 6.910 1.238 14.804) 16.384 18.612 ( -5.282 -14.309 -3.337) 15.613 18.882 ( -11.327 -2.508 -2.552) 11.879 19.603 ( -10.501 2.984 0.541) 10.930 20.349 ( 8.668 2.896 16.692) 19.030 22.481 ( 0.317 -7.639 -24.282) 25.457 23.670 ( -1.836 -0.629 4.014) 4.459 24.152 ( -1.514 3.370 -2.872) 4.679 ======================= Grid point 393 (205/230) ======================= q-point: ( 0.40 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 3.100 -0.577 -6.529) 7.251 2.778 ( 2.734 3.437 -0.266) 4.400 2.888 ( -8.367 -1.189 -3.119) 9.008 3.209 ( -4.300 2.242 -3.966) 6.264 3.343 ( 3.559 -3.103 6.175) 7.773 3.586 ( 5.421 -12.352 -6.748) 15.083 3.812 ( -3.678 -6.226 -0.922) 7.290 4.182 ( -14.178 -6.780 0.332) 15.719 5.370 ( 7.969 6.047 8.725) 13.274 5.599 ( 9.150 6.276 4.987) 12.165 5.672 ( -1.177 4.560 -0.806) 4.778 5.911 ( -3.233 5.113 -2.566) 6.571 6.809 ( 8.135 5.534 11.538) 15.163 7.381 ( -5.154 6.534 -7.488) 11.195 7.757 ( 1.276 1.232 11.062) 11.203 8.165 ( -4.378 8.747 -6.326) 11.649 8.722 ( 0.419 -6.208 5.378) 8.224 8.960 ( 0.720 4.602 -3.618) 5.898 9.997 ( 9.147 3.503 4.432) 10.751 10.422 ( -0.883 2.483 -7.327) 7.786 11.044 ( 1.500 2.928 10.304) 10.816 11.356 ( 3.485 15.783 -6.278) 17.340 12.013 ( 8.117 9.742 4.514) 13.460 12.632 ( -1.846 12.467 -22.604) 25.880 13.649 ( 2.215 -9.982 -2.687) 10.572 13.826 ( -11.541 -7.422 8.697) 16.246 14.958 ( 3.563 -1.991 6.055) 7.302 15.224 ( -1.206 -7.256 -5.175) 8.994 17.269 ( 18.724 3.377 10.119) 21.550 18.319 ( -20.128 -0.645 -6.477) 21.155 18.817 ( 3.760 -3.622 -1.204) 5.358 19.304 ( -17.115 6.705 -1.762) 18.465 20.727 ( 20.977 -6.296 25.523) 33.632 22.272 ( -14.058 -7.218 -29.501) 33.468 23.726 ( 5.333 -3.416 6.209) 8.869 24.092 ( -3.641 0.951 -4.554) 5.908 ======================= Grid point 394 (206/230) ======================= q-point: (-0.50 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -10.370 0.372 -0.765) 10.405 2.662 ( 4.039 -0.462 -4.495) 6.060 2.951 ( 2.224 -1.358 4.399) 5.113 3.064 ( -2.561 -3.750 -4.596) 6.461 3.416 ( -2.348 -5.300 8.310) 10.131 3.614 ( 4.384 -9.008 -7.440) 12.478 3.890 ( -4.694 -6.469 1.448) 8.123 3.947 ( 3.217 -3.231 -2.534) 5.216 5.509 ( 2.898 6.316 8.003) 10.600 5.615 ( -3.253 5.217 -1.612) 6.356 5.744 ( 3.123 6.522 4.936) 8.755 5.831 ( -2.786 6.277 -2.909) 7.459 7.018 ( 10.059 5.618 10.038) 15.281 7.223 ( -7.745 5.807 -9.260) 13.396 7.802 ( -0.764 -1.033 14.776) 14.831 8.082 ( -1.708 5.513 -8.771) 10.500 8.756 ( 0.168 -2.409 8.522) 8.857 8.957 ( 0.962 0.793 -8.561) 8.652 10.085 ( -3.083 3.909 11.990) 12.983 10.390 ( 2.232 6.164 -15.159) 16.516 11.061 ( -4.324 6.006 20.173) 21.488 11.418 ( 3.586 9.855 -12.289) 16.156 12.131 ( 3.070 12.992 11.641) 17.712 12.474 ( -8.270 8.989 -20.208) 23.612 13.652 ( -7.574 -7.570 6.778) 12.674 13.768 ( 9.785 -7.088 -4.279) 12.818 15.033 ( 2.485 -3.727 6.982) 8.295 15.172 ( -2.673 -5.543 -5.677) 8.372 17.720 ( 23.761 3.725 6.283) 24.858 17.896 ( -19.421 2.619 -9.947) 21.977 18.939 ( -1.951 3.848 3.813) 5.758 19.022 ( -0.201 1.772 -3.690) 4.098 21.209 ( 20.797 -7.664 29.059) 36.547 21.842 ( -21.843 -9.078 -30.579) 38.660 23.866 ( 6.807 -2.436 5.351) 8.994 23.992 ( -5.079 -0.642 -6.292) 8.112 ======================= Grid point 395 (207/230) ======================= q-point: (-0.40 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -7.917 2.467 6.372) 10.458 2.763 ( -1.398 0.153 2.748) 3.087 2.838 ( 0.399 -3.355 2.210) 4.037 3.196 ( 8.179 -1.233 -0.693) 8.301 3.326 ( -5.760 -4.552 2.829) 7.868 3.639 ( -7.415 -2.286 -8.466) 11.484 3.780 ( 6.064 -5.589 1.407) 8.366 4.172 ( 12.355 -7.443 1.820) 14.538 5.432 ( -9.231 4.106 2.646) 10.444 5.612 ( -0.573 4.908 3.650) 6.143 5.699 ( -3.935 7.088 -2.015) 8.353 5.851 ( 1.699 5.713 1.967) 6.276 7.059 ( -5.519 4.956 -11.559) 13.734 7.220 ( 6.371 5.678 7.643) 11.456 7.773 ( -4.992 -2.966 13.168) 14.392 8.082 ( 3.488 5.943 -4.215) 8.077 8.756 ( -0.763 2.501 6.124) 6.659 8.966 ( 0.948 -2.640 -7.060) 7.596 9.955 ( -11.374 7.252 8.584) 15.989 10.432 ( 3.755 3.617 -9.204) 10.578 10.956 ( -10.573 8.816 16.591) 21.559 11.407 ( -1.913 2.972 -8.082) 8.821 12.206 ( -2.394 15.380 9.632) 18.304 12.251 ( -6.178 11.999 -10.003) 16.799 13.571 ( -1.890 -9.718 4.855) 11.026 13.983 ( 12.913 -7.154 -6.414) 16.096 15.060 ( -2.754 -5.116 1.255) 5.944 15.120 ( 0.072 -4.034 -0.238) 4.041 17.521 ( -14.167 3.709 -13.069) 19.628 18.213 ( 23.025 2.297 3.369) 23.383 18.773 ( -5.560 -4.469 2.780) 7.656 19.278 ( 16.698 6.482 0.856) 17.933 21.302 ( -25.325 -9.517 -28.648) 39.403 21.647 ( 15.992 -6.169 29.203) 33.862 23.869 ( -4.940 -1.118 -6.939) 8.591 24.005 ( 5.569 0.266 3.322) 6.490 ======================= Grid point 396 (208/230) ======================= q-point: (-0.30 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -3.797 5.226 13.199) 14.695 2.630 ( -6.708 3.425 8.663) 11.479 3.028 ( 11.745 -1.527 3.847) 12.453 3.219 ( -3.626 0.516 0.731) 3.735 3.256 ( -5.398 4.579 -5.531) 8.983 3.552 ( 3.751 -1.622 -4.524) 6.096 3.937 ( 8.299 -8.842 0.765) 12.150 4.401 ( 9.522 -4.780 6.655) 12.562 5.236 ( -10.616 0.005 1.436) 10.713 5.516 ( -7.805 3.812 -2.575) 9.060 5.669 ( -0.326 6.075 -0.281) 6.090 5.860 ( -1.502 3.755 3.449) 5.315 6.956 ( -1.771 5.440 -14.361) 15.459 7.229 ( -8.189 1.277 7.437) 11.135 7.748 ( 1.072 2.969 10.437) 10.904 8.182 ( 6.373 7.890 1.253) 10.220 8.803 ( 4.891 2.613 3.345) 6.476 8.926 ( -3.765 -1.206 -3.471) 5.261 9.710 ( -14.854 8.610 4.289) 17.696 10.461 ( 0.216 -0.522 -4.339) 4.376 10.754 ( -12.538 9.160 12.180) 19.735 11.336 ( -3.942 -0.083 1.652) 4.275 11.973 ( -11.376 11.027 -13.943) 21.105 12.285 ( 0.030 21.655 11.802) 24.662 13.600 ( 3.432 -11.687 4.876) 13.120 14.223 ( 13.011 -9.238 -8.014) 17.856 14.962 ( -5.822 -2.791 -3.732) 7.457 15.137 ( -0.145 -5.815 4.002) 7.061 17.300 ( -4.772 2.034 -14.523) 15.421 18.547 ( 7.913 -11.751 2.699) 14.422 18.833 ( 12.440 -2.554 1.758) 12.821 19.606 ( 14.946 5.176 0.487) 15.824 20.761 ( -21.486 -4.722 -22.501) 31.468 21.942 ( 6.509 -4.423 26.422) 27.570 23.784 ( -1.430 0.741 -6.447) 6.645 24.099 ( 3.394 3.195 1.932) 5.046 ======================= Grid point 397 (209/230) ======================= q-point: (-0.20 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -3.274 9.247 11.826) 15.365 2.594 ( -0.742 7.631 17.986) 19.552 3.058 ( -9.313 10.744 -9.025) 16.841 3.169 ( -0.348 4.673 -5.013) 6.862 3.292 ( 11.791 -2.438 6.545) 13.705 3.682 ( 8.352 -1.611 -4.570) 9.656 4.095 ( 6.967 -7.402 6.640) 12.141 4.552 ( 2.828 1.432 14.499) 14.841 5.052 ( -7.322 -6.379 -3.267) 10.246 5.336 ( -9.043 2.960 -6.917) 11.764 5.660 ( -0.499 2.780 0.238) 2.835 5.814 ( -3.610 1.357 2.779) 4.754 6.915 ( -0.688 5.303 -11.158) 12.373 7.012 ( -12.050 2.533 6.101) 13.742 7.835 ( 4.428 8.556 9.379) 13.445 8.301 ( 4.468 10.300 1.331) 11.306 8.785 ( -5.768 3.048 -6.530) 9.230 8.995 ( 9.537 -0.479 9.347) 13.362 9.421 ( -14.066 7.880 2.429) 16.305 10.400 ( -5.567 -5.631 -8.431) 11.566 10.570 ( -8.142 9.784 15.080) 19.734 11.248 ( -7.381 -0.269 5.955) 9.488 11.777 ( -3.451 13.478 -13.076) 19.093 12.271 ( -3.639 20.422 6.151) 21.636 13.715 ( 6.513 -11.566 6.704) 14.871 14.432 ( 9.646 -12.206 -11.153) 19.142 14.837 ( -5.203 -0.808 -2.500) 5.829 15.120 ( -2.562 -6.653 3.215) 7.821 17.270 ( 4.869 -3.349 -11.944) 13.326 18.575 ( -5.700 -27.377 -2.000) 28.036 19.136 ( 15.680 1.386 -0.133) 15.742 19.733 ( -3.342 -2.718 -4.730) 6.398 20.550 ( 7.833 7.355 -6.430) 12.522 21.995 ( -6.789 -4.170 19.475) 21.042 23.800 ( 4.181 4.793 -3.195) 7.117 24.145 ( 0.933 6.021 0.436) 6.108 ======================= Grid point 398 (210/230) ======================= q-point: (-0.10 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -0.250 13.494 10.797) 17.284 2.595 ( -5.425 12.629 14.213) 19.772 2.917 ( -1.633 8.342 -2.687) 8.915 3.163 ( 1.235 6.815 -8.969) 11.332 3.526 ( 9.982 -0.888 4.787) 11.106 3.811 ( 5.067 0.230 -7.618) 9.152 4.245 ( 6.197 -3.528 16.792) 18.243 4.588 ( -1.912 3.821 20.309) 20.754 4.939 ( -3.883 -9.302 -8.226) 13.010 5.145 ( -7.931 2.288 -10.190) 13.114 5.656 ( -0.321 -1.336 2.322) 2.699 5.750 ( -2.392 -0.704 -1.537) 2.929 6.753 ( -11.492 3.528 16.052) 20.054 6.961 ( 3.824 9.986 -17.824) 20.785 7.946 ( 4.298 11.465 11.004) 16.462 8.323 ( -2.336 9.741 -2.389) 10.298 8.726 ( 2.905 5.474 -5.370) 8.200 9.008 ( -12.738 9.137 5.334) 16.559 9.398 ( 12.370 -2.853 9.076) 15.606 10.211 ( -10.618 -8.008 -10.669) 17.050 10.531 ( 0.408 8.305 14.216) 16.469 11.064 ( -10.333 4.724 -2.874) 11.719 11.803 ( 6.825 12.379 -3.645) 14.598 12.179 ( -6.193 16.463 -0.710) 17.604 13.871 ( 7.340 -10.102 9.176) 15.496 14.473 ( -2.980 -10.654 -15.721) 19.223 14.822 ( 4.670 -4.068 0.855) 6.252 15.054 ( -4.574 -6.745 1.395) 8.268 17.423 ( 12.025 -11.795 -4.331) 17.392 18.268 ( -22.839 -26.709 -7.838) 36.006 19.409 ( 11.799 -0.221 -1.241) 11.866 19.625 ( -4.038 -2.096 -0.777) 4.616 20.919 ( 26.222 4.367 -0.911) 26.599 21.779 ( -18.386 -3.495 11.806) 22.128 23.911 ( 6.752 8.427 -0.182) 10.800 24.137 ( -1.739 8.187 -1.018) 8.431 ======================= Grid point 399 (211/230) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -0.358 12.700 13.430) 18.487 2.823 ( 0.036 16.065 2.323) 16.232 3.056 ( 1.474 4.268 2.812) 5.319 3.220 ( -0.884 -0.196 -8.007) 8.058 3.721 ( -0.038 3.984 4.892) 6.309 3.889 ( -0.686 5.646 -9.590) 11.150 4.326 ( 8.597 -7.675 15.631) 19.420 4.608 ( -5.184 -9.372 -5.160) 11.888 4.767 ( 1.499 8.216 13.194) 15.615 5.062 ( -3.117 3.227 -9.213) 10.248 5.526 ( -3.315 -7.117 6.985) 10.508 5.696 ( 3.037 -3.197 -8.701) 9.755 6.769 ( -4.472 6.989 21.413) 22.964 7.220 ( 4.103 9.773 -20.216) 22.826 8.239 ( -0.412 7.756 12.587) 14.790 8.479 ( 2.987 7.348 -9.545) 12.410 8.919 ( -5.112 7.065 11.131) 14.140 9.055 ( 3.517 11.782 -1.523) 12.390 9.597 ( 12.642 -4.624 4.973) 14.351 9.762 ( -13.758 -8.001 -10.014) 18.803 10.819 ( 8.150 6.614 10.427) 14.795 10.989 ( -1.974 1.469 -5.382) 5.918 12.290 ( 1.867 20.333 0.225) 20.419 12.365 ( -1.711 16.279 -5.817) 17.372 13.792 ( 6.224 -13.785 10.436) 18.375 14.055 ( -6.998 -16.676 -13.919) 22.821 14.783 ( 1.235 -5.950 2.358) 6.519 14.865 ( -0.109 -4.312 -5.341) 6.865 17.163 ( -10.156 -16.273 19.954) 27.679 17.591 ( 3.690 -13.316 -20.835) 25.001 19.494 ( -4.258 -1.062 3.200) 5.431 19.578 ( 4.624 -0.834 -4.862) 6.762 21.366 ( -18.730 0.384 4.347) 19.231 21.424 ( 20.859 -1.588 -1.152) 20.951 24.194 ( 4.276 6.005 1.175) 7.465 24.235 ( -3.467 6.103 -2.479) 7.444 ======================= Grid point 400 (212/230) ======================= q-point: ( 0.10 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -3.482 12.353 8.152) 15.205 2.909 ( 6.329 14.955 6.172) 17.372 3.107 ( 2.031 2.903 4.805) 5.970 3.164 ( -2.454 -0.503 -11.078) 11.358 3.649 ( -7.240 3.911 2.040) 8.478 3.771 ( -8.066 4.700 -5.860) 11.023 4.338 ( -12.167 -12.980 -3.260) 18.087 4.533 ( 0.517 -8.201 2.037) 8.466 4.929 ( 9.376 7.625 18.244) 21.883 5.034 ( 3.243 6.613 -8.214) 11.032 5.529 ( 2.211 -5.806 5.392) 8.226 5.780 ( 6.774 -3.226 -6.876) 10.178 6.741 ( -3.444 7.854 20.031) 21.789 7.259 ( 5.315 7.014 -19.274) 21.189 8.190 ( -7.108 8.833 7.090) 13.372 8.543 ( 5.501 4.917 -7.397) 10.448 8.824 ( -4.127 11.436 7.558) 14.316 9.200 ( 3.987 6.732 1.582) 7.982 9.463 ( -8.490 -3.198 -5.177) 10.446 9.882 ( 13.223 -5.392 3.987) 14.826 10.980 ( 3.866 3.688 -10.049) 11.381 11.091 ( 15.943 2.832 2.871) 16.445 12.110 ( -9.950 21.703 -2.376) 23.993 12.565 ( 13.066 15.525 -2.193) 20.410 13.809 ( -8.747 -14.719 -6.192) 18.207 13.937 ( -0.050 -15.565 4.478) 16.197 14.779 ( -0.267 -2.530 -0.594) 2.613 14.920 ( 4.919 -7.820 -3.028) 9.722 16.979 ( -10.491 -8.545 20.022) 24.165 17.764 ( 14.831 -18.832 -9.868) 25.923 19.369 ( -8.902 -0.415 1.517) 9.040 19.620 ( 0.793 -1.043 -3.112) 3.376 20.977 ( -19.779 4.524 2.659) 20.464 21.845 ( 20.752 -5.839 -4.149) 21.953 24.081 ( -9.625 5.454 -2.561) 11.355 24.271 ( 1.554 5.244 0.035) 5.470 ======================= Grid point 401 (213/230) ======================= q-point: ( 0.20 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -1.067 10.674 4.839) 11.768 3.034 ( 2.653 11.017 11.032) 15.815 3.072 ( -4.014 1.282 -10.858) 11.647 3.155 ( 2.378 -1.408 -0.062) 2.765 3.490 ( -7.121 8.618 -5.563) 12.487 3.593 ( -8.698 -0.722 -2.452) 9.066 4.038 ( -15.272 -13.446 -6.267) 21.291 4.444 ( -9.512 -13.195 0.705) 16.281 5.126 ( 8.337 8.720 8.453) 14.731 5.219 ( 13.596 6.839 5.434) 16.161 5.615 ( 4.761 -2.442 3.746) 6.532 5.900 ( 6.254 -1.890 -5.348) 8.443 6.738 ( -0.855 7.485 16.435) 18.079 7.354 ( 8.805 4.071 -16.870) 19.461 8.022 ( -10.374 7.157 4.884) 13.517 8.589 ( -2.617 1.661 -8.885) 9.411 8.779 ( -3.059 8.757 8.893) 12.850 9.088 ( -5.257 2.092 -3.141) 6.472 9.566 ( 12.266 7.279 5.320) 15.223 10.140 ( 11.927 -4.550 2.571) 13.022 11.030 ( 2.999 2.377 -9.644) 10.376 11.425 ( 16.474 1.699 -8.517) 18.623 11.971 ( -2.497 25.327 2.848) 25.608 12.808 ( 12.041 15.650 -4.381) 20.227 13.583 ( -10.799 -16.103 -9.695) 21.678 13.923 ( -4.172 -14.250 9.310) 17.526 14.799 ( 2.151 -0.719 0.739) 2.385 15.003 ( 3.978 -9.058 -3.171) 10.389 16.904 ( -1.292 -0.840 19.521) 19.582 18.053 ( 15.272 -20.860 -4.359) 26.218 19.152 ( -13.487 -0.108 -0.566) 13.499 19.625 ( 0.650 -1.165 1.076) 1.714 20.633 ( -15.535 7.940 3.494) 17.793 22.183 ( 14.644 -7.731 -9.871) 19.279 23.855 ( -12.190 3.012 -1.459) 12.641 24.268 ( -1.575 3.826 -1.014) 4.260 ======================= Grid point 402 (214/230) ======================= q-point: ( 0.30 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 0.553 6.290 1.623) 6.520 2.950 ( -4.577 5.787 -10.230) 12.613 3.030 ( -5.744 2.113 5.233) 8.053 3.196 ( 1.445 -5.192 -2.175) 5.811 3.391 ( -5.386 3.488 -6.530) 9.155 3.425 ( -4.028 0.998 -1.280) 4.343 3.774 ( -9.421 -11.283 -0.577) 14.710 4.224 ( -11.822 -12.969 -1.047) 17.580 5.324 ( 9.410 8.152 8.345) 14.988 5.493 ( 12.436 5.701 5.439) 14.722 5.710 ( 3.847 1.117 2.541) 4.744 5.980 ( 2.731 -0.019 -3.645) 4.555 6.798 ( 3.716 7.276 12.742) 15.137 7.501 ( 8.545 3.749 -13.330) 16.272 7.841 ( -8.628 3.592 5.235) 10.712 8.399 ( -11.477 -4.726 -11.034) 16.607 8.705 ( -5.802 5.666 12.549) 14.941 9.114 ( 5.190 10.004 -5.906) 12.724 9.841 ( 13.159 5.870 8.185) 16.571 10.340 ( 7.883 -3.433 -1.178) 8.679 11.049 ( 1.037 1.132 -0.160) 1.543 11.614 ( 6.355 9.540 -16.976) 20.484 12.068 ( 9.407 19.552 6.907) 22.770 12.972 ( 4.456 17.159 -11.046) 20.888 13.391 ( -4.891 -17.788 -4.489) 18.987 13.822 ( -7.997 -11.126 8.881) 16.328 14.854 ( 2.726 -1.260 2.866) 4.151 15.054 ( 2.047 -8.650 -3.773) 9.657 17.030 ( 9.827 3.320 16.249) 19.277 18.309 ( 10.835 -13.815 -3.182) 17.843 18.856 ( -15.047 -0.642 -2.529) 15.272 19.625 ( -3.676 -0.210 2.440) 4.417 20.445 ( -2.774 5.574 10.665) 12.349 22.319 ( 1.234 -7.460 -19.733) 21.133 23.656 ( -6.500 -0.730 3.891) 7.611 24.209 ( -3.849 2.168 -2.766) 5.212 ======================= Grid point 403 (215/230) ======================= q-point: ( 0.40 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 0.374 0.998 -2.908) 3.097 2.863 ( -9.851 2.291 -3.031) 10.558 2.891 ( 0.570 3.457 -5.792) 6.770 3.108 ( -10.344 -7.922 1.308) 13.094 3.324 ( 4.350 -7.855 -7.442) 11.662 3.409 ( -2.229 0.676 2.045) 3.099 3.697 ( 0.857 -4.269 3.564) 5.627 4.009 ( -9.262 -9.195 -2.479) 13.285 5.515 ( 7.801 7.353 8.201) 13.497 5.706 ( 6.993 3.746 3.751) 8.775 5.773 ( 2.699 4.947 1.582) 5.854 5.985 ( -1.414 1.964 -2.036) 3.162 6.943 ( 8.131 7.171 10.301) 14.955 7.519 ( -5.423 6.396 -8.806) 12.160 7.776 ( 0.485 0.324 7.310) 7.333 8.178 ( -6.688 -7.602 -14.104) 17.363 8.657 ( -2.075 3.093 16.233) 16.655 9.156 ( 0.469 10.286 -12.192) 15.958 10.075 ( 7.343 3.843 11.833) 14.446 10.441 ( 4.229 -0.122 -7.951) 9.007 11.105 ( 3.045 2.823 12.879) 13.532 11.649 ( 1.639 11.688 -17.145) 20.815 12.266 ( 8.149 14.695 6.649) 18.071 12.881 ( -8.427 9.737 -14.699) 19.542 13.431 ( 7.684 -9.824 -1.273) 12.537 13.667 ( -9.505 -7.832 8.080) 14.730 14.910 ( 2.091 -2.526 4.138) 5.279 15.068 ( 0.366 -7.363 -4.276) 8.523 17.352 ( 19.377 4.388 10.383) 22.417 18.299 ( -14.135 -1.308 -4.077) 14.770 18.753 ( 9.441 -2.482 -2.577) 10.096 19.421 ( -16.411 4.399 -1.144) 17.029 20.621 ( 15.070 -3.619 22.396) 27.236 22.115 ( -15.422 -7.504 -27.716) 32.593 23.658 ( 4.573 -2.950 7.992) 9.669 24.108 ( -5.527 0.544 -5.124) 7.556 ======================= Grid point 404 (216/230) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -3.675 -1.382 0.393) 3.946 2.669 ( -2.422 0.711 -5.157) 5.742 2.909 ( -7.474 -3.188 4.544) 9.310 2.976 ( 5.125 -2.319 -0.748) 5.674 3.338 ( -4.346 -3.556 0.445) 5.633 3.434 ( 7.633 -7.759 -7.604) 13.278 3.769 ( 2.570 -3.994 5.169) 7.020 3.870 ( -2.254 -4.294 -4.474) 6.598 5.643 ( 2.013 6.201 7.675) 10.070 5.727 ( -2.399 5.107 0.042) 5.643 5.859 ( 2.302 4.536 4.036) 6.493 5.935 ( -1.808 3.611 -2.329) 4.662 7.148 ( 9.613 6.724 9.136) 14.869 7.345 ( -8.073 5.673 -9.200) 13.490 7.762 ( -5.684 -2.392 14.400) 15.664 8.105 ( 2.709 -3.506 -17.075) 17.640 8.702 ( 2.019 -0.190 18.974) 19.082 9.088 ( -2.886 8.251 -16.438) 18.618 10.160 ( -1.974 3.110 15.677) 16.104 10.489 ( 3.307 3.604 -13.847) 14.685 11.189 ( 0.217 6.132 20.264) 21.172 11.588 ( -3.960 6.518 -16.584) 18.254 12.429 ( 7.268 14.826 9.493) 19.047 12.661 ( -9.757 8.293 -12.425) 17.843 13.497 ( -8.658 -6.813 7.040) 13.074 13.614 ( 10.148 -7.477 -3.501) 13.082 14.950 ( 0.813 -4.049 4.522) 6.124 15.053 ( -0.617 -5.553 -4.679) 7.288 17.800 ( 22.813 3.866 4.627) 23.596 17.944 ( -16.694 1.852 -8.507) 18.828 19.023 ( -0.593 3.983 1.733) 4.384 19.065 ( -2.035 2.196 -1.977) 3.588 21.048 ( 20.809 -7.401 28.225) 35.839 21.656 ( -23.088 -8.351 -29.010) 38.005 23.817 ( 8.636 -2.121 7.015) 11.327 23.976 ( -6.073 -0.819 -7.751) 9.880 ======================= Grid point 405 (217/230) ======================= q-point: (-0.40 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -4.387 2.850 5.615) 7.675 2.763 ( -1.011 -3.616 4.775) 6.074 2.792 ( 3.762 2.204 4.889) 6.550 3.126 ( 8.573 -5.533 1.787) 10.358 3.271 ( -1.467 -0.514 -3.379) 3.720 3.547 ( 4.224 -4.586 -9.826) 11.637 3.735 ( -1.501 -0.337 -0.868) 1.766 3.978 ( 9.734 -10.303 1.233) 14.228 5.552 ( -10.272 6.689 3.413) 12.724 5.701 ( -3.235 3.409 3.679) 5.968 5.835 ( -2.533 5.689 -0.870) 6.288 5.936 ( -0.154 2.485 0.815) 2.620 7.160 ( -5.826 4.876 -8.648) 11.512 7.335 ( 1.954 4.565 6.690) 8.331 7.685 ( -1.943 -4.360 13.256) 14.089 8.168 ( 6.515 2.250 -9.952) 12.106 8.791 ( 1.959 0.242 17.100) 17.213 9.009 ( -1.100 5.850 -13.874) 15.097 10.081 ( -9.265 4.813 12.358) 16.178 10.494 ( 0.221 2.422 -12.975) 13.201 11.160 ( -8.509 10.282 17.604) 22.092 11.448 ( -6.018 1.092 -7.839) 9.943 12.436 ( -9.236 10.842 -8.551) 16.612 12.618 ( 7.740 17.608 9.158) 21.303 13.362 ( -6.002 -9.348 4.881) 12.134 13.809 ( 10.457 -9.894 -5.071) 15.263 14.952 ( -1.863 -4.921 3.130) 6.123 15.032 ( -0.282 -4.321 -3.866) 5.805 17.605 ( -13.048 4.181 -12.845) 18.781 18.260 ( 18.592 2.079 -0.542) 18.715 18.689 ( -12.807 -3.541 3.248) 13.679 19.398 ( 17.342 4.915 1.220) 18.066 21.130 ( -22.813 -6.650 -25.730) 35.024 21.510 ( 18.296 -6.581 29.137) 35.029 23.842 ( -4.354 -1.302 -8.904) 9.997 24.006 ( 8.224 -0.172 4.102) 9.192 ======================= Grid point 406 (218/230) ======================= q-point: (-0.30 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 1.802 8.441 10.982) 13.968 2.688 ( -3.878 1.691 11.594) 12.341 3.003 ( 10.690 -1.245 5.992) 12.318 3.261 ( 4.361 4.802 -3.565) 7.402 3.320 ( 7.140 -2.510 -0.018) 7.568 3.513 ( -2.724 1.386 -8.616) 9.142 3.790 ( 6.234 -5.212 -3.251) 8.752 4.202 ( 12.272 -13.385 2.158) 18.287 5.321 ( -13.730 6.881 4.588) 16.028 5.584 ( -8.530 2.624 0.357) 8.932 5.783 ( -2.939 4.602 -1.775) 5.742 5.900 ( -3.806 0.168 1.587) 4.127 7.056 ( -2.964 3.987 -7.767) 9.221 7.240 ( -9.827 -0.188 7.098) 12.124 7.806 ( 8.689 2.784 9.116) 12.897 8.309 ( 9.176 4.627 -2.574) 10.594 8.856 ( 0.835 -0.154 14.199) 14.224 8.968 ( -0.351 6.206 -10.183) 11.930 9.870 ( -14.129 6.679 7.080) 17.157 10.431 ( -4.097 -1.764 -10.397) 11.314 10.973 ( -12.204 10.873 11.569) 20.025 11.331 ( -6.168 -0.374 5.437) 8.231 12.242 ( -7.781 14.939 -9.524) 19.350 12.752 ( 2.078 22.821 8.679) 24.504 13.315 ( 1.050 -15.578 3.684) 16.042 13.990 ( 9.379 -13.533 -6.960) 17.876 14.895 ( -4.062 -3.379 0.851) 5.352 15.018 ( -0.753 -5.286 -2.313) 5.819 17.374 ( -7.303 5.198 -15.203) 17.649 18.264 ( -11.051 -14.298 1.030) 18.100 18.823 ( 18.466 0.516 0.124) 18.474 19.669 ( 8.347 1.232 -1.377) 8.549 20.720 ( -11.294 0.474 -15.860) 19.476 21.844 ( 8.081 -4.634 24.711) 26.409 23.787 ( 1.590 -0.249 -7.973) 8.134 24.155 ( 6.134 2.064 2.222) 6.843 ======================= Grid point 407 (219/230) ======================= q-point: (-0.20 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 1.659 13.901 7.716) 15.985 2.701 ( 2.000 3.173 19.608) 19.963 3.161 ( 3.719 -2.867 0.636) 4.738 3.289 ( -6.023 10.136 -5.913) 13.190 3.415 ( 10.388 12.249 -3.407) 16.419 3.599 ( 11.043 -6.512 0.244) 12.823 3.928 ( 8.145 -7.766 0.731) 11.278 4.441 ( 10.737 -12.090 3.136) 16.470 5.060 ( -13.612 6.558 5.282) 16.006 5.393 ( -10.163 2.335 -2.761) 10.787 5.704 ( -4.995 0.953 0.619) 5.123 5.808 ( -5.093 -1.593 -1.559) 5.559 6.956 ( -8.772 0.156 12.854) 15.563 7.131 ( 1.268 7.084 -13.118) 14.963 7.997 ( 8.237 6.632 8.577) 13.616 8.471 ( 5.579 5.947 0.639) 8.179 8.837 ( -3.852 0.574 8.243) 9.117 9.026 ( 8.194 4.281 -3.099) 9.751 9.588 ( -15.345 7.727 4.597) 17.785 10.280 ( -8.765 -5.432 -10.865) 14.979 10.792 ( -8.577 10.752 13.598) 19.341 11.218 ( -7.253 -2.213 8.167) 11.144 12.118 ( -1.774 19.103 -9.440) 21.382 12.717 ( -6.365 22.083 3.658) 23.271 13.425 ( 8.056 -16.100 5.728) 18.893 14.130 ( 6.420 -17.176 -9.807) 20.794 14.811 ( -4.310 -1.647 0.752) 4.675 14.983 ( -2.269 -6.011 -2.525) 6.903 17.246 ( -2.762 1.538 -10.493) 10.959 18.038 ( -12.055 -24.033 -4.342) 27.235 19.165 ( 15.773 1.294 -2.034) 15.956 19.676 ( -4.730 -2.510 -3.858) 6.599 20.699 ( 10.259 6.574 -3.085) 12.569 21.912 ( -5.946 -3.662 15.852) 17.322 23.876 ( 8.231 2.596 -3.471) 9.302 24.252 ( 3.295 4.058 0.529) 5.254 ======================= Grid point 408 (220/230) ======================= q-point: (-0.10 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 1.490 14.341 9.413) 17.219 2.804 ( 2.129 8.190 16.339) 18.400 3.100 ( -5.748 8.647 -7.048) 12.549 3.234 ( 0.679 0.422 -3.330) 3.425 3.619 ( 8.979 8.042 1.193) 12.112 3.814 ( 9.734 1.026 -6.327) 11.655 4.111 ( 8.998 -8.262 11.910) 17.061 4.603 ( 4.207 -8.310 5.897) 11.024 4.842 ( -8.984 5.331 3.097) 10.896 5.196 ( -8.432 2.247 -5.826) 10.492 5.603 ( -5.587 -4.278 5.564) 8.971 5.715 ( -2.689 -2.141 -7.548) 8.294 6.830 ( -7.193 3.577 20.012) 21.564 7.173 ( 5.402 10.002 -19.581) 22.641 8.157 ( 5.475 8.282 10.993) 14.813 8.487 ( -1.679 5.436 -3.396) 6.626 8.852 ( 3.676 6.291 5.775) 9.298 9.166 ( -2.097 5.418 3.215) 6.640 9.380 ( 0.985 1.761 3.354) 3.914 10.048 ( -12.082 -7.213 -11.286) 18.038 10.723 ( -1.272 9.384 13.711) 16.663 11.088 ( -6.973 -1.470 2.616) 7.591 12.146 ( 6.219 19.795 -5.444) 21.451 12.555 ( -9.880 19.217 -1.168) 21.640 13.615 ( 8.988 -14.206 8.243) 18.723 14.168 ( -0.432 -18.489 -12.992) 22.602 14.758 ( -0.754 -2.404 1.959) 3.192 14.921 ( -3.123 -5.582 -3.713) 7.396 17.213 ( -0.274 -7.771 2.583) 8.194 17.761 ( -13.065 -21.386 -13.942) 28.678 19.418 ( 10.492 0.767 -2.906) 10.915 19.580 ( -3.677 -2.021 0.288) 4.205 21.005 ( 19.560 3.717 0.191) 19.911 21.716 ( -15.911 -2.498 8.210) 18.078 24.051 ( 8.995 5.122 -0.040) 10.351 24.282 ( -0.255 5.559 -0.903) 5.638 ======================= Grid point 409 (221/230) ======================= q-point: ( 0.00 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( -0.674 4.784 16.337) 17.037 3.088 ( 3.482 5.483 5.477) 8.496 3.128 ( -2.791 5.177 -6.956) 9.109 3.203 ( -0.807 -0.907 -5.800) 5.925 3.763 ( -0.367 -0.158 12.766) 12.772 3.987 ( 0.020 2.205 -5.812) 6.216 4.234 ( 2.826 0.751 4.667) 5.507 4.416 ( 1.473 -8.030 -8.286) 11.632 4.951 ( 0.417 7.688 9.585) 12.294 5.115 ( -1.464 1.346 -5.064) 5.441 5.369 ( -4.123 -6.604 11.959) 14.270 5.639 ( 2.155 -1.787 -11.893) 12.218 6.877 ( -2.971 2.957 23.351) 23.724 7.373 ( 2.671 4.294 -22.161) 22.731 8.359 ( 1.944 3.922 8.414) 9.485 8.525 ( 0.376 -1.151 -6.824) 6.930 9.060 ( -3.343 4.853 17.253) 18.232 9.295 ( 5.584 11.093 -0.452) 12.427 9.485 ( 11.994 -7.058 0.071) 13.917 9.635 ( -14.660 -3.745 -10.682) 18.521 10.919 ( 4.612 3.045 6.822) 8.779 10.989 ( 0.370 -0.840 0.447) 1.021 12.662 ( 6.352 13.414 0.383) 14.847 12.695 ( -6.874 11.971 -2.208) 13.979 13.531 ( 4.681 -8.561 4.481) 10.737 13.696 ( -4.267 -14.978 -10.831) 18.970 14.700 ( -0.235 -2.055 3.001) 3.645 14.808 ( 0.242 -1.397 -7.344) 7.480 16.933 ( -9.460 -5.823 20.869) 23.641 17.397 ( 3.963 -5.006 -23.366) 24.223 19.480 ( -4.306 -0.312 3.134) 5.335 19.566 ( 4.556 -0.309 -5.139) 6.875 21.374 ( -16.749 0.315 3.105) 17.037 21.404 ( 17.837 -0.484 0.340) 17.847 24.278 ( 5.239 2.095 1.252) 5.780 24.315 ( -4.499 1.887 -2.082) 5.305 ======================= Grid point 410 (222/230) ======================= q-point: ( 0.10 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( -3.275 6.319 12.243) 14.161 3.087 ( -1.400 -1.109 -4.686) 5.015 3.112 ( -0.804 1.651 1.530) 2.390 3.243 ( 4.841 6.996 -0.021) 8.508 3.700 ( -7.633 0.370 10.569) 13.042 3.887 ( -7.904 4.873 -7.524) 11.951 4.111 ( -13.559 -7.046 -2.598) 15.500 4.378 ( -4.900 -5.545 -7.749) 10.715 5.079 ( 9.113 6.024 11.754) 16.046 5.148 ( 5.536 3.306 -1.988) 6.747 5.405 ( 4.718 -5.043 9.831) 12.014 5.715 ( 7.472 -2.349 -9.376) 12.217 6.863 ( -3.600 3.399 21.616) 22.176 7.365 ( 2.797 2.855 -21.913) 22.275 8.354 ( -7.298 6.916 2.826) 10.444 8.515 ( 2.448 -4.972 -1.347) 5.704 9.018 ( -2.883 5.709 7.268) 9.682 9.284 ( -11.672 0.420 -8.952) 14.716 9.526 ( 9.169 8.408 7.566) 14.560 9.751 ( 14.545 -7.404 -2.153) 16.462 11.023 ( 2.722 0.824 -4.131) 5.015 11.118 ( 14.791 0.461 0.162) 14.799 12.567 ( -5.159 20.280 -1.986) 21.020 12.805 ( 7.520 3.662 1.745) 8.544 13.533 ( -6.373 -7.743 -7.097) 12.286 13.625 ( 0.772 -13.198 1.473) 13.302 14.722 ( 1.628 -2.281 2.807) 3.967 14.822 ( 2.719 -1.842 -5.919) 6.769 16.857 ( -3.574 -3.103 23.803) 24.269 17.496 ( 11.017 -6.817 -16.263) 20.793 19.365 ( -8.503 -0.084 2.032) 8.743 19.604 ( 0.855 -0.457 -3.726) 3.850 21.044 ( -16.622 1.749 2.161) 16.852 21.763 ( 17.959 -2.045 -1.699) 18.155 24.156 ( -10.760 1.846 -2.878) 11.291 24.341 ( 0.717 1.660 0.734) 1.952 ======================= Grid point 411 (223/230) ======================= q-point: ( 0.20 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -3.064 6.885 7.426) 10.580 3.024 ( -2.690 -3.310 -7.944) 9.017 3.107 ( -0.791 0.010 1.253) 1.482 3.316 ( -0.139 10.803 9.069) 14.106 3.551 ( -9.589 -1.392 2.304) 9.959 3.692 ( -7.754 2.006 -11.952) 14.387 3.791 ( -16.190 -4.037 -0.854) 16.707 4.192 ( -11.111 -9.862 -6.590) 16.252 5.279 ( 8.179 5.253 8.719) 13.058 5.335 ( 12.243 3.280 4.975) 13.616 5.559 ( 8.184 -2.274 5.720) 10.241 5.851 ( 7.625 -2.004 -6.652) 10.315 6.860 ( -0.785 3.591 17.104) 17.495 7.406 ( 6.983 1.090 -21.304) 22.445 8.140 ( -13.002 3.641 2.014) 13.652 8.509 ( -6.880 -4.110 0.465) 8.027 8.950 ( -5.910 5.077 6.084) 9.886 9.143 ( 2.623 1.521 -9.704) 10.167 9.751 ( 10.230 8.870 13.368) 19.028 10.026 ( 13.946 -6.065 -4.898) 15.977 11.048 ( 0.652 0.081 -3.202) 3.269 11.457 ( 19.203 1.040 -9.863) 21.612 12.497 ( -1.526 24.416 -0.601) 24.471 12.945 ( 5.634 -10.034 1.823) 11.651 13.380 ( -6.095 4.295 -8.157) 11.051 13.628 ( -1.548 -14.206 4.111) 14.869 14.770 ( 2.395 -1.634 2.876) 4.084 14.873 ( 3.388 -2.962 -4.600) 6.435 16.908 ( 3.251 0.631 23.207) 23.442 17.744 ( 17.134 -8.279 -9.785) 21.398 19.150 ( -13.704 -0.048 0.166) 13.705 19.607 ( 0.486 -0.462 0.184) 0.695 20.748 ( -13.970 3.023 2.863) 14.577 22.070 ( 13.524 -2.962 -6.579) 15.328 23.895 ( -14.510 0.952 -2.045) 14.685 24.319 ( -2.715 1.229 -0.509) 3.024 ======================= Grid point 412 (224/230) ======================= q-point: ( 0.30 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -4.052 5.408 3.054) 7.416 2.962 ( -1.400 -1.871 -9.105) 9.400 3.067 ( -4.022 -0.077 -0.888) 4.120 3.239 ( -11.992 1.049 -3.948) 12.669 3.296 ( -9.456 4.154 -0.045) 10.328 3.511 ( -10.461 -9.560 6.307) 15.511 3.653 ( 1.514 7.252 -3.904) 8.374 3.969 ( -9.142 -10.552 -4.971) 14.820 5.465 ( 8.495 4.541 8.974) 13.165 5.576 ( 10.603 1.894 5.169) 11.947 5.725 ( 7.390 0.520 2.886) 7.951 5.959 ( 4.368 -1.261 -3.964) 6.032 6.926 ( 4.078 4.106 12.466) 13.744 7.536 ( 10.813 0.051 -19.612) 22.396 7.892 ( -12.404 1.280 1.609) 12.573 8.280 ( -14.248 -3.593 1.662) 14.788 8.831 ( -7.397 3.836 10.246) 13.207 9.262 ( 8.463 3.722 -15.211) 17.800 9.972 ( 8.431 5.520 16.641) 19.454 10.257 ( 11.118 -3.781 -7.352) 13.855 11.060 ( 1.490 0.165 4.517) 4.759 11.744 ( 11.839 3.235 -17.137) 21.078 12.508 ( 2.449 21.656 0.986) 21.816 12.991 ( -1.751 -20.357 -1.741) 20.506 13.305 ( 0.828 14.923 -3.536) 15.359 13.585 ( -3.727 -12.130 4.476) 13.456 14.823 ( 2.186 -1.356 2.980) 3.937 14.923 ( 2.601 -3.373 -3.966) 5.820 17.096 ( 11.139 2.307 18.211) 21.472 18.094 ( 19.134 -6.042 -4.694) 20.607 18.848 ( -15.860 -0.187 -2.141) 16.005 19.615 ( -1.471 -0.386 2.868) 3.246 20.538 ( -7.273 2.726 8.068) 11.199 22.204 ( 1.132 -3.144 -16.729) 17.060 23.644 ( -9.104 -0.383 3.444) 9.741 24.239 ( -5.025 0.708 -2.606) 5.705 ======================= Grid point 413 (225/230) ======================= q-point: ( 0.40 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -4.587 2.182 -0.393) 5.095 2.879 ( -13.146 -1.080 -10.239) 16.699 2.935 ( 0.467 -0.023 -6.176) 6.193 2.998 ( -6.911 -2.148 -1.432) 7.378 3.236 ( -0.136 2.371 3.190) 3.977 3.358 ( -6.339 -6.476 3.568) 9.740 3.696 ( 2.442 3.881 0.372) 4.601 3.835 ( -3.711 -7.285 -3.401) 8.855 5.637 ( 6.514 3.670 8.954) 11.665 5.752 ( 5.853 0.964 3.546) 6.911 5.853 ( 5.169 2.393 1.336) 5.851 5.997 ( 0.179 -0.307 -1.786) 1.821 7.073 ( 8.078 4.324 9.274) 13.037 7.617 ( -7.019 2.610 -7.517) 10.611 7.767 ( 7.111 -0.766 -7.918) 10.670 8.015 ( -12.216 -5.206 1.503) 13.364 8.736 ( -5.016 2.629 16.437) 17.385 9.312 ( 0.750 4.166 -22.469) 22.864 10.140 ( 3.999 1.956 18.380) 18.912 10.431 ( 8.757 -0.525 -9.536) 12.958 11.150 ( 5.118 1.288 14.141) 15.093 11.815 ( -0.014 4.262 -18.416) 18.902 12.579 ( 4.120 14.479 1.732) 15.153 12.899 ( -5.600 -8.351 -4.950) 11.207 13.369 ( 4.632 4.668 0.487) 6.594 13.510 ( -4.830 -7.494 4.829) 10.140 14.865 ( 1.323 -1.516 2.822) 3.466 14.954 ( 1.542 -3.048 -3.966) 5.235 17.426 ( 18.970 2.226 10.233) 21.668 18.274 ( -8.579 -0.845 -2.015) 8.853 18.718 ( 12.047 -0.896 -3.509) 12.580 19.479 ( -13.976 1.311 -0.336) 14.041 20.580 ( 8.912 -0.726 20.078) 21.979 21.996 ( -16.261 -3.321 -26.431) 31.210 23.614 ( 4.156 -1.172 8.744) 9.752 24.115 ( -6.605 0.156 -5.449) 8.563 ======================= Grid point 414 (226/230) ======================= q-point: (-0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -2.264 -0.999 2.121) 3.259 2.663 ( -5.013 -0.938 -5.275) 7.337 2.878 ( -4.969 0.466 3.103) 5.877 2.961 ( 2.496 -0.226 -4.338) 5.010 3.263 ( 0.433 -2.661 1.443) 3.058 3.318 ( 4.373 -3.230 -3.272) 6.345 3.740 ( 1.653 0.824 1.024) 2.111 3.787 ( -0.735 -3.431 -3.304) 4.820 5.740 ( 1.405 2.797 7.654) 8.269 5.800 ( -1.914 1.744 1.901) 3.212 5.929 ( 1.755 2.129 1.744) 3.264 5.976 ( -1.005 0.516 -1.566) 1.931 7.267 ( 8.654 3.951 8.357) 12.663 7.428 ( -8.285 1.880 -6.235) 10.538 7.730 ( -11.497 -0.349 9.122) 14.680 8.001 ( 11.047 -4.338 -16.105) 20.006 8.725 ( -0.911 1.139 23.057) 23.103 9.219 ( -3.385 3.590 -23.428) 23.942 10.205 ( -1.798 1.155 17.746) 17.874 10.539 ( 4.383 1.218 -12.910) 13.688 11.288 ( 3.723 2.866 20.352) 20.887 11.682 ( -8.699 2.471 -16.024) 18.400 12.675 ( 5.008 7.557 3.101) 9.581 12.776 ( -5.129 2.455 -6.116) 8.351 13.401 ( -4.902 -2.170 6.836) 8.687 13.486 ( 4.344 -4.162 -0.446) 6.033 14.885 ( 0.082 -1.846 2.640) 3.222 14.966 ( 0.727 -2.453 -4.601) 5.264 17.863 ( 23.017 1.815 2.727) 23.249 17.967 ( -15.943 0.465 -6.839) 17.354 19.087 ( 9.136 1.944 0.379) 9.348 19.100 ( -11.583 0.934 -0.875) 11.653 20.934 ( 19.620 -3.167 27.949) 34.295 21.529 ( -22.860 -3.428 -28.090) 36.378 23.786 ( 9.911 -0.837 7.914) 12.711 23.963 ( -6.932 -0.377 -8.578) 11.035 ======================= Grid point 415 (227/230) ======================= q-point: (-0.40 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 1.106 4.529 6.824) 8.265 2.680 ( 3.508 -4.536 4.325) 7.182 2.832 ( 0.953 1.018 4.610) 4.816 3.016 ( 3.704 -3.539 -0.715) 5.172 3.313 ( 5.946 4.087 -3.990) 8.245 3.460 ( 9.756 -4.435 -5.368) 11.986 3.733 ( -1.774 0.001 -3.375) 3.813 3.808 ( 3.148 -4.890 -0.506) 5.837 5.670 ( -9.596 3.909 3.786) 11.032 5.742 ( -4.415 0.501 4.415) 6.263 5.922 ( -2.273 2.710 0.473) 3.569 5.956 ( -1.756 -0.335 -1.515) 2.344 7.258 ( -6.152 4.503 -4.995) 9.114 7.357 ( -7.279 -2.375 9.784) 12.424 7.645 ( 5.853 0.183 4.681) 7.496 8.184 ( 10.795 -0.088 -12.194) 16.286 8.790 ( 0.720 -0.062 25.927) 25.937 9.115 ( -1.457 3.177 -18.762) 19.085 10.148 ( -7.966 1.699 14.988) 17.058 10.530 ( -1.850 0.930 -15.558) 15.695 11.342 ( -5.207 6.494 18.480) 20.268 11.448 ( -9.837 -1.291 -6.628) 11.931 12.653 ( -4.638 9.825 -4.840) 11.894 12.814 ( 6.974 -1.314 2.222) 7.437 13.308 ( -5.585 6.366 6.375) 10.600 13.581 ( 5.152 -11.622 -1.485) 12.800 14.878 ( -1.443 -1.917 2.635) 3.564 14.961 ( 0.001 -2.075 -5.649) 6.018 17.673 ( -10.691 1.951 -12.412) 16.497 18.291 ( 14.062 0.829 -3.743) 14.576 18.636 ( -17.305 -1.428 3.974) 17.813 19.468 ( 16.186 1.751 0.876) 16.304 21.042 ( -19.107 -2.000 -23.522) 30.370 21.405 ( 19.856 -3.059 29.156) 35.408 23.822 ( -4.271 -0.531 -10.544) 11.389 24.001 ( 9.827 -0.204 5.133) 11.088 ======================= Grid point 416 (228/230) ======================= q-point: (-0.30 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 3.501 3.946 14.430) 15.364 2.734 ( 3.067 5.468 4.661) 7.812 2.977 ( 9.397 -1.116 7.570) 12.118 3.112 ( 6.978 -9.979 2.874) 12.511 3.476 ( 11.556 10.791 -8.230) 17.825 3.606 ( 1.618 5.116 -2.665) 5.991 3.699 ( 3.422 -4.235 -8.717) 10.278 3.914 ( 8.472 -12.517 0.866) 15.140 5.453 ( -13.027 4.423 5.733) 14.904 5.619 ( -8.720 0.778 2.039) 8.989 5.841 ( -6.703 0.777 3.248) 7.489 5.887 ( -4.062 -0.453 -5.322) 6.710 7.112 ( -10.440 1.472 11.603) 15.678 7.228 ( -1.917 -0.609 -7.767) 8.023 7.857 ( 11.977 1.706 4.249) 12.822 8.374 ( 11.040 1.655 -6.889) 13.118 8.835 ( -2.665 -0.899 23.598) 23.766 9.082 ( 1.678 3.326 -12.717) 13.252 9.970 ( -13.228 2.696 12.431) 18.351 10.404 ( -6.891 -0.718 -16.023) 17.457 11.150 ( -11.143 5.293 -0.145) 12.337 11.321 ( -8.863 -0.585 18.187) 20.240 12.565 ( -2.914 15.768 -4.572) 16.674 12.947 ( 4.962 -14.607 1.588) 15.508 13.230 ( -2.804 18.175 4.778) 19.000 13.675 ( 4.888 -16.494 -3.695) 17.596 14.841 ( -2.945 -1.508 2.697) 4.269 14.938 ( -0.908 -2.172 -6.682) 7.085 17.491 ( -4.878 4.806 -17.916) 19.180 18.016 ( -24.111 -8.162 2.752) 25.604 18.834 ( 19.839 0.375 -1.416) 19.893 19.675 ( 4.098 -0.135 -2.429) 4.765 20.747 ( -4.938 1.230 -12.178) 13.199 21.771 ( 9.602 -2.059 23.710) 25.663 23.781 ( 3.235 -0.223 -8.959) 9.528 24.182 ( 7.619 0.605 2.681) 8.100 ======================= Grid point 417 (229/230) ======================= q-point: (-0.20 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 1.081 0.966 15.580) 15.647 2.865 ( 7.192 11.874 3.604) 14.343 3.114 ( 3.935 -0.902 2.317) 4.654 3.344 ( 12.108 -9.559 13.067) 20.217 3.493 ( -5.871 4.810 -7.053) 10.361 3.730 ( 13.405 10.400 -7.814) 18.679 3.823 ( 8.928 1.997 -3.594) 9.829 4.132 ( 12.368 -16.602 -0.477) 20.708 5.211 ( -12.722 5.663 7.612) 15.870 5.426 ( -10.699 0.809 -0.131) 10.730 5.680 ( -10.499 -2.343 7.382) 13.046 5.786 ( -4.286 -0.231 -10.047) 10.926 6.955 ( -8.389 -0.117 19.142) 20.900 7.244 ( 5.657 3.142 -17.187) 18.365 8.093 ( 10.499 2.586 5.838) 12.288 8.549 ( 5.585 1.837 -3.720) 6.957 8.821 ( -0.960 -0.998 19.402) 19.452 9.117 ( 4.328 2.924 -7.955) 9.516 9.711 ( -15.493 3.557 11.649) 19.707 10.197 ( -10.254 -2.272 -15.510) 18.731 10.974 ( -7.407 6.093 5.565) 11.089 11.165 ( -10.091 -2.636 14.596) 17.939 12.527 ( 0.198 19.577 -3.492) 19.887 12.958 ( -4.050 -11.577 0.513) 12.276 13.267 ( 5.394 13.570 3.107) 14.930 13.746 ( 3.408 -18.933 -6.593) 20.336 14.781 ( -3.679 -0.930 2.790) 4.710 14.895 ( -1.736 -2.301 -7.452) 7.990 17.350 ( -7.948 8.776 -10.936) 16.118 17.617 ( -14.554 -16.746 -4.381) 22.615 19.185 ( 15.974 0.532 -3.389) 16.338 19.639 ( -4.737 -0.974 -2.904) 5.641 20.797 ( 9.957 2.630 -1.957) 10.483 21.857 ( -4.993 -1.458 13.736) 14.688 23.910 ( 10.488 0.791 -3.572) 11.108 24.306 ( 4.539 1.289 0.758) 4.778 ======================= Grid point 418 (230/230) ======================= q-point: (-0.10 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 1.572 3.316 16.006) 16.421 2.992 ( 5.181 8.558 2.542) 10.322 3.166 ( 1.384 -0.487 -3.977) 4.239 3.304 ( -8.174 4.456 -1.765) 9.475 3.634 ( 9.939 -4.398 12.144) 16.297 3.919 ( 7.815 0.772 -8.076) 11.265 4.048 ( 12.443 9.882 3.000) 16.171 4.340 ( 8.230 -14.922 -2.942) 17.293 5.016 ( -8.441 7.370 8.112) 13.834 5.227 ( -8.533 0.714 -2.572) 8.941 5.492 ( -10.110 -5.044 10.058) 15.127 5.683 ( -3.018 -0.808 -12.438) 12.824 6.884 ( -4.021 1.479 22.078) 22.490 7.332 ( 6.773 4.499 -21.321) 22.819 8.273 ( 5.675 2.977 8.512) 10.655 8.541 ( -2.008 0.489 -2.870) 3.537 8.956 ( 7.510 3.137 16.139) 18.076 9.218 ( 7.551 0.592 -5.680) 9.468 9.451 ( -11.895 3.268 9.578) 15.617 9.937 ( -12.790 -3.158 -14.045) 19.257 10.888 ( -2.848 6.178 8.663) 11.015 11.031 ( -5.655 -3.509 7.302) 9.880 12.560 ( 3.792 18.889 -1.635) 19.335 12.840 ( -7.086 2.151 -1.134) 7.492 13.404 ( 6.904 -0.455 3.352) 7.688 13.764 ( -0.029 -18.626 -9.311) 20.823 14.722 ( -2.696 -0.973 2.941) 4.107 14.842 ( -1.618 -1.991 -7.780) 8.192 17.122 ( -13.483 -1.432 12.496) 18.439 17.438 ( -2.096 -9.042 -24.106) 25.831 19.432 ( 10.152 0.459 -4.415) 11.081 19.549 ( -3.742 -0.850 1.309) 4.055 21.060 ( 16.042 1.460 0.763) 16.127 21.681 ( -14.192 -0.887 6.300) 15.552 24.120 ( 10.209 1.687 0.167) 10.349 24.357 ( 0.526 1.799 -0.731) 2.012 =================== 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 3/29160 10.0 6846.211 10852.626 6806.131 0.000 991.969 0.000 3/29160 20.0 1174.929 871.594 1089.447 0.000 211.144 0.000 3/29160 30.0 366.630 248.554 344.026 0.000 64.223 0.000 3/29160 40.0 173.147 116.464 165.806 0.000 30.310 0.000 3/29160 50.0 102.758 69.116 100.024 0.000 18.057 0.000 3/29160 60.0 69.631 46.869 68.651 0.000 12.241 0.000 3/29160 70.0 51.330 34.582 51.129 0.000 8.988 0.000 3/29160 80.0 40.084 27.036 40.269 0.000 6.969 0.000 3/29160 90.0 32.631 22.040 33.020 0.000 5.622 0.000 3/29160 100.0 27.406 18.540 27.904 0.000 4.675 0.000 3/29160 110.0 23.580 15.976 24.134 0.000 3.981 0.000 3/29160 120.0 20.680 14.031 21.257 0.000 3.456 0.000 3/29160 130.0 18.417 12.511 18.998 0.000 3.048 0.000 3/29160 140.0 16.609 11.294 17.180 0.000 2.723 0.000 3/29160 150.0 15.136 10.299 15.689 0.000 2.459 0.000 3/29160 160.0 13.915 9.471 14.445 0.000 2.242 0.000 3/29160 170.0 12.887 8.772 13.391 0.000 2.060 0.000 3/29160 180.0 12.011 8.173 12.487 0.000 1.907 0.000 3/29160 190.0 11.255 7.654 11.704 0.000 1.775 0.000 3/29160 200.0 10.596 7.201 11.018 0.000 1.661 0.000 3/29160 210.0 10.017 6.800 10.412 0.000 1.561 0.000 3/29160 220.0 9.503 6.445 9.873 0.000 1.474 0.000 3/29160 230.0 9.044 6.126 9.390 0.000 1.396 0.000 3/29160 240.0 8.632 5.839 8.954 0.000 1.327 0.000 3/29160 250.0 8.259 5.579 8.559 0.000 1.265 0.000 3/29160 260.0 7.919 5.342 8.200 0.000 1.209 0.000 3/29160 270.0 7.608 5.125 7.871 0.000 1.158 0.000 3/29160 280.0 7.323 4.926 7.568 0.000 1.111 0.000 3/29160 290.0 7.060 4.743 7.289 0.000 1.069 0.000 3/29160 300.0 6.817 4.573 7.031 0.000 1.030 0.000 3/29160 310.0 6.591 4.415 6.792 0.000 0.994 0.000 3/29160 320.0 6.380 4.268 6.568 0.000 0.960 0.000 3/29160 330.0 6.184 4.132 6.360 0.000 0.929 0.000 3/29160 340.0 5.999 4.003 6.165 0.000 0.900 0.000 3/29160 350.0 5.826 3.883 5.982 0.000 0.873 0.000 3/29160 360.0 5.663 3.770 5.809 0.000 0.847 0.000 3/29160 370.0 5.510 3.664 5.647 0.000 0.824 0.000 3/29160 380.0 5.364 3.563 5.494 0.000 0.801 0.000 3/29160 390.0 5.227 3.469 5.349 0.000 0.780 0.000 3/29160 400.0 5.097 3.379 5.212 0.000 0.760 0.000 3/29160 410.0 4.973 3.294 5.082 0.000 0.741 0.000 3/29160 420.0 4.855 3.213 4.958 0.000 0.723 0.000 3/29160 430.0 4.743 3.136 4.841 0.000 0.706 0.000 3/29160 440.0 4.636 3.062 4.728 0.000 0.689 0.000 3/29160 450.0 4.534 2.992 4.622 0.000 0.674 0.000 3/29160 460.0 4.436 2.926 4.519 0.000 0.659 0.000 3/29160 470.0 4.343 2.862 4.422 0.000 0.645 0.000 3/29160 480.0 4.253 2.801 4.328 0.000 0.631 0.000 3/29160 490.0 4.167 2.743 4.239 0.000 0.618 0.000 3/29160 500.0 4.085 2.687 4.153 0.000 0.606 0.000 3/29160 510.0 4.006 2.633 4.071 0.000 0.594 0.000 3/29160 520.0 3.930 2.581 3.992 0.000 0.582 0.000 3/29160 530.0 3.856 2.532 3.916 0.000 0.571 0.000 3/29160 540.0 3.786 2.484 3.842 0.000 0.561 0.000 3/29160 550.0 3.718 2.438 3.772 0.000 0.551 0.000 3/29160 560.0 3.652 2.394 3.704 0.000 0.541 0.000 3/29160 570.0 3.589 2.351 3.639 0.000 0.531 0.000 3/29160 580.0 3.528 2.310 3.575 0.000 0.522 0.000 3/29160 590.0 3.469 2.271 3.514 0.000 0.513 0.000 3/29160 600.0 3.412 2.232 3.455 0.000 0.505 0.000 3/29160 610.0 3.356 2.195 3.398 0.000 0.496 0.000 3/29160 620.0 3.303 2.159 3.343 0.000 0.488 0.000 3/29160 630.0 3.251 2.125 3.290 0.000 0.481 0.000 3/29160 640.0 3.201 2.091 3.238 0.000 0.473 0.000 3/29160 650.0 3.152 2.059 3.188 0.000 0.466 0.000 3/29160 660.0 3.105 2.027 3.140 0.000 0.459 0.000 3/29160 670.0 3.059 1.997 3.093 0.000 0.452 0.000 3/29160 680.0 3.015 1.967 3.047 0.000 0.446 0.000 3/29160 690.0 2.972 1.938 3.003 0.000 0.439 0.000 3/29160 700.0 2.930 1.910 2.960 0.000 0.433 0.000 3/29160 710.0 2.889 1.883 2.918 0.000 0.427 0.000 3/29160 720.0 2.849 1.857 2.877 0.000 0.421 0.000 3/29160 730.0 2.810 1.831 2.838 0.000 0.415 0.000 3/29160 740.0 2.773 1.806 2.799 0.000 0.410 0.000 3/29160 750.0 2.736 1.782 2.762 0.000 0.404 0.000 3/29160 760.0 2.701 1.758 2.725 0.000 0.399 0.000 3/29160 770.0 2.666 1.735 2.690 0.000 0.394 0.000 3/29160 780.0 2.632 1.713 2.655 0.000 0.389 0.000 3/29160 790.0 2.599 1.691 2.622 0.000 0.384 0.000 3/29160 800.0 2.567 1.670 2.589 0.000 0.379 0.000 3/29160 810.0 2.536 1.649 2.557 0.000 0.374 0.000 3/29160 820.0 2.505 1.629 2.525 0.000 0.370 0.000 3/29160 830.0 2.475 1.609 2.495 0.000 0.365 0.000 3/29160 840.0 2.446 1.590 2.465 0.000 0.361 0.000 3/29160 850.0 2.417 1.571 2.436 0.000 0.357 0.000 3/29160 860.0 2.389 1.553 2.408 0.000 0.353 0.000 3/29160 870.0 2.362 1.535 2.380 0.000 0.349 0.000 3/29160 880.0 2.336 1.517 2.353 0.000 0.345 0.000 3/29160 890.0 2.310 1.500 2.327 0.000 0.341 0.000 3/29160 900.0 2.284 1.483 2.301 0.000 0.337 0.000 3/29160 910.0 2.259 1.467 2.275 0.000 0.333 0.000 3/29160 920.0 2.235 1.451 2.251 0.000 0.330 0.000 3/29160 930.0 2.211 1.435 2.226 0.000 0.326 0.000 3/29160 940.0 2.188 1.420 2.203 0.000 0.323 0.000 3/29160 950.0 2.165 1.405 2.179 0.000 0.319 0.000 3/29160 960.0 2.143 1.390 2.157 0.000 0.316 0.000 3/29160 970.0 2.121 1.376 2.134 0.000 0.313 0.000 3/29160 980.0 2.099 1.362 2.113 0.000 0.310 0.000 3/29160 990.0 2.078 1.348 2.091 0.000 0.307 0.000 3/29160 1000.0 2.057 1.334 2.070 0.000 0.304 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m1099.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:14:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|