----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:24:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.147862410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.042900580000002 0.000000000000000 c 0.000000000000000 0.000000000000000 7.628356070000000 Atomic positions (fractional): *1 O 0.41912810708536 0.52896947412107 0.30984134690220 15.999 2 O 0.58087189291464 0.02896947412107 0.69015865309780 15.999 3 O 0.08087189291464 0.47103052587893 0.80984134690220 15.999 4 O 0.91912810708536 0.97103052587893 0.19015865309780 15.999 5 O 0.58087189291464 0.47103052587893 0.69015865309780 15.999 6 O 0.41912810708536 0.97103052587893 0.30984134690220 15.999 7 O 0.91912810708536 0.52896947412107 0.19015865309780 15.999 8 O 0.08087189291464 0.02896947412107 0.80984134690220 15.999 *9 O 0.21167772275116 0.25000000000000 0.54824458222469 15.999 10 O 0.78832227724884 0.75000000000000 0.45175541777531 15.999 11 O 0.28832227724884 0.75000000000000 0.04824458222469 15.999 12 O 0.71167772275116 0.25000000000000 0.95175541777531 15.999 *13 O 0.91722773608682 0.25000000000000 0.57456209573215 15.999 14 O 0.08277226391318 0.75000000000000 0.42543790426785 15.999 15 O 0.58277226391318 0.75000000000000 0.07456209573215 15.999 16 O 0.41722773608682 0.25000000000000 0.92543790426785 15.999 *17 Br 0.57174092123620 0.25000000000000 0.81677872693044 79.904 18 Br 0.42825907876380 0.75000000000000 0.18322127306956 79.904 19 Br 0.92825907876380 0.75000000000000 0.31677872693044 79.904 20 Br 0.07174092123620 0.25000000000000 0.68322127306956 79.904 *21 Tl 0.67848331840485 0.25000000000000 0.33593665175034 204.383 22 Tl 0.32151668159515 0.75000000000000 0.66406334824966 204.383 23 Tl 0.82151668159515 0.75000000000000 0.83593665175034 204.383 24 Tl 0.17848331840485 0.25000000000000 0.16406334824966 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.147862410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.042900580000002 0.000000000000000 c 0.000000000000000 0.000000000000000 7.628356070000000 Atomic positions (fractional): *1 O 0.41912810708536 0.52896947412107 0.30984134690220 15.999 > 1 2 O 0.58087189291464 0.02896947412107 0.69015865309780 15.999 > 2 3 O 0.08087189291464 0.47103052587893 0.80984134690220 15.999 > 3 4 O 0.91912810708536 0.97103052587893 0.19015865309780 15.999 > 4 5 O 0.58087189291464 0.47103052587893 0.69015865309780 15.999 > 5 6 O 0.41912810708536 0.97103052587893 0.30984134690220 15.999 > 6 7 O 0.91912810708536 0.52896947412107 0.19015865309780 15.999 > 7 8 O 0.08087189291464 0.02896947412107 0.80984134690220 15.999 > 8 *9 O 0.21167772275116 0.25000000000000 0.54824458222469 15.999 > 9 10 O 0.78832227724884 0.75000000000000 0.45175541777531 15.999 > 10 11 O 0.28832227724884 0.75000000000000 0.04824458222469 15.999 > 11 12 O 0.71167772275116 0.25000000000000 0.95175541777531 15.999 > 12 *13 O 0.91722773608682 0.25000000000000 0.57456209573215 15.999 > 13 14 O 0.08277226391318 0.75000000000000 0.42543790426785 15.999 > 14 15 O 0.58277226391318 0.75000000000000 0.07456209573215 15.999 > 15 16 O 0.41722773608682 0.25000000000000 0.92543790426785 15.999 > 16 *17 Br 0.57174092123620 0.25000000000000 0.81677872693044 79.904 > 17 18 Br 0.42825907876380 0.75000000000000 0.18322127306956 79.904 > 18 19 Br 0.92825907876380 0.75000000000000 0.31677872693044 79.904 > 19 20 Br 0.07174092123620 0.25000000000000 0.68322127306956 79.904 > 20 *21 Tl 0.67848331840485 0.25000000000000 0.33593665175034 204.383 > 21 22 Tl 0.32151668159515 0.75000000000000 0.66406334824966 204.383 > 22 23 Tl 0.82151668159515 0.75000000000000 0.83593665175034 204.383 > 23 24 Tl 0.17848331840485 0.25000000000000 0.16406334824966 204.383 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.147862410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.085801160000004 0.000000000000000 c 0.000000000000000 0.000000000000000 15.256712139999999 Atomic positions (fractional): *1 O 0.41912810708536 0.26448473706053 0.15492067345110 15.999 > 1 2 O 0.41912810708536 0.76448473706053 0.15492067345110 15.999 > 1 3 O 0.41912810708536 0.26448473706053 0.65492067345110 15.999 > 1 4 O 0.41912810708536 0.76448473706053 0.65492067345110 15.999 > 1 5 O 0.58087189291464 0.01448473706053 0.34507932654890 15.999 > 2 6 O 0.58087189291464 0.51448473706053 0.34507932654890 15.999 > 2 7 O 0.58087189291464 0.01448473706053 0.84507932654890 15.999 > 2 8 O 0.58087189291464 0.51448473706053 0.84507932654890 15.999 > 2 9 O 0.08087189291464 0.23551526293947 0.40492067345110 15.999 > 3 10 O 0.08087189291464 0.73551526293947 0.40492067345110 15.999 > 3 11 O 0.08087189291464 0.23551526293947 0.90492067345110 15.999 > 3 12 O 0.08087189291464 0.73551526293947 0.90492067345110 15.999 > 3 13 O 0.91912810708536 0.48551526293947 0.09507932654890 15.999 > 4 14 O 0.91912810708536 0.98551526293947 0.09507932654890 15.999 > 4 15 O 0.91912810708536 0.48551526293947 0.59507932654890 15.999 > 4 16 O 0.91912810708536 0.98551526293947 0.59507932654890 15.999 > 4 17 O 0.58087189291464 0.23551526293947 0.34507932654890 15.999 > 5 18 O 0.58087189291464 0.73551526293947 0.34507932654890 15.999 > 5 19 O 0.58087189291464 0.23551526293947 0.84507932654890 15.999 > 5 20 O 0.58087189291464 0.73551526293947 0.84507932654890 15.999 > 5 21 O 0.41912810708536 0.48551526293947 0.15492067345110 15.999 > 6 22 O 0.41912810708536 0.98551526293947 0.15492067345110 15.999 > 6 23 O 0.41912810708536 0.48551526293947 0.65492067345110 15.999 > 6 24 O 0.41912810708536 0.98551526293947 0.65492067345110 15.999 > 6 25 O 0.91912810708536 0.26448473706053 0.09507932654890 15.999 > 7 26 O 0.91912810708536 0.76448473706053 0.09507932654890 15.999 > 7 27 O 0.91912810708536 0.26448473706053 0.59507932654890 15.999 > 7 28 O 0.91912810708536 0.76448473706053 0.59507932654890 15.999 > 7 29 O 0.08087189291464 0.01448473706053 0.40492067345110 15.999 > 8 30 O 0.08087189291464 0.51448473706053 0.40492067345110 15.999 > 8 31 O 0.08087189291464 0.01448473706053 0.90492067345110 15.999 > 8 32 O 0.08087189291464 0.51448473706053 0.90492067345110 15.999 > 8 *33 O 0.21167772275116 0.12500000000000 0.27412229111234 15.999 > 9 34 O 0.21167772275116 0.62500000000000 0.27412229111234 15.999 > 9 35 O 0.21167772275116 0.12500000000000 0.77412229111234 15.999 > 9 36 O 0.21167772275116 0.62500000000000 0.77412229111234 15.999 > 9 37 O 0.78832227724884 0.37500000000000 0.22587770888766 15.999 > 10 38 O 0.78832227724884 0.87500000000000 0.22587770888766 15.999 > 10 39 O 0.78832227724884 0.37500000000000 0.72587770888766 15.999 > 10 40 O 0.78832227724884 0.87500000000000 0.72587770888766 15.999 > 10 41 O 0.28832227724884 0.37500000000000 0.02412229111234 15.999 > 11 42 O 0.28832227724884 0.87500000000000 0.02412229111234 15.999 > 11 43 O 0.28832227724884 0.37500000000000 0.52412229111234 15.999 > 11 44 O 0.28832227724884 0.87500000000000 0.52412229111234 15.999 > 11 45 O 0.71167772275116 0.12500000000000 0.47587770888766 15.999 > 12 46 O 0.71167772275116 0.62500000000000 0.47587770888766 15.999 > 12 47 O 0.71167772275116 0.12500000000000 0.97587770888766 15.999 > 12 48 O 0.71167772275116 0.62500000000000 0.97587770888766 15.999 > 12 *49 O 0.91722773608682 0.12500000000000 0.28728104786608 15.999 > 13 50 O 0.91722773608682 0.62500000000000 0.28728104786608 15.999 > 13 51 O 0.91722773608682 0.12500000000000 0.78728104786608 15.999 > 13 52 O 0.91722773608682 0.62500000000000 0.78728104786608 15.999 > 13 53 O 0.08277226391318 0.37500000000000 0.21271895213392 15.999 > 14 54 O 0.08277226391318 0.87500000000000 0.21271895213392 15.999 > 14 55 O 0.08277226391318 0.37500000000000 0.71271895213392 15.999 > 14 56 O 0.08277226391318 0.87500000000000 0.71271895213392 15.999 > 14 57 O 0.58277226391318 0.37500000000000 0.03728104786608 15.999 > 15 58 O 0.58277226391318 0.87500000000000 0.03728104786608 15.999 > 15 59 O 0.58277226391318 0.37500000000000 0.53728104786608 15.999 > 15 60 O 0.58277226391318 0.87500000000000 0.53728104786608 15.999 > 15 61 O 0.41722773608682 0.12500000000000 0.46271895213392 15.999 > 16 62 O 0.41722773608682 0.62500000000000 0.46271895213392 15.999 > 16 63 O 0.41722773608682 0.12500000000000 0.96271895213392 15.999 > 16 64 O 0.41722773608682 0.62500000000000 0.96271895213392 15.999 > 16 *65 Br 0.57174092123620 0.12500000000000 0.40838936346522 79.904 > 17 66 Br 0.57174092123620 0.62500000000000 0.40838936346522 79.904 > 17 67 Br 0.57174092123620 0.12500000000000 0.90838936346522 79.904 > 17 68 Br 0.57174092123620 0.62500000000000 0.90838936346522 79.904 > 17 69 Br 0.42825907876380 0.37500000000000 0.09161063653478 79.904 > 18 70 Br 0.42825907876380 0.87500000000000 0.09161063653478 79.904 > 18 71 Br 0.42825907876380 0.37500000000000 0.59161063653478 79.904 > 18 72 Br 0.42825907876380 0.87500000000000 0.59161063653478 79.904 > 18 73 Br 0.92825907876380 0.37500000000000 0.15838936346522 79.904 > 19 74 Br 0.92825907876380 0.87500000000000 0.15838936346522 79.904 > 19 75 Br 0.92825907876380 0.37500000000000 0.65838936346522 79.904 > 19 76 Br 0.92825907876380 0.87500000000000 0.65838936346522 79.904 > 19 77 Br 0.07174092123620 0.12500000000000 0.34161063653478 79.904 > 20 78 Br 0.07174092123620 0.62500000000000 0.34161063653478 79.904 > 20 79 Br 0.07174092123620 0.12500000000000 0.84161063653478 79.904 > 20 80 Br 0.07174092123620 0.62500000000000 0.84161063653478 79.904 > 20 *81 Tl 0.67848331840485 0.12500000000000 0.16796832587517 204.383 > 21 82 Tl 0.67848331840485 0.62500000000000 0.16796832587517 204.383 > 21 83 Tl 0.67848331840485 0.12500000000000 0.66796832587517 204.383 > 21 84 Tl 0.67848331840485 0.62500000000000 0.66796832587517 204.383 > 21 85 Tl 0.32151668159515 0.37500000000000 0.33203167412483 204.383 > 22 86 Tl 0.32151668159515 0.87500000000000 0.33203167412483 204.383 > 22 87 Tl 0.32151668159515 0.37500000000000 0.83203167412483 204.383 > 22 88 Tl 0.32151668159515 0.87500000000000 0.83203167412483 204.383 > 22 89 Tl 0.82151668159515 0.37500000000000 0.41796832587517 204.383 > 23 90 Tl 0.82151668159515 0.87500000000000 0.41796832587517 204.383 > 23 91 Tl 0.82151668159515 0.37500000000000 0.91796832587517 204.383 > 23 92 Tl 0.82151668159515 0.87500000000000 0.91796832587517 204.383 > 23 93 Tl 0.17848331840485 0.12500000000000 0.08203167412483 204.383 > 24 94 Tl 0.17848331840485 0.62500000000000 0.08203167412483 204.383 > 24 95 Tl 0.17848331840485 0.12500000000000 0.58203167412483 204.383 > 24 96 Tl 0.17848331840485 0.62500000000000 0.58203167412483 204.383 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4572848 0.0000000 0.0000000 0.0000000 3.3283095 0.0000000 0.0000000 0.0000000 3.4119378 -------------------------- Born effective charges -------------------------- 1 O -0.9906698 -0.0459766 0.0772084 0.0080280 -1.7638161 0.4516751 -0.0476697 0.5296883 -1.2876807 2 O -0.9906698 0.0459766 0.0772084 -0.0080280 -1.7638161 -0.4516751 -0.0476697 -0.5296883 -1.2876807 3 O -0.9906698 -0.0459766 -0.0772084 0.0080280 -1.7638161 -0.4516751 0.0476697 -0.5296883 -1.2876807 4 O -0.9906698 0.0459766 -0.0772084 -0.0080280 -1.7638161 0.4516751 0.0476697 0.5296883 -1.2876807 5 O -0.9906698 -0.0459766 0.0772084 0.0080280 -1.7638161 0.4516751 -0.0476697 0.5296883 -1.2876807 6 O -0.9906698 0.0459766 0.0772084 -0.0080280 -1.7638161 -0.4516751 -0.0476697 -0.5296883 -1.2876807 7 O -0.9906698 -0.0459766 -0.0772084 0.0080280 -1.7638161 -0.4516751 0.0476697 -0.5296883 -1.2876807 8 O -0.9906698 0.0459766 -0.0772084 -0.0080280 -1.7638161 0.4516751 0.0476697 0.5296883 -1.2876807 9 O -1.3298396 0.0000000 0.5898561 0.0000000 -0.9590264 0.0000000 0.4974896 0.0000000 -1.4212162 10 O -1.3298396 0.0000000 0.5898561 0.0000000 -0.9590264 0.0000000 0.4974896 0.0000000 -1.4212162 11 O -1.3298396 0.0000000 -0.5898561 0.0000000 -0.9590264 0.0000000 -0.4974896 0.0000000 -1.4212162 12 O -1.3298396 0.0000000 -0.5898561 0.0000000 -0.9590264 0.0000000 -0.4974896 0.0000000 -1.4212162 13 O -1.3709068 0.0000000 -0.3527907 0.0000000 -0.8006616 0.0000000 -0.3264343 0.0000000 -0.9224674 14 O -1.3709068 0.0000000 -0.3527907 0.0000000 -0.8006616 0.0000000 -0.3264343 0.0000000 -0.9224674 15 O -1.3709068 0.0000000 0.3527907 0.0000000 -0.8006616 0.0000000 0.3264343 0.0000000 -0.9224674 16 O -1.3709068 0.0000000 0.3527907 0.0000000 -0.8006616 0.0000000 0.3264343 0.0000000 -0.9224674 17 Br 2.8102195 0.0000000 0.0373189 0.0000000 3.5326226 0.0000000 0.2315599 0.0000000 3.1589237 18 Br 2.8102195 0.0000000 0.0373189 0.0000000 3.5326226 0.0000000 0.2315599 0.0000000 3.1589237 19 Br 2.8102195 0.0000000 -0.0373189 0.0000000 3.5326226 0.0000000 -0.2315599 0.0000000 3.1589237 20 Br 2.8102195 0.0000000 -0.0373189 0.0000000 3.5326226 0.0000000 -0.2315599 0.0000000 3.1589237 21 Tl 1.8718665 0.0000000 0.0920567 0.0000000 1.7546977 0.0000000 0.1535907 0.0000000 1.7601212 22 Tl 1.8718665 0.0000000 0.0920567 0.0000000 1.7546977 0.0000000 0.1535907 0.0000000 1.7601212 23 Tl 1.8718665 0.0000000 -0.0920567 0.0000000 1.7546977 0.0000000 -0.1535907 0.0000000 1.7601212 24 Tl 1.8718665 0.0000000 -0.0920567 0.0000000 1.7546977 0.0000000 -0.1535907 0.0000000 1.7601212 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1418 Number of blocks in projector: 1418 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: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1418, 1389), data: False |-- (206, 201), data: True |-- (206, 201), data: True |-- (206, 201), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.547 Solver_block: 200 / 400 - Time: 1.544 Solver_block: 300 / 400 - Time: 1.537 Solver_block: 400 / 400 - Time: 1.541 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.202 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1418 Number of blocks in projector: 1418 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: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1418, 1389), data: False |-- (206, 201), data: True |-- (206, 201), data: True |-- (206, 201), data: True |-- (224, 222), data: True |-- (224, 222), data: True |-- (352, 342), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 05:24:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:24:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.147862410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.042900580000002 0.000000000000000 c 0.000000000000000 0.000000000000000 7.628356070000000 Atomic positions (fractional): 1 O 0.41912810708536 0.52896947412107 0.30984134690220 15.999 2 O 0.58087189291464 0.02896947412107 0.69015865309780 15.999 3 O 0.08087189291464 0.47103052587893 0.80984134690220 15.999 4 O 0.91912810708536 0.97103052587893 0.19015865309780 15.999 5 O 0.58087189291464 0.47103052587893 0.69015865309780 15.999 6 O 0.41912810708536 0.97103052587893 0.30984134690220 15.999 7 O 0.91912810708536 0.52896947412107 0.19015865309780 15.999 8 O 0.08087189291464 0.02896947412107 0.80984134690220 15.999 9 O 0.21167772275116 0.25000000000000 0.54824458222469 15.999 10 O 0.78832227724884 0.75000000000000 0.45175541777531 15.999 11 O 0.28832227724884 0.75000000000000 0.04824458222469 15.999 12 O 0.71167772275116 0.25000000000000 0.95175541777531 15.999 13 O 0.91722773608682 0.25000000000000 0.57456209573215 15.999 14 O 0.08277226391318 0.75000000000000 0.42543790426785 15.999 15 O 0.58277226391318 0.75000000000000 0.07456209573215 15.999 16 O 0.41722773608682 0.25000000000000 0.92543790426785 15.999 17 Br 0.57174092123620 0.25000000000000 0.81677872693044 79.904 18 Br 0.42825907876380 0.75000000000000 0.18322127306956 79.904 19 Br 0.92825907876380 0.75000000000000 0.31677872693044 79.904 20 Br 0.07174092123620 0.25000000000000 0.68322127306956 79.904 21 Tl 0.67848331840485 0.25000000000000 0.33593665175034 204.383 22 Tl 0.32151668159515 0.75000000000000 0.66406334824966 204.383 23 Tl 0.82151668159515 0.75000000000000 0.83593665175034 204.383 24 Tl 0.17848331840485 0.25000000000000 0.16406334824966 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.147862410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.085801160000004 0.000000000000000 c 0.000000000000000 0.000000000000000 15.256712139999999 Atomic positions (fractional): 1 O 0.41912810708536 0.26448473706053 0.15492067345110 15.999 > 1 2 O 0.41912810708536 0.76448473706053 0.15492067345110 15.999 > 1 3 O 0.41912810708536 0.26448473706053 0.65492067345110 15.999 > 1 4 O 0.41912810708536 0.76448473706053 0.65492067345110 15.999 > 1 5 O 0.58087189291464 0.01448473706053 0.34507932654890 15.999 > 5 6 O 0.58087189291464 0.51448473706053 0.34507932654890 15.999 > 5 7 O 0.58087189291464 0.01448473706053 0.84507932654890 15.999 > 5 8 O 0.58087189291464 0.51448473706053 0.84507932654890 15.999 > 5 9 O 0.08087189291464 0.23551526293947 0.40492067345110 15.999 > 9 10 O 0.08087189291464 0.73551526293947 0.40492067345110 15.999 > 9 11 O 0.08087189291464 0.23551526293947 0.90492067345110 15.999 > 9 12 O 0.08087189291464 0.73551526293947 0.90492067345110 15.999 > 9 13 O 0.91912810708536 0.48551526293947 0.09507932654890 15.999 > 13 14 O 0.91912810708536 0.98551526293947 0.09507932654890 15.999 > 13 15 O 0.91912810708536 0.48551526293947 0.59507932654890 15.999 > 13 16 O 0.91912810708536 0.98551526293947 0.59507932654890 15.999 > 13 17 O 0.58087189291464 0.23551526293947 0.34507932654890 15.999 > 17 18 O 0.58087189291464 0.73551526293947 0.34507932654890 15.999 > 17 19 O 0.58087189291464 0.23551526293947 0.84507932654890 15.999 > 17 20 O 0.58087189291464 0.73551526293947 0.84507932654890 15.999 > 17 21 O 0.41912810708536 0.48551526293947 0.15492067345110 15.999 > 21 22 O 0.41912810708536 0.98551526293947 0.15492067345110 15.999 > 21 23 O 0.41912810708536 0.48551526293947 0.65492067345110 15.999 > 21 24 O 0.41912810708536 0.98551526293947 0.65492067345110 15.999 > 21 25 O 0.91912810708536 0.26448473706053 0.09507932654890 15.999 > 25 26 O 0.91912810708536 0.76448473706053 0.09507932654890 15.999 > 25 27 O 0.91912810708536 0.26448473706053 0.59507932654890 15.999 > 25 28 O 0.91912810708536 0.76448473706053 0.59507932654890 15.999 > 25 29 O 0.08087189291464 0.01448473706053 0.40492067345110 15.999 > 29 30 O 0.08087189291464 0.51448473706053 0.40492067345110 15.999 > 29 31 O 0.08087189291464 0.01448473706053 0.90492067345110 15.999 > 29 32 O 0.08087189291464 0.51448473706053 0.90492067345110 15.999 > 29 33 O 0.21167772275116 0.12500000000000 0.27412229111234 15.999 > 33 34 O 0.21167772275116 0.62500000000000 0.27412229111234 15.999 > 33 35 O 0.21167772275116 0.12500000000000 0.77412229111234 15.999 > 33 36 O 0.21167772275116 0.62500000000000 0.77412229111234 15.999 > 33 37 O 0.78832227724884 0.37500000000000 0.22587770888766 15.999 > 37 38 O 0.78832227724884 0.87500000000000 0.22587770888766 15.999 > 37 39 O 0.78832227724884 0.37500000000000 0.72587770888766 15.999 > 37 40 O 0.78832227724884 0.87500000000000 0.72587770888766 15.999 > 37 41 O 0.28832227724884 0.37500000000000 0.02412229111234 15.999 > 41 42 O 0.28832227724884 0.87500000000000 0.02412229111234 15.999 > 41 43 O 0.28832227724884 0.37500000000000 0.52412229111234 15.999 > 41 44 O 0.28832227724884 0.87500000000000 0.52412229111234 15.999 > 41 45 O 0.71167772275116 0.12500000000000 0.47587770888766 15.999 > 45 46 O 0.71167772275116 0.62500000000000 0.47587770888766 15.999 > 45 47 O 0.71167772275116 0.12500000000000 0.97587770888766 15.999 > 45 48 O 0.71167772275116 0.62500000000000 0.97587770888766 15.999 > 45 49 O 0.91722773608682 0.12500000000000 0.28728104786608 15.999 > 49 50 O 0.91722773608682 0.62500000000000 0.28728104786608 15.999 > 49 51 O 0.91722773608682 0.12500000000000 0.78728104786608 15.999 > 49 52 O 0.91722773608682 0.62500000000000 0.78728104786608 15.999 > 49 53 O 0.08277226391318 0.37500000000000 0.21271895213392 15.999 > 53 54 O 0.08277226391318 0.87500000000000 0.21271895213392 15.999 > 53 55 O 0.08277226391318 0.37500000000000 0.71271895213392 15.999 > 53 56 O 0.08277226391318 0.87500000000000 0.71271895213392 15.999 > 53 57 O 0.58277226391318 0.37500000000000 0.03728104786608 15.999 > 57 58 O 0.58277226391318 0.87500000000000 0.03728104786608 15.999 > 57 59 O 0.58277226391318 0.37500000000000 0.53728104786608 15.999 > 57 60 O 0.58277226391318 0.87500000000000 0.53728104786608 15.999 > 57 61 O 0.41722773608682 0.12500000000000 0.46271895213392 15.999 > 61 62 O 0.41722773608682 0.62500000000000 0.46271895213392 15.999 > 61 63 O 0.41722773608682 0.12500000000000 0.96271895213392 15.999 > 61 64 O 0.41722773608682 0.62500000000000 0.96271895213392 15.999 > 61 65 Br 0.57174092123620 0.12500000000000 0.40838936346522 79.904 > 65 66 Br 0.57174092123620 0.62500000000000 0.40838936346522 79.904 > 65 67 Br 0.57174092123620 0.12500000000000 0.90838936346522 79.904 > 65 68 Br 0.57174092123620 0.62500000000000 0.90838936346522 79.904 > 65 69 Br 0.42825907876380 0.37500000000000 0.09161063653478 79.904 > 69 70 Br 0.42825907876380 0.87500000000000 0.09161063653478 79.904 > 69 71 Br 0.42825907876380 0.37500000000000 0.59161063653478 79.904 > 69 72 Br 0.42825907876380 0.87500000000000 0.59161063653478 79.904 > 69 73 Br 0.92825907876380 0.37500000000000 0.15838936346522 79.904 > 73 74 Br 0.92825907876380 0.87500000000000 0.15838936346522 79.904 > 73 75 Br 0.92825907876380 0.37500000000000 0.65838936346522 79.904 > 73 76 Br 0.92825907876380 0.87500000000000 0.65838936346522 79.904 > 73 77 Br 0.07174092123620 0.12500000000000 0.34161063653478 79.904 > 77 78 Br 0.07174092123620 0.62500000000000 0.34161063653478 79.904 > 77 79 Br 0.07174092123620 0.12500000000000 0.84161063653478 79.904 > 77 80 Br 0.07174092123620 0.62500000000000 0.84161063653478 79.904 > 77 81 Tl 0.67848331840485 0.12500000000000 0.16796832587517 204.383 > 81 82 Tl 0.67848331840485 0.62500000000000 0.16796832587517 204.383 > 81 83 Tl 0.67848331840485 0.12500000000000 0.66796832587517 204.383 > 81 84 Tl 0.67848331840485 0.62500000000000 0.66796832587517 204.383 > 81 85 Tl 0.32151668159515 0.37500000000000 0.33203167412483 204.383 > 85 86 Tl 0.32151668159515 0.87500000000000 0.33203167412483 204.383 > 85 87 Tl 0.32151668159515 0.37500000000000 0.83203167412483 204.383 > 85 88 Tl 0.32151668159515 0.87500000000000 0.83203167412483 204.383 > 85 89 Tl 0.82151668159515 0.37500000000000 0.41796832587517 204.383 > 89 90 Tl 0.82151668159515 0.87500000000000 0.41796832587517 204.383 > 89 91 Tl 0.82151668159515 0.37500000000000 0.91796832587517 204.383 > 89 92 Tl 0.82151668159515 0.87500000000000 0.91796832587517 204.383 > 89 93 Tl 0.17848331840485 0.12500000000000 0.08203167412483 204.383 > 93 94 Tl 0.17848331840485 0.62500000000000 0.08203167412483 204.383 > 93 95 Tl 0.17848331840485 0.12500000000000 0.58203167412483 204.383 > 93 96 Tl 0.17848331840485 0.62500000000000 0.58203167412483 204.383 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4572848 0.0000000 0.0000000 0.0000000 3.3283095 0.0000000 0.0000000 0.0000000 3.4119378 -------------------------- Born effective charges -------------------------- 1 O -0.9906698 -0.0459766 0.0772084 0.0080280 -1.7638161 0.4516751 -0.0476697 0.5296883 -1.2876807 2 O -0.9906698 0.0459766 0.0772084 -0.0080280 -1.7638161 -0.4516751 -0.0476697 -0.5296883 -1.2876807 3 O -0.9906698 -0.0459766 -0.0772084 0.0080280 -1.7638161 -0.4516751 0.0476697 -0.5296883 -1.2876807 4 O -0.9906698 0.0459766 -0.0772084 -0.0080280 -1.7638161 0.4516751 0.0476697 0.5296883 -1.2876807 5 O -0.9906698 -0.0459766 0.0772084 0.0080280 -1.7638161 0.4516751 -0.0476697 0.5296883 -1.2876807 6 O -0.9906698 0.0459766 0.0772084 -0.0080280 -1.7638161 -0.4516751 -0.0476697 -0.5296883 -1.2876807 7 O -0.9906698 -0.0459766 -0.0772084 0.0080280 -1.7638161 -0.4516751 0.0476697 -0.5296883 -1.2876807 8 O -0.9906698 0.0459766 -0.0772084 -0.0080280 -1.7638161 0.4516751 0.0476697 0.5296883 -1.2876807 9 O -1.3298396 0.0000000 0.5898561 0.0000000 -0.9590264 0.0000000 0.4974896 0.0000000 -1.4212162 10 O -1.3298396 0.0000000 0.5898561 0.0000000 -0.9590264 0.0000000 0.4974896 0.0000000 -1.4212162 11 O -1.3298396 0.0000000 -0.5898561 0.0000000 -0.9590264 0.0000000 -0.4974896 0.0000000 -1.4212162 12 O -1.3298396 0.0000000 -0.5898561 0.0000000 -0.9590264 0.0000000 -0.4974896 0.0000000 -1.4212162 13 O -1.3709068 0.0000000 -0.3527907 0.0000000 -0.8006616 0.0000000 -0.3264343 0.0000000 -0.9224674 14 O -1.3709068 0.0000000 -0.3527907 0.0000000 -0.8006616 0.0000000 -0.3264343 0.0000000 -0.9224674 15 O -1.3709068 0.0000000 0.3527907 0.0000000 -0.8006616 0.0000000 0.3264343 0.0000000 -0.9224674 16 O -1.3709068 0.0000000 0.3527907 0.0000000 -0.8006616 0.0000000 0.3264343 0.0000000 -0.9224674 17 Br 2.8102195 0.0000000 0.0373189 0.0000000 3.5326226 0.0000000 0.2315599 0.0000000 3.1589237 18 Br 2.8102195 0.0000000 0.0373189 0.0000000 3.5326226 0.0000000 0.2315599 0.0000000 3.1589237 19 Br 2.8102195 0.0000000 -0.0373189 0.0000000 3.5326226 0.0000000 -0.2315599 0.0000000 3.1589237 20 Br 2.8102195 0.0000000 -0.0373189 0.0000000 3.5326226 0.0000000 -0.2315599 0.0000000 3.1589237 21 Tl 1.8718665 0.0000000 0.0920567 0.0000000 1.7546977 0.0000000 0.1535907 0.0000000 1.7601212 22 Tl 1.8718665 0.0000000 0.0920567 0.0000000 1.7546977 0.0000000 0.1535907 0.0000000 1.7601212 23 Tl 1.8718665 0.0000000 -0.0920567 0.0000000 1.7546977 0.0000000 -0.1535907 0.0000000 1.7601212 24 Tl 1.8718665 0.0000000 -0.0920567 0.0000000 1.7546977 0.0000000 -0.1535907 0.0000000 1.7601212 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000007 (xzx) 0.00000007 (xzx) 0.00000007 (xxz) 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 05:25:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:25:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.147862410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.042900580000002 0.000000000000000 c 0.000000000000000 0.000000000000000 7.628356070000000 Atomic positions (fractional): 1 O 0.41912810708536 0.52896947412107 0.30984134690220 15.999 2 O 0.58087189291464 0.02896947412107 0.69015865309780 15.999 3 O 0.08087189291464 0.47103052587893 0.80984134690220 15.999 4 O 0.91912810708536 0.97103052587893 0.19015865309780 15.999 5 O 0.58087189291464 0.47103052587893 0.69015865309780 15.999 6 O 0.41912810708536 0.97103052587893 0.30984134690220 15.999 7 O 0.91912810708536 0.52896947412107 0.19015865309780 15.999 8 O 0.08087189291464 0.02896947412107 0.80984134690220 15.999 9 O 0.21167772275116 0.25000000000000 0.54824458222469 15.999 10 O 0.78832227724884 0.75000000000000 0.45175541777531 15.999 11 O 0.28832227724884 0.75000000000000 0.04824458222469 15.999 12 O 0.71167772275116 0.25000000000000 0.95175541777531 15.999 13 O 0.91722773608682 0.25000000000000 0.57456209573215 15.999 14 O 0.08277226391318 0.75000000000000 0.42543790426785 15.999 15 O 0.58277226391318 0.75000000000000 0.07456209573215 15.999 16 O 0.41722773608682 0.25000000000000 0.92543790426785 15.999 17 Br 0.57174092123620 0.25000000000000 0.81677872693044 79.904 18 Br 0.42825907876380 0.75000000000000 0.18322127306956 79.904 19 Br 0.92825907876380 0.75000000000000 0.31677872693044 79.904 20 Br 0.07174092123620 0.25000000000000 0.68322127306956 79.904 21 Tl 0.67848331840485 0.25000000000000 0.33593665175034 204.383 22 Tl 0.32151668159515 0.75000000000000 0.66406334824966 204.383 23 Tl 0.82151668159515 0.75000000000000 0.83593665175034 204.383 24 Tl 0.17848331840485 0.25000000000000 0.16406334824966 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.147862410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.085801160000004 0.000000000000000 c 0.000000000000000 0.000000000000000 15.256712139999999 Atomic positions (fractional): 1 O 0.41912810708536 0.26448473706053 0.15492067345110 15.999 > 1 2 O 0.41912810708536 0.76448473706053 0.15492067345110 15.999 > 1 3 O 0.41912810708536 0.26448473706053 0.65492067345110 15.999 > 1 4 O 0.41912810708536 0.76448473706053 0.65492067345110 15.999 > 1 5 O 0.58087189291464 0.01448473706053 0.34507932654890 15.999 > 5 6 O 0.58087189291464 0.51448473706053 0.34507932654890 15.999 > 5 7 O 0.58087189291464 0.01448473706053 0.84507932654890 15.999 > 5 8 O 0.58087189291464 0.51448473706053 0.84507932654890 15.999 > 5 9 O 0.08087189291464 0.23551526293947 0.40492067345110 15.999 > 9 10 O 0.08087189291464 0.73551526293947 0.40492067345110 15.999 > 9 11 O 0.08087189291464 0.23551526293947 0.90492067345110 15.999 > 9 12 O 0.08087189291464 0.73551526293947 0.90492067345110 15.999 > 9 13 O 0.91912810708536 0.48551526293947 0.09507932654890 15.999 > 13 14 O 0.91912810708536 0.98551526293947 0.09507932654890 15.999 > 13 15 O 0.91912810708536 0.48551526293947 0.59507932654890 15.999 > 13 16 O 0.91912810708536 0.98551526293947 0.59507932654890 15.999 > 13 17 O 0.58087189291464 0.23551526293947 0.34507932654890 15.999 > 17 18 O 0.58087189291464 0.73551526293947 0.34507932654890 15.999 > 17 19 O 0.58087189291464 0.23551526293947 0.84507932654890 15.999 > 17 20 O 0.58087189291464 0.73551526293947 0.84507932654890 15.999 > 17 21 O 0.41912810708536 0.48551526293947 0.15492067345110 15.999 > 21 22 O 0.41912810708536 0.98551526293947 0.15492067345110 15.999 > 21 23 O 0.41912810708536 0.48551526293947 0.65492067345110 15.999 > 21 24 O 0.41912810708536 0.98551526293947 0.65492067345110 15.999 > 21 25 O 0.91912810708536 0.26448473706053 0.09507932654890 15.999 > 25 26 O 0.91912810708536 0.76448473706053 0.09507932654890 15.999 > 25 27 O 0.91912810708536 0.26448473706053 0.59507932654890 15.999 > 25 28 O 0.91912810708536 0.76448473706053 0.59507932654890 15.999 > 25 29 O 0.08087189291464 0.01448473706053 0.40492067345110 15.999 > 29 30 O 0.08087189291464 0.51448473706053 0.40492067345110 15.999 > 29 31 O 0.08087189291464 0.01448473706053 0.90492067345110 15.999 > 29 32 O 0.08087189291464 0.51448473706053 0.90492067345110 15.999 > 29 33 O 0.21167772275116 0.12500000000000 0.27412229111234 15.999 > 33 34 O 0.21167772275116 0.62500000000000 0.27412229111234 15.999 > 33 35 O 0.21167772275116 0.12500000000000 0.77412229111234 15.999 > 33 36 O 0.21167772275116 0.62500000000000 0.77412229111234 15.999 > 33 37 O 0.78832227724884 0.37500000000000 0.22587770888766 15.999 > 37 38 O 0.78832227724884 0.87500000000000 0.22587770888766 15.999 > 37 39 O 0.78832227724884 0.37500000000000 0.72587770888766 15.999 > 37 40 O 0.78832227724884 0.87500000000000 0.72587770888766 15.999 > 37 41 O 0.28832227724884 0.37500000000000 0.02412229111234 15.999 > 41 42 O 0.28832227724884 0.87500000000000 0.02412229111234 15.999 > 41 43 O 0.28832227724884 0.37500000000000 0.52412229111234 15.999 > 41 44 O 0.28832227724884 0.87500000000000 0.52412229111234 15.999 > 41 45 O 0.71167772275116 0.12500000000000 0.47587770888766 15.999 > 45 46 O 0.71167772275116 0.62500000000000 0.47587770888766 15.999 > 45 47 O 0.71167772275116 0.12500000000000 0.97587770888766 15.999 > 45 48 O 0.71167772275116 0.62500000000000 0.97587770888766 15.999 > 45 49 O 0.91722773608682 0.12500000000000 0.28728104786608 15.999 > 49 50 O 0.91722773608682 0.62500000000000 0.28728104786608 15.999 > 49 51 O 0.91722773608682 0.12500000000000 0.78728104786608 15.999 > 49 52 O 0.91722773608682 0.62500000000000 0.78728104786608 15.999 > 49 53 O 0.08277226391318 0.37500000000000 0.21271895213392 15.999 > 53 54 O 0.08277226391318 0.87500000000000 0.21271895213392 15.999 > 53 55 O 0.08277226391318 0.37500000000000 0.71271895213392 15.999 > 53 56 O 0.08277226391318 0.87500000000000 0.71271895213392 15.999 > 53 57 O 0.58277226391318 0.37500000000000 0.03728104786608 15.999 > 57 58 O 0.58277226391318 0.87500000000000 0.03728104786608 15.999 > 57 59 O 0.58277226391318 0.37500000000000 0.53728104786608 15.999 > 57 60 O 0.58277226391318 0.87500000000000 0.53728104786608 15.999 > 57 61 O 0.41722773608682 0.12500000000000 0.46271895213392 15.999 > 61 62 O 0.41722773608682 0.62500000000000 0.46271895213392 15.999 > 61 63 O 0.41722773608682 0.12500000000000 0.96271895213392 15.999 > 61 64 O 0.41722773608682 0.62500000000000 0.96271895213392 15.999 > 61 65 Br 0.57174092123620 0.12500000000000 0.40838936346522 79.904 > 65 66 Br 0.57174092123620 0.62500000000000 0.40838936346522 79.904 > 65 67 Br 0.57174092123620 0.12500000000000 0.90838936346522 79.904 > 65 68 Br 0.57174092123620 0.62500000000000 0.90838936346522 79.904 > 65 69 Br 0.42825907876380 0.37500000000000 0.09161063653478 79.904 > 69 70 Br 0.42825907876380 0.87500000000000 0.09161063653478 79.904 > 69 71 Br 0.42825907876380 0.37500000000000 0.59161063653478 79.904 > 69 72 Br 0.42825907876380 0.87500000000000 0.59161063653478 79.904 > 69 73 Br 0.92825907876380 0.37500000000000 0.15838936346522 79.904 > 73 74 Br 0.92825907876380 0.87500000000000 0.15838936346522 79.904 > 73 75 Br 0.92825907876380 0.37500000000000 0.65838936346522 79.904 > 73 76 Br 0.92825907876380 0.87500000000000 0.65838936346522 79.904 > 73 77 Br 0.07174092123620 0.12500000000000 0.34161063653478 79.904 > 77 78 Br 0.07174092123620 0.62500000000000 0.34161063653478 79.904 > 77 79 Br 0.07174092123620 0.12500000000000 0.84161063653478 79.904 > 77 80 Br 0.07174092123620 0.62500000000000 0.84161063653478 79.904 > 77 81 Tl 0.67848331840485 0.12500000000000 0.16796832587517 204.383 > 81 82 Tl 0.67848331840485 0.62500000000000 0.16796832587517 204.383 > 81 83 Tl 0.67848331840485 0.12500000000000 0.66796832587517 204.383 > 81 84 Tl 0.67848331840485 0.62500000000000 0.66796832587517 204.383 > 81 85 Tl 0.32151668159515 0.37500000000000 0.33203167412483 204.383 > 85 86 Tl 0.32151668159515 0.87500000000000 0.33203167412483 204.383 > 85 87 Tl 0.32151668159515 0.37500000000000 0.83203167412483 204.383 > 85 88 Tl 0.32151668159515 0.87500000000000 0.83203167412483 204.383 > 85 89 Tl 0.82151668159515 0.37500000000000 0.41796832587517 204.383 > 89 90 Tl 0.82151668159515 0.87500000000000 0.41796832587517 204.383 > 89 91 Tl 0.82151668159515 0.37500000000000 0.91796832587517 204.383 > 89 92 Tl 0.82151668159515 0.87500000000000 0.91796832587517 204.383 > 89 93 Tl 0.17848331840485 0.12500000000000 0.08203167412483 204.383 > 93 94 Tl 0.17848331840485 0.62500000000000 0.08203167412483 204.383 > 93 95 Tl 0.17848331840485 0.12500000000000 0.58203167412483 204.383 > 93 96 Tl 0.17848331840485 0.62500000000000 0.58203167412483 204.383 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4572848 0.0000000 0.0000000 0.0000000 3.3283095 0.0000000 0.0000000 0.0000000 3.4119378 -------------------------- Born effective charges -------------------------- 1 O -0.9906698 -0.0459766 0.0772084 0.0080280 -1.7638161 0.4516751 -0.0476697 0.5296883 -1.2876807 2 O -0.9906698 0.0459766 0.0772084 -0.0080280 -1.7638161 -0.4516751 -0.0476697 -0.5296883 -1.2876807 3 O -0.9906698 -0.0459766 -0.0772084 0.0080280 -1.7638161 -0.4516751 0.0476697 -0.5296883 -1.2876807 4 O -0.9906698 0.0459766 -0.0772084 -0.0080280 -1.7638161 0.4516751 0.0476697 0.5296883 -1.2876807 5 O -0.9906698 -0.0459766 0.0772084 0.0080280 -1.7638161 0.4516751 -0.0476697 0.5296883 -1.2876807 6 O -0.9906698 0.0459766 0.0772084 -0.0080280 -1.7638161 -0.4516751 -0.0476697 -0.5296883 -1.2876807 7 O -0.9906698 -0.0459766 -0.0772084 0.0080280 -1.7638161 -0.4516751 0.0476697 -0.5296883 -1.2876807 8 O -0.9906698 0.0459766 -0.0772084 -0.0080280 -1.7638161 0.4516751 0.0476697 0.5296883 -1.2876807 9 O -1.3298396 0.0000000 0.5898561 0.0000000 -0.9590264 0.0000000 0.4974896 0.0000000 -1.4212162 10 O -1.3298396 0.0000000 0.5898561 0.0000000 -0.9590264 0.0000000 0.4974896 0.0000000 -1.4212162 11 O -1.3298396 0.0000000 -0.5898561 0.0000000 -0.9590264 0.0000000 -0.4974896 0.0000000 -1.4212162 12 O -1.3298396 0.0000000 -0.5898561 0.0000000 -0.9590264 0.0000000 -0.4974896 0.0000000 -1.4212162 13 O -1.3709068 0.0000000 -0.3527907 0.0000000 -0.8006616 0.0000000 -0.3264343 0.0000000 -0.9224674 14 O -1.3709068 0.0000000 -0.3527907 0.0000000 -0.8006616 0.0000000 -0.3264343 0.0000000 -0.9224674 15 O -1.3709068 0.0000000 0.3527907 0.0000000 -0.8006616 0.0000000 0.3264343 0.0000000 -0.9224674 16 O -1.3709068 0.0000000 0.3527907 0.0000000 -0.8006616 0.0000000 0.3264343 0.0000000 -0.9224674 17 Br 2.8102195 0.0000000 0.0373189 0.0000000 3.5326226 0.0000000 0.2315599 0.0000000 3.1589237 18 Br 2.8102195 0.0000000 0.0373189 0.0000000 3.5326226 0.0000000 0.2315599 0.0000000 3.1589237 19 Br 2.8102195 0.0000000 -0.0373189 0.0000000 3.5326226 0.0000000 -0.2315599 0.0000000 3.1589237 20 Br 2.8102195 0.0000000 -0.0373189 0.0000000 3.5326226 0.0000000 -0.2315599 0.0000000 3.1589237 21 Tl 1.8718665 0.0000000 0.0920567 0.0000000 1.7546977 0.0000000 0.1535907 0.0000000 1.7601212 22 Tl 1.8718665 0.0000000 0.0920567 0.0000000 1.7546977 0.0000000 0.1535907 0.0000000 1.7601212 23 Tl 1.8718665 0.0000000 -0.0920567 0.0000000 1.7546977 0.0000000 -0.1535907 0.0000000 1.7601212 24 Tl 1.8718665 0.0000000 -0.0920567 0.0000000 1.7546977 0.0000000 -0.1535907 0.0000000 1.7601212 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (xzx) 0.00000007 (xzx) 0.00000007 (xxz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 5 8 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 297, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.593 ( 0.000 0.000 0.000) 0.000 0.723 ( 0.000 0.000 0.000) 0.000 0.782 ( 0.000 0.000 0.000) 0.000 0.806 ( 0.000 0.000 0.000) 0.000 0.923 ( 0.000 0.000 0.000) 0.000 0.971 ( 0.000 0.000 0.000) 0.000 1.036 ( 0.000 0.000 0.000) 0.000 1.051 ( 0.000 0.000 0.000) 0.000 1.183 ( 0.000 0.000 0.000) 0.000 1.239 ( 0.000 0.000 0.000) 0.000 1.259 ( 0.000 0.000 0.000) 0.000 1.374 ( 0.000 0.000 0.000) 0.000 1.564 ( 0.000 0.000 0.000) 0.000 1.646 ( 0.000 0.000 0.000) 0.000 1.724 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 0.000 0.000) 0.000 1.803 ( 0.000 0.000 0.000) 0.000 1.899 ( 0.000 0.000 0.000) 0.000 1.963 ( 0.000 0.000 0.000) 0.000 2.017 ( 0.000 0.000 0.000) 0.000 2.085 ( 0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.255 ( 0.000 0.000 0.000) 0.000 2.258 ( 0.000 0.000 0.000) 0.000 2.274 ( 0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.332 ( 0.000 0.000 0.000) 0.000 2.436 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.857 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 8.799 ( 0.000 0.000 0.000) 0.000 8.901 ( 0.000 0.000 0.000) 0.000 8.908 ( 0.000 0.000 0.000) 0.000 8.932 ( 0.000 0.000 0.000) 0.000 8.934 ( 0.000 0.000 0.000) 0.000 8.948 ( 0.000 0.000 0.000) 0.000 9.024 ( 0.000 0.000 0.000) 0.000 9.363 ( 0.000 0.000 0.000) 0.000 10.784 ( 0.000 0.000 0.000) 0.000 10.801 ( 0.000 0.000 0.000) 0.000 11.020 ( 0.000 0.000 0.000) 0.000 11.103 ( 0.000 0.000 0.000) 0.000 11.107 ( 0.000 0.000 0.000) 0.000 11.132 ( 0.000 0.000 0.000) 0.000 11.184 ( 0.000 0.000 0.000) 0.000 11.231 ( 0.000 0.000 0.000) 0.000 11.396 ( 0.000 0.000 0.000) 0.000 11.437 ( 0.000 0.000 0.000) 0.000 11.547 ( 0.000 0.000 0.000) 0.000 11.666 ( 0.000 0.000 0.000) 0.000 23.192 ( 0.000 0.000 0.000) 0.000 23.209 ( 0.000 0.000 0.000) 0.000 23.235 ( 0.000 0.000 0.000) 0.000 23.254 ( 0.000 0.000 0.000) 0.000 24.140 ( 0.000 0.000 0.000) 0.000 24.240 ( 0.000 0.000 0.000) 0.000 24.279 ( 0.000 0.000 0.000) 0.000 24.487 ( 0.000 0.000 0.000) 0.000 24.671 ( 0.000 0.000 0.000) 0.000 24.744 ( 0.000 0.000 0.000) 0.000 24.761 ( 0.000 0.000 0.000) 0.000 25.130 ( 0.000 0.000 0.000) 0.000 25.132 ( 0.000 0.000 0.000) 0.000 25.203 ( 0.000 0.000 0.000) 0.000 25.393 ( 0.000 0.000 0.000) 0.000 25.967 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.164 ( 8.000 0.000 0.000) 8.000 0.196 ( 8.784 0.000 0.000) 8.784 0.433 ( 16.400 0.000 0.000) 16.400 0.570 ( -1.838 0.000 0.000) 1.838 0.730 ( 0.760 0.000 0.000) 0.760 0.779 ( -2.009 0.000 0.000) 2.009 0.804 ( 1.164 0.000 0.000) 1.164 0.916 ( -0.488 0.000 0.000) 0.488 0.941 ( -1.728 0.000 0.000) 1.728 1.000 ( -2.162 0.000 0.000) 2.162 1.074 ( 1.803 0.000 0.000) 1.803 1.169 ( -1.181 0.000 0.000) 1.181 1.175 ( -6.048 0.000 0.000) 6.048 1.323 ( -3.926 0.000 0.000) 3.926 1.335 ( -2.825 0.000 0.000) 2.825 1.580 ( 1.539 0.000 0.000) 1.539 1.626 ( -10.988 0.000 0.000) 10.988 1.653 ( 0.007 0.000 0.000) 0.007 1.771 ( -2.375 0.000 0.000) 2.375 1.924 ( -4.561 0.000 0.000) 4.561 1.935 ( 1.355 0.000 0.000) 1.355 1.971 ( 2.262 0.000 0.000) 2.262 1.990 ( -1.473 0.000 0.000) 1.473 2.179 ( -5.370 0.000 0.000) 5.370 2.181 ( 4.488 0.000 0.000) 4.488 2.184 ( 6.828 0.000 0.000) 6.828 2.252 ( 1.548 0.000 0.000) 1.548 2.332 ( 4.147 0.000 0.000) 4.147 2.398 ( 4.081 0.000 0.000) 4.081 2.419 ( 9.800 0.000 0.000) 9.800 2.488 ( 3.805 0.000 0.000) 3.805 2.589 ( -3.840 0.000 0.000) 3.840 2.821 ( -3.210 0.000 0.000) 3.210 2.889 ( -2.166 0.000 0.000) 2.166 2.957 ( 0.001 0.000 0.000) 0.001 3.095 ( -2.291 0.000 0.000) 2.291 8.811 ( 1.094 0.000 0.000) 1.094 8.904 ( 0.337 0.000 0.000) 0.337 8.913 ( 0.383 0.000 0.000) 0.383 8.919 ( -1.158 0.000 0.000) 1.158 8.934 ( -0.065 0.000 0.000) 0.065 8.943 ( -0.430 0.000 0.000) 0.430 9.047 ( 2.032 0.000 0.000) 2.032 9.324 ( -4.125 0.000 0.000) 4.125 10.787 ( 0.193 0.000 0.000) 0.193 10.800 ( -0.093 0.000 0.000) 0.093 11.025 ( 0.526 0.000 0.000) 0.526 11.096 ( -0.942 0.000 0.000) 0.942 11.150 ( 3.676 0.000 0.000) 3.676 11.186 ( 0.247 0.000 0.000) 0.247 11.225 ( -0.556 0.000 0.000) 0.556 11.410 ( -2.308 0.000 0.000) 2.308 11.414 ( 1.527 0.000 0.000) 1.527 11.536 ( -0.986 0.000 0.000) 0.986 11.658 ( 0.461 0.000 0.000) 0.461 11.671 ( 0.341 0.000 0.000) 0.341 23.190 ( -0.158 0.000 0.000) 0.158 23.200 ( -0.583 0.000 0.000) 0.583 23.247 ( 0.604 0.000 0.000) 0.604 23.256 ( 0.195 0.000 0.000) 0.195 24.148 ( 0.729 0.000 0.000) 0.729 24.229 ( -0.918 0.000 0.000) 0.918 24.301 ( 1.855 0.000 0.000) 1.855 24.468 ( -1.676 0.000 0.000) 1.676 24.671 ( 0.020 0.000 0.000) 0.020 24.710 ( -1.476 0.000 0.000) 1.476 24.815 ( 3.299 0.000 0.000) 3.299 25.092 ( -3.375 0.000 0.000) 3.375 25.155 ( 2.263 0.000 0.000) 2.263 25.369 ( -2.179 0.000 0.000) 2.179 25.982 ( 1.255 0.000 0.000) 1.255 26.044 ( -0.250 0.000 0.000) 0.250 ======================= Grid point 2 (3/60) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 9.224 0.000 0.000) 9.224 0.377 ( 7.537 0.000 0.000) 7.537 0.508 ( -4.208 0.000 0.000) 4.208 0.539 ( -6.033 0.000 0.000) 6.033 0.760 ( 1.883 0.000 0.000) 1.883 0.802 ( -1.474 0.000 0.000) 1.474 0.812 ( 5.578 0.000 0.000) 5.578 0.912 ( 0.225 0.000 0.000) 0.225 0.939 ( -1.637 0.000 0.000) 1.637 0.991 ( -9.499 0.000 0.000) 9.499 1.074 ( 12.519 0.000 0.000) 12.519 1.114 ( 1.567 0.000 0.000) 1.567 1.142 ( -1.163 0.000 0.000) 1.163 1.266 ( -0.878 0.000 0.000) 0.878 1.280 ( -1.883 0.000 0.000) 1.883 1.369 ( -12.755 0.000 0.000) 12.755 1.631 ( 3.040 0.000 0.000) 3.040 1.680 ( 3.027 0.000 0.000) 3.027 1.705 ( -3.415 0.000 0.000) 3.415 1.787 ( -6.439 0.000 0.000) 6.439 1.973 ( 1.617 0.000 0.000) 1.617 1.987 ( 1.592 0.000 0.000) 1.592 1.995 ( -0.189 0.000 0.000) 0.189 2.060 ( -4.847 0.000 0.000) 4.847 2.288 ( 3.706 0.000 0.000) 3.706 2.299 ( 2.821 0.000 0.000) 2.821 2.336 ( 5.640 0.000 0.000) 5.640 2.415 ( 2.783 0.000 0.000) 2.783 2.451 ( 0.364 0.000 0.000) 0.364 2.476 ( -6.003 0.000 0.000) 6.003 2.595 ( 5.839 0.000 0.000) 5.839 2.640 ( 9.420 0.000 0.000) 9.420 2.724 ( -5.485 0.000 0.000) 5.485 2.807 ( -5.603 0.000 0.000) 5.603 2.971 ( 1.584 0.000 0.000) 1.584 3.028 ( -3.366 0.000 0.000) 3.366 8.844 ( 1.812 0.000 0.000) 1.812 8.885 ( -1.850 0.000 0.000) 1.850 8.915 ( 0.631 0.000 0.000) 0.631 8.923 ( 0.450 0.000 0.000) 0.450 8.930 ( -0.682 0.000 0.000) 0.682 8.931 ( -0.255 0.000 0.000) 0.255 9.113 ( 3.979 0.000 0.000) 3.979 9.216 ( -5.206 0.000 0.000) 5.206 10.792 ( 0.263 0.000 0.000) 0.263 10.797 ( -0.199 0.000 0.000) 0.199 11.043 ( 1.073 0.000 0.000) 1.073 11.070 ( -1.312 0.000 0.000) 1.312 11.195 ( 0.556 0.000 0.000) 0.556 11.210 ( -0.749 0.000 0.000) 0.749 11.246 ( 4.650 0.000 0.000) 4.650 11.341 ( -3.893 0.000 0.000) 3.893 11.457 ( 2.277 0.000 0.000) 2.277 11.505 ( -1.890 0.000 0.000) 1.890 11.669 ( 0.481 0.000 0.000) 0.481 11.675 ( -0.041 0.000 0.000) 0.041 23.187 ( -0.048 0.000 0.000) 0.048 23.190 ( -0.288 0.000 0.000) 0.288 23.258 ( 0.303 0.000 0.000) 0.303 23.260 ( 0.069 0.000 0.000) 0.069 24.171 ( 1.321 0.000 0.000) 1.321 24.202 ( -1.427 0.000 0.000) 1.427 24.354 ( 2.865 0.000 0.000) 2.865 24.418 ( -2.766 0.000 0.000) 2.766 24.674 ( 0.290 0.000 0.000) 0.290 24.685 ( -0.822 0.000 0.000) 0.822 24.899 ( 4.321 0.000 0.000) 4.321 25.000 ( -4.693 0.000 0.000) 4.693 25.222 ( 3.641 0.000 0.000) 3.641 25.304 ( -3.585 0.000 0.000) 3.585 26.012 ( 1.296 0.000 0.000) 1.296 26.034 ( -0.722 0.000 0.000) 0.722 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.193 ( 0.000 9.151 0.000) 9.151 0.249 ( 0.000 12.355 0.000) 12.355 0.466 ( 0.000 21.381 0.000) 21.381 0.614 ( 0.000 1.999 0.000) 1.999 0.757 ( 0.000 -2.260 0.000) 2.260 0.819 ( 0.000 6.837 0.000) 6.837 0.823 ( 0.000 1.484 0.000) 1.484 0.910 ( 0.000 -1.171 0.000) 1.171 0.970 ( 0.000 1.050 0.000) 1.050 1.026 ( 0.000 -0.950 0.000) 0.950 1.207 ( 0.000 1.965 0.000) 1.965 1.241 ( 0.000 -1.326 0.000) 1.326 1.244 ( 0.000 0.382 0.000) 0.382 1.339 ( 0.000 -3.282 0.000) 3.282 1.494 ( 0.000 -7.316 0.000) 7.316 1.532 ( 0.000 -2.324 0.000) 2.324 1.726 ( 0.000 0.251 0.000) 0.251 1.735 ( 0.000 -6.501 0.000) 6.501 1.754 ( 0.000 4.716 0.000) 4.716 1.796 ( 0.000 -0.069 0.000) 0.069 1.915 ( 0.000 -3.699 0.000) 3.699 1.940 ( 0.000 3.143 0.000) 3.143 2.025 ( 0.000 -5.005 0.000) 5.005 2.076 ( 0.000 5.049 0.000) 5.049 2.109 ( 0.000 -1.883 0.000) 1.883 2.237 ( 0.000 -1.668 0.000) 1.668 2.268 ( 0.000 0.459 0.000) 0.459 2.315 ( 0.000 4.974 0.000) 4.974 2.318 ( 0.000 -0.688 0.000) 0.688 2.335 ( 0.000 3.912 0.000) 3.912 2.465 ( 0.000 2.209 0.000) 2.209 2.650 ( 0.000 1.666 0.000) 1.666 2.736 ( 0.000 -1.740 0.000) 1.740 2.893 ( 0.000 -1.593 0.000) 1.593 2.997 ( 0.000 -2.565 0.000) 2.565 3.079 ( 0.000 -3.780 0.000) 3.780 8.839 ( 0.000 3.305 0.000) 3.305 8.856 ( 0.000 -1.290 0.000) 1.290 8.914 ( 0.000 -1.674 0.000) 1.674 8.916 ( 0.000 -1.669 0.000) 1.669 8.951 ( 0.000 0.233 0.000) 0.233 9.002 ( 0.000 5.877 0.000) 5.877 9.038 ( 0.000 1.627 0.000) 1.627 9.324 ( 0.000 -3.557 0.000) 3.557 10.801 ( 0.000 1.518 0.000) 1.518 11.031 ( 0.000 1.001 0.000) 1.001 11.077 ( 0.000 -2.522 0.000) 2.522 11.097 ( 0.000 -0.461 0.000) 0.461 11.135 ( 0.000 0.252 0.000) 0.252 11.214 ( 0.000 2.707 0.000) 2.707 11.241 ( 0.000 0.659 0.000) 0.659 11.309 ( 0.000 -4.326 0.000) 4.326 11.419 ( 0.000 -1.623 0.000) 1.623 11.468 ( 0.000 2.671 0.000) 2.671 11.531 ( 0.000 -1.433 0.000) 1.433 11.647 ( 0.000 -1.763 0.000) 1.763 23.193 ( 0.000 0.152 0.000) 0.152 23.208 ( 0.000 -0.051 0.000) 0.051 23.229 ( 0.000 -0.493 0.000) 0.493 23.250 ( 0.000 -0.375 0.000) 0.375 24.239 ( 0.000 -0.083 0.000) 0.083 24.325 ( 0.000 4.040 0.000) 4.040 24.460 ( 0.000 -2.424 0.000) 2.424 24.691 ( 0.000 1.869 0.000) 1.869 24.742 ( 0.000 -0.256 0.000) 0.256 24.792 ( 0.000 3.042 0.000) 3.042 25.108 ( 0.000 -2.215 0.000) 2.215 25.117 ( 0.000 -1.174 0.000) 1.174 25.197 ( 0.000 -0.582 0.000) 0.582 25.402 ( 0.000 0.884 0.000) 0.884 25.499 ( 0.000 -0.857 0.000) 0.857 25.925 ( 0.000 -3.848 0.000) 3.848 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.20 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( 4.838 6.789 0.000) 8.336 0.311 ( 3.928 8.776 0.000) 9.615 0.562 ( -4.005 -0.518 0.000) 4.038 0.589 ( 7.032 12.237 0.000) 14.113 0.796 ( 2.567 -0.906 0.000) 2.723 0.799 ( -0.434 2.292 0.000) 2.333 0.824 ( 0.251 5.711 0.000) 5.717 0.909 ( -0.192 -0.587 0.000) 0.617 0.928 ( -1.793 0.228 0.000) 1.808 1.004 ( -1.639 1.234 0.000) 2.052 1.117 ( -5.805 -0.139 0.000) 5.806 1.149 ( -4.749 -0.121 0.000) 4.751 1.217 ( -3.552 1.129 0.000) 3.727 1.313 ( -1.297 -1.888 0.000) 2.291 1.361 ( -5.130 0.499 0.000) 5.154 1.530 ( -0.584 -2.926 0.000) 2.984 1.612 ( -8.317 -2.883 0.000) 8.803 1.658 ( -2.985 1.587 0.000) 3.380 1.780 ( 1.255 1.845 0.000) 2.232 1.895 ( -2.286 -2.752 0.000) 3.577 1.929 ( 4.387 -1.873 0.000) 4.770 1.933 ( 0.441 0.057 0.000) 0.444 2.070 ( -0.092 3.889 0.000) 3.890 2.131 ( 6.139 -3.499 0.000) 7.066 2.163 ( 4.552 -0.709 0.000) 4.606 2.200 ( -2.235 0.762 0.000) 2.362 2.281 ( 1.958 2.241 0.000) 2.975 2.359 ( 4.867 3.471 0.000) 5.978 2.374 ( 3.848 -2.285 0.000) 4.475 2.483 ( 5.765 3.005 0.000) 6.501 2.490 ( 2.028 0.401 0.000) 2.067 2.622 ( -1.556 2.652 0.000) 3.075 2.731 ( -0.946 -4.470 0.000) 4.569 2.876 ( -1.663 -1.129 0.000) 2.010 2.932 ( -3.321 -2.786 0.000) 4.335 3.054 ( -2.260 -3.681 0.000) 4.319 8.847 ( 0.729 2.705 0.000) 2.801 8.865 ( 0.756 -0.951 0.000) 1.215 8.914 ( -0.104 -1.287 0.000) 1.291 8.921 ( -0.367 -0.677 0.000) 0.771 8.954 ( 0.320 0.582 0.000) 0.664 8.991 ( -0.715 4.643 0.000) 4.698 9.064 ( 1.985 1.971 0.000) 2.798 9.289 ( -3.144 -3.015 0.000) 4.356 10.801 ( -0.074 1.276 0.000) 1.278 10.868 ( -7.123 3.948 0.000) 8.144 11.032 ( -0.269 0.436 0.000) 0.512 11.071 ( -0.519 -2.168 0.000) 2.229 11.139 ( 2.671 -0.497 0.000) 2.717 11.222 ( 1.129 2.719 0.000) 2.944 11.232 ( -0.776 0.534 0.000) 0.942 11.395 ( -2.114 -1.488 0.000) 2.585 11.436 ( 1.390 1.159 0.000) 1.810 11.522 ( -0.797 -1.229 0.000) 1.465 11.554 ( 4.978 -6.273 0.000) 8.009 11.650 ( 0.153 -1.927 0.000) 1.933 23.191 ( -0.160 0.158 0.000) 0.224 23.197 ( -0.575 -0.040 0.000) 0.577 23.241 ( 0.646 -0.535 0.000) 0.839 23.252 ( 0.179 -0.393 0.000) 0.432 24.242 ( 0.341 1.129 0.000) 1.179 24.333 ( 0.456 4.069 0.000) 4.095 24.454 ( -0.619 -1.336 0.000) 1.472 24.552 ( -17.382 20.952 0.000) 27.223 24.687 ( -0.336 1.506 0.000) 1.543 24.727 ( -1.921 1.807 0.000) 2.637 24.834 ( 2.106 2.031 0.000) 2.926 25.071 ( -3.120 -1.957 0.000) 3.683 25.147 ( 2.471 -0.664 0.000) 2.558 25.376 ( -2.307 0.774 0.000) 2.433 25.867 ( 7.973 -12.287 0.000) 14.647 25.936 ( 0.853 -4.260 0.000) 4.344 ======================= Grid point 7 (6/60) ======================= q-point: ( 0.40 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 2.933 2.034 0.000) 3.569 0.390 ( 7.651 3.750 0.000) 8.521 0.465 ( -4.285 -2.990 0.000) 5.225 0.565 ( -7.068 2.699 0.000) 7.565 0.829 ( 0.523 4.058 0.000) 4.092 0.834 ( 0.544 2.624 0.000) 2.680 0.858 ( 4.020 2.930 0.000) 4.974 0.905 ( -0.076 -0.709 0.000) 0.713 0.933 ( -0.193 0.799 0.000) 0.822 1.013 ( -7.053 1.463 0.000) 7.203 1.061 ( 2.176 -2.888 0.000) 3.616 1.089 ( 9.824 0.953 0.000) 9.870 1.117 ( -4.146 -2.534 0.000) 4.859 1.297 ( -0.432 0.156 0.000) 0.459 1.299 ( -0.963 0.506 0.000) 1.088 1.362 ( -12.088 -0.557 0.000) 12.101 1.563 ( 1.338 -3.207 0.000) 3.475 1.603 ( -2.128 -1.175 0.000) 2.431 1.796 ( 0.633 3.740 0.000) 3.793 1.829 ( -2.611 1.817 0.000) 3.181 1.964 ( 1.472 -0.878 0.000) 1.714 1.978 ( 0.495 -0.876 0.000) 1.006 2.080 ( 1.289 6.253 0.000) 6.384 2.127 ( -2.739 5.485 0.000) 6.131 2.250 ( 2.966 -3.853 0.000) 4.863 2.259 ( 2.604 -2.521 0.000) 3.624 2.371 ( 5.709 2.892 0.000) 6.400 2.433 ( 1.533 1.971 0.000) 2.497 2.441 ( 1.348 -1.119 0.000) 1.752 2.490 ( -4.152 1.553 0.000) 4.433 2.554 ( 4.155 -3.279 0.000) 5.293 2.644 ( -1.346 -3.373 0.000) 3.632 2.706 ( 2.961 2.159 0.000) 3.665 2.813 ( -4.263 0.419 0.000) 4.284 2.914 ( 1.809 -4.912 0.000) 5.235 2.984 ( -3.812 -3.854 0.000) 5.420 8.870 ( 1.311 1.637 0.000) 2.097 8.886 ( 1.038 -0.593 0.000) 1.195 8.900 ( -1.342 0.609 0.000) 1.474 8.906 ( -0.704 -0.745 0.000) 1.025 8.963 ( 0.519 1.927 0.000) 1.996 8.976 ( -0.626 3.327 0.000) 3.386 9.121 ( 3.255 0.826 0.000) 3.358 9.204 ( -4.170 -1.119 0.000) 4.317 10.797 ( -0.186 0.594 0.000) 0.622 10.800 ( -0.766 0.510 0.000) 0.921 11.039 ( 0.700 -0.467 0.000) 0.842 11.056 ( -0.787 -1.316 0.000) 1.533 11.183 ( 1.417 -0.619 0.000) 1.546 11.210 ( -1.142 0.108 0.000) 1.147 11.270 ( 2.932 1.692 0.000) 3.385 11.336 ( -3.012 -0.496 0.000) 3.053 11.463 ( 1.450 0.420 0.000) 1.509 11.497 ( -1.489 -0.677 0.000) 1.635 11.622 ( 1.843 -3.971 0.000) 4.378 11.647 ( -0.563 -2.533 0.000) 2.595 23.188 ( -0.103 0.123 0.000) 0.160 23.189 ( -0.183 0.018 0.000) 0.184 23.252 ( 0.336 -0.514 0.000) 0.614 23.255 ( 0.036 -0.447 0.000) 0.449 24.257 ( 1.134 4.566 0.000) 4.705 24.301 ( -2.990 8.711 0.000) 9.210 24.407 ( 0.332 6.197 0.000) 6.206 24.433 ( -1.273 1.450 0.000) 1.930 24.683 ( 0.124 0.858 0.000) 0.867 24.696 ( -1.045 0.887 0.000) 1.370 24.899 ( 3.632 -0.087 0.000) 3.633 24.987 ( -4.236 -1.267 0.000) 4.421 25.219 ( 3.939 -0.104 0.000) 3.941 25.307 ( -3.831 0.435 0.000) 3.855 25.948 ( 1.242 -7.623 0.000) 7.723 25.953 ( 0.471 -5.419 0.000) 5.440 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 0.000 8.365 0.000) 8.365 0.507 ( 0.000 12.267 0.000) 12.267 0.669 ( 0.000 3.032 0.000) 3.032 0.704 ( 0.000 -2.380 0.000) 2.380 0.854 ( 0.000 12.547 0.000) 12.547 0.856 ( 0.000 3.315 0.000) 3.315 0.874 ( 0.000 -0.448 0.000) 0.448 0.875 ( 0.000 -2.298 0.000) 2.298 1.007 ( 0.000 0.443 0.000) 0.443 1.069 ( 0.000 4.830 0.000) 4.830 1.236 ( 0.000 -3.141 0.000) 3.141 1.240 ( 0.000 3.013 0.000) 3.013 1.245 ( 0.000 1.202 0.000) 1.202 1.260 ( 0.000 -2.022 0.000) 2.022 1.351 ( 0.000 -6.245 0.000) 6.245 1.499 ( 0.000 -0.406 0.000) 0.406 1.550 ( 0.000 -10.599 0.000) 10.599 1.740 ( 0.000 1.300 0.000) 1.300 1.802 ( 0.000 0.803 0.000) 0.803 1.836 ( 0.000 -4.364 0.000) 4.364 1.842 ( 0.000 3.762 0.000) 3.762 1.917 ( 0.000 -4.039 0.000) 4.039 1.999 ( 0.000 2.147 0.000) 2.147 2.054 ( 0.000 -3.210 0.000) 3.210 2.175 ( 0.000 -3.818 0.000) 3.818 2.195 ( 0.000 5.917 0.000) 5.917 2.252 ( 0.000 -2.023 0.000) 2.023 2.326 ( 0.000 1.406 0.000) 1.406 2.410 ( 0.000 2.206 0.000) 2.206 2.428 ( 0.000 5.071 0.000) 5.071 2.500 ( 0.000 0.762 0.000) 0.762 2.696 ( 0.000 -1.710 0.000) 1.710 2.704 ( 0.000 3.607 0.000) 3.607 2.857 ( 0.000 -1.605 0.000) 1.605 2.927 ( 0.000 -3.814 0.000) 3.814 2.982 ( 0.000 -4.989 0.000) 4.989 8.846 ( 0.000 0.157 0.000) 0.157 8.871 ( 0.000 -2.291 0.000) 2.291 8.874 ( 0.000 -2.243 0.000) 2.243 8.895 ( 0.000 1.445 0.000) 1.445 8.959 ( 0.000 0.634 0.000) 0.634 9.111 ( 0.000 5.440 0.000) 5.440 9.137 ( 0.000 6.693 0.000) 6.693 9.229 ( 0.000 -5.281 0.000) 5.281 10.841 ( 0.000 2.110 0.000) 2.110 11.018 ( 0.000 -2.921 0.000) 2.921 11.058 ( 0.000 1.471 0.000) 1.471 11.088 ( 0.000 -0.273 0.000) 0.273 11.141 ( 0.000 0.271 0.000) 0.271 11.225 ( 0.000 -3.634 0.000) 3.634 11.250 ( 0.000 0.185 0.000) 0.185 11.285 ( 0.000 3.912 0.000) 3.912 11.373 ( 0.000 -2.711 0.000) 2.711 11.497 ( 0.000 -1.546 0.000) 1.546 11.503 ( 0.000 0.639 0.000) 0.639 11.598 ( 0.000 -2.796 0.000) 2.796 23.199 ( 0.000 0.393 0.000) 0.393 23.207 ( 0.000 -0.043 0.000) 0.043 23.219 ( 0.000 -0.475 0.000) 0.475 23.240 ( 0.000 -0.485 0.000) 0.485 24.236 ( 0.000 -0.089 0.000) 0.089 24.395 ( 0.000 -3.644 0.000) 3.644 24.425 ( 0.000 5.181 0.000) 5.181 24.728 ( 0.000 -1.214 0.000) 1.214 24.743 ( 0.000 2.994 0.000) 2.994 24.888 ( 0.000 6.080 0.000) 6.080 25.045 ( 0.000 -3.651 0.000) 3.651 25.089 ( 0.000 -1.280 0.000) 1.280 25.182 ( 0.000 -0.673 0.000) 0.673 25.431 ( 0.000 1.949 0.000) 1.949 25.467 ( 0.000 -2.424 0.000) 2.424 25.818 ( 0.000 -6.163 0.000) 6.163 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 2.300 7.088 0.000) 7.452 0.515 ( 0.092 10.432 0.000) 10.433 0.567 ( -6.726 1.361 0.000) 6.862 0.769 ( 4.992 -1.352 0.000) 5.172 0.788 ( -5.724 3.680 0.000) 6.805 0.825 ( -2.398 -0.270 0.000) 2.414 0.892 ( 0.168 -1.246 0.000) 1.257 0.893 ( 0.644 3.399 0.000) 3.460 0.996 ( 2.276 4.981 0.000) 5.477 1.071 ( -1.885 1.379 0.000) 2.335 1.138 ( -5.219 7.223 0.000) 8.911 1.159 ( -5.385 0.781 0.000) 5.441 1.187 ( -5.003 -3.427 0.000) 6.064 1.260 ( -1.045 -3.424 0.000) 3.580 1.305 ( -3.962 -4.597 0.000) 6.069 1.482 ( -2.982 -4.738 0.000) 5.599 1.525 ( -0.375 -1.807 0.000) 1.846 1.710 ( -2.639 2.983 0.000) 3.983 1.826 ( -0.485 -4.078 0.000) 4.106 1.836 ( 1.931 2.200 0.000) 2.927 1.895 ( 3.656 -0.636 0.000) 3.711 1.916 ( 0.584 -1.467 0.000) 1.579 2.072 ( 2.020 -2.785 0.000) 3.441 2.072 ( 4.922 -1.697 0.000) 5.207 2.202 ( 1.883 -0.706 0.000) 2.011 2.216 ( 1.672 4.478 0.000) 4.779 2.289 ( 3.267 -3.369 0.000) 4.693 2.353 ( 2.698 2.362 0.000) 3.586 2.443 ( 3.336 3.173 0.000) 4.604 2.505 ( 0.385 0.760 0.000) 0.852 2.505 ( 3.330 -0.654 0.000) 3.394 2.649 ( -2.744 2.011 0.000) 3.402 2.728 ( 1.796 1.394 0.000) 2.274 2.850 ( -0.836 -1.248 0.000) 1.502 2.863 ( -4.978 -2.588 0.000) 5.610 2.963 ( -1.804 -4.529 0.000) 4.875 8.852 ( 0.556 0.087 0.000) 0.563 8.882 ( 0.643 -1.625 0.000) 1.747 8.895 ( 1.378 -1.647 0.000) 2.147 8.900 ( 0.395 1.300 0.000) 1.358 8.966 ( 0.909 0.691 0.000) 1.141 9.095 ( -1.306 5.528 0.000) 5.680 9.140 ( 0.205 4.966 0.000) 4.970 9.210 ( -1.585 -4.407 0.000) 4.683 10.835 ( -0.524 1.936 0.000) 2.006 10.933 ( -7.992 2.504 0.000) 8.375 11.018 ( 0.051 -2.674 0.000) 2.675 11.036 ( -1.442 -0.074 0.000) 1.444 11.141 ( 2.399 0.766 0.000) 2.519 11.241 ( -0.815 0.283 0.000) 0.863 11.279 ( 0.716 2.270 0.000) 2.380 11.353 ( -1.609 -2.454 0.000) 2.934 11.405 ( 6.748 -3.316 0.000) 7.519 11.493 ( -0.475 -0.264 0.000) 0.543 11.494 ( -0.364 -1.300 0.000) 1.350 11.598 ( -0.183 -2.947 0.000) 2.952 23.197 ( -0.158 0.397 0.000) 0.427 23.198 ( -0.445 0.154 0.000) 0.471 23.228 ( 0.559 -0.617 0.000) 0.832 23.242 ( 0.116 -0.540 0.000) 0.552 24.269 ( 2.873 1.283 0.000) 3.146 24.416 ( 1.876 -2.197 0.000) 2.889 24.432 ( 0.457 5.184 0.000) 5.204 24.719 ( -1.084 0.307 0.000) 1.127 24.731 ( -1.000 2.677 0.000) 2.858 24.849 ( -6.878 6.013 0.000) 9.136 24.919 ( -8.439 5.411 0.000) 10.025 25.015 ( -2.583 -3.344 0.000) 4.225 25.144 ( 2.914 0.913 0.000) 3.053 25.404 ( -2.467 1.928 0.000) 3.131 25.638 ( 7.916 -9.565 0.000) 12.416 25.818 ( -0.095 -6.749 0.000) 6.750 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( -0.696 1.742 0.000) 1.876 0.483 ( -3.206 6.943 0.000) 7.647 0.498 ( 4.273 5.666 0.000) 7.096 0.637 ( -7.368 3.365 0.000) 8.100 0.796 ( 0.983 -4.181 0.000) 4.295 0.849 ( -2.003 -2.672 0.000) 3.339 0.902 ( 4.161 0.930 0.000) 4.264 0.906 ( 1.699 1.562 0.000) 2.308 0.998 ( -0.342 -2.328 0.000) 2.353 1.036 ( -5.034 0.603 0.000) 5.070 1.051 ( -3.597 7.719 0.000) 8.516 1.059 ( -5.117 -2.065 0.000) 5.518 1.155 ( 8.088 4.490 0.000) 9.251 1.233 ( -1.035 -5.186 0.000) 5.288 1.237 ( -1.288 -5.522 0.000) 5.670 1.349 ( -8.117 -0.993 0.000) 8.178 1.564 ( 3.056 2.184 0.000) 3.757 1.640 ( -3.585 3.250 0.000) 4.839 1.832 ( 1.011 -1.552 0.000) 1.852 1.854 ( -0.456 1.722 0.000) 1.782 1.937 ( 0.943 -1.296 0.000) 1.602 1.942 ( 0.680 -1.915 0.000) 2.032 2.137 ( 2.935 -3.277 0.000) 4.399 2.157 ( 1.813 -4.625 0.000) 4.968 2.234 ( 1.063 3.399 0.000) 3.561 2.246 ( 0.475 2.826 0.000) 2.866 2.386 ( 5.148 -4.099 0.000) 6.580 2.451 ( 5.868 4.151 0.000) 7.188 2.485 ( -2.481 1.722 0.000) 3.020 2.509 ( -0.271 -2.702 0.000) 2.715 2.514 ( 0.423 0.447 0.000) 0.615 2.585 ( -4.228 2.919 0.000) 5.138 2.778 ( -0.695 0.303 0.000) 0.758 2.807 ( 4.606 -1.546 0.000) 4.859 2.813 ( -2.402 -0.708 0.000) 2.504 2.903 ( -3.693 -2.933 0.000) 4.716 8.869 ( 0.921 -0.127 0.000) 0.929 8.886 ( -0.475 -0.595 0.000) 0.761 8.909 ( 0.354 0.869 0.000) 0.938 8.911 ( 0.261 -0.053 0.000) 0.266 9.006 ( 2.404 1.997 0.000) 3.125 9.057 ( -2.120 4.283 0.000) 4.779 9.148 ( 0.626 1.673 0.000) 1.786 9.172 ( -1.578 -1.894 0.000) 2.465 10.820 ( -0.631 1.658 0.000) 1.774 10.827 ( -1.924 2.142 0.000) 2.880 11.020 ( 0.087 -2.029 0.000) 2.031 11.022 ( -0.180 -1.154 0.000) 1.168 11.181 ( 1.514 0.539 0.000) 1.608 11.215 ( -1.505 0.354 0.000) 1.546 11.299 ( 0.958 0.939 0.000) 1.341 11.320 ( -1.132 -1.131 0.000) 1.601 11.469 ( 0.344 0.061 0.000) 0.349 11.481 ( -0.713 -0.714 0.000) 1.009 11.532 ( 3.227 -4.195 0.000) 5.293 11.583 ( -1.394 -3.412 0.000) 3.686 23.192 ( -0.098 0.328 0.000) 0.342 23.193 ( -0.149 0.386 0.000) 0.414 23.239 ( 0.362 -0.712 0.000) 0.799 23.243 ( -0.052 -0.655 0.000) 0.657 24.355 ( 4.568 4.257 0.000) 6.244 24.428 ( -1.439 5.013 0.000) 5.216 24.475 ( 3.639 2.361 0.000) 4.337 24.601 ( -8.347 9.495 0.000) 12.643 24.709 ( -0.708 1.679 0.000) 1.822 24.713 ( -1.332 0.496 0.000) 1.422 24.892 ( 1.417 -0.615 0.000) 1.544 24.947 ( -3.218 -2.535 0.000) 4.097 25.230 ( 4.558 1.438 0.000) 4.779 25.329 ( -4.211 1.800 0.000) 4.580 25.758 ( 3.483 -9.895 0.000) 10.490 25.806 ( -1.178 -8.218 0.000) 8.302 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 0.000 6.836 0.000) 6.836 0.673 ( 0.000 -0.593 0.000) 0.593 0.723 ( 0.000 1.905 0.000) 1.905 0.739 ( 0.000 9.592 0.000) 9.592 0.814 ( 0.000 -3.501 0.000) 3.501 0.865 ( 0.000 0.108 0.000) 0.108 0.870 ( 0.000 -0.249 0.000) 0.249 0.939 ( 0.000 -0.620 0.000) 0.620 1.090 ( 0.000 -0.670 0.000) 0.670 1.145 ( 0.000 4.173 0.000) 4.173 1.153 ( 0.000 -2.859 0.000) 2.859 1.238 ( 0.000 -2.589 0.000) 2.589 1.249 ( 0.000 0.006 0.000) 0.006 1.260 ( 0.000 0.496 0.000) 0.496 1.344 ( 0.000 -7.657 0.000) 7.657 1.349 ( 0.000 4.254 0.000) 4.254 1.521 ( 0.000 2.395 0.000) 2.395 1.716 ( 0.000 -6.479 0.000) 6.479 1.791 ( 0.000 3.870 0.000) 3.870 1.831 ( 0.000 2.039 0.000) 2.039 1.893 ( 0.000 0.594 0.000) 0.594 1.899 ( 0.000 1.703 0.000) 1.703 1.986 ( 0.000 -3.320 0.000) 3.320 2.016 ( 0.000 -1.014 0.000) 1.014 2.109 ( 0.000 -1.624 0.000) 1.624 2.192 ( 0.000 -3.485 0.000) 3.485 2.304 ( 0.000 4.303 0.000) 4.303 2.370 ( 0.000 2.741 0.000) 2.741 2.407 ( 0.000 -1.861 0.000) 1.861 2.488 ( 0.000 -1.885 0.000) 1.885 2.511 ( 0.000 3.356 0.000) 3.356 2.662 ( 0.000 -2.404 0.000) 2.404 2.785 ( 0.000 3.633 0.000) 3.633 2.836 ( 0.000 -0.327 0.000) 0.327 2.863 ( 0.000 -1.894 0.000) 1.894 2.892 ( 0.000 -3.408 0.000) 3.408 8.829 ( 0.000 -1.531 0.000) 1.531 8.832 ( 0.000 -1.618 0.000) 1.618 8.858 ( 0.000 0.971 0.000) 0.971 8.901 ( 0.000 -0.572 0.000) 0.572 8.982 ( 0.000 1.711 0.000) 1.711 9.120 ( 0.000 -4.906 0.000) 4.906 9.232 ( 0.000 5.261 0.000) 5.261 9.257 ( 0.000 4.345 0.000) 4.345 10.882 ( 0.000 1.879 0.000) 1.879 10.962 ( 0.000 -2.376 0.000) 2.376 11.086 ( 0.000 1.043 0.000) 1.043 11.087 ( 0.000 0.146 0.000) 0.146 11.144 ( 0.000 -0.033 0.000) 0.033 11.164 ( 0.000 -2.121 0.000) 2.121 11.253 ( 0.000 0.310 0.000) 0.310 11.315 ( 0.000 -2.693 0.000) 2.693 11.369 ( 0.000 4.013 0.000) 4.013 11.478 ( 0.000 -0.169 0.000) 0.169 11.494 ( 0.000 -1.494 0.000) 1.494 11.539 ( 0.000 -2.733 0.000) 2.733 23.207 ( 0.000 0.011 0.000) 0.011 23.209 ( 0.000 0.568 0.000) 0.568 23.211 ( 0.000 -0.247 0.000) 0.247 23.231 ( 0.000 -0.449 0.000) 0.449 24.239 ( 0.000 0.505 0.000) 0.505 24.320 ( 0.000 -3.377 0.000) 3.377 24.527 ( 0.000 4.627 0.000) 4.627 24.687 ( 0.000 -2.781 0.000) 2.781 24.811 ( 0.000 3.509 0.000) 3.509 24.965 ( 0.000 -3.933 0.000) 3.933 25.018 ( 0.000 5.257 0.000) 5.257 25.071 ( 0.000 -0.366 0.000) 0.366 25.185 ( 0.000 1.800 0.000) 1.800 25.394 ( 0.000 -4.685 0.000) 4.685 25.484 ( 0.000 3.234 0.000) 3.234 25.686 ( 0.000 -6.307 0.000) 6.307 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.20 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -0.608 5.383 0.000) 5.418 0.611 ( -4.134 2.188 0.000) 4.677 0.721 ( -2.190 8.420 0.000) 8.700 0.751 ( 4.910 -0.238 0.000) 4.915 0.791 ( -4.183 -0.446 0.000) 4.207 0.835 ( -4.555 0.822 0.000) 4.628 0.846 ( -0.541 -3.280 0.000) 3.325 0.928 ( -0.188 0.740 0.000) 0.763 1.019 ( -4.509 -0.637 0.000) 4.554 1.110 ( -4.068 -2.347 0.000) 4.696 1.156 ( -1.012 -2.590 0.000) 2.781 1.180 ( -5.761 0.154 0.000) 5.763 1.194 ( -2.427 -1.962 0.000) 3.121 1.230 ( -1.781 4.399 0.000) 4.745 1.298 ( -3.905 5.074 0.000) 6.403 1.328 ( -0.460 -7.851 0.000) 7.865 1.548 ( 2.203 2.378 0.000) 3.242 1.721 ( 0.739 -5.553 0.000) 5.602 1.780 ( -1.748 3.878 0.000) 4.254 1.853 ( 1.533 0.700 0.000) 1.686 1.908 ( 1.453 0.617 0.000) 1.578 1.918 ( 1.310 1.908 0.000) 2.314 1.998 ( 0.989 -4.120 0.000) 4.237 2.040 ( 1.730 -2.105 0.000) 2.724 2.176 ( 4.841 -1.363 0.000) 5.029 2.213 ( 2.137 -3.183 0.000) 3.834 2.297 ( -0.453 3.194 0.000) 3.226 2.414 ( 3.837 2.990 0.000) 4.865 2.423 ( 0.709 -3.281 0.000) 3.356 2.507 ( 1.595 -0.856 0.000) 1.811 2.530 ( 1.288 2.393 0.000) 2.717 2.662 ( -0.165 -3.524 0.000) 3.528 2.762 ( -1.339 4.651 0.000) 4.840 2.833 ( -0.513 -0.134 0.000) 0.530 2.859 ( -0.365 0.729 0.000) 0.815 2.886 ( -0.467 -2.712 0.000) 2.752 8.854 ( 1.706 -0.988 0.000) 1.972 8.862 ( 2.435 -1.347 0.000) 2.782 8.863 ( 0.394 0.886 0.000) 0.970 8.904 ( 0.275 -0.604 0.000) 0.664 8.989 ( 0.953 1.683 0.000) 1.934 9.117 ( -0.137 -4.324 0.000) 4.326 9.208 ( -2.191 4.694 0.000) 5.180 9.235 ( -1.955 3.520 0.000) 4.026 10.877 ( -0.501 2.069 0.000) 2.128 10.966 ( 0.308 -2.360 0.000) 2.380 10.977 ( -6.176 1.817 0.000) 6.438 11.028 ( -2.519 -0.692 0.000) 2.612 11.170 ( 2.571 1.937 0.000) 3.219 11.246 ( -0.619 0.353 0.000) 0.712 11.276 ( 3.109 -2.533 0.000) 4.010 11.300 ( -1.004 -2.383 0.000) 2.586 11.390 ( 2.546 1.985 0.000) 3.229 11.477 ( -0.094 -0.114 0.000) 0.148 11.481 ( -0.942 -1.266 0.000) 1.578 11.537 ( -0.325 -2.741 0.000) 2.761 23.203 ( -0.178 0.250 0.000) 0.307 23.207 ( -0.156 0.575 0.000) 0.596 23.217 ( 0.348 -0.467 0.000) 0.582 23.231 ( -0.005 -0.531 0.000) 0.531 24.294 ( 4.827 1.254 0.000) 4.987 24.368 ( 4.338 -2.320 0.000) 4.920 24.537 ( 0.645 4.804 0.000) 4.847 24.696 ( 0.723 -2.365 0.000) 2.473 24.794 ( -1.482 3.316 0.000) 3.632 24.941 ( -2.108 -3.701 0.000) 4.259 24.948 ( -5.743 3.713 0.000) 6.839 24.986 ( -7.805 1.319 0.000) 7.915 25.198 ( 2.919 4.257 0.000) 5.161 25.458 ( -2.352 3.399 0.000) 4.133 25.462 ( 4.615 -7.720 0.000) 8.994 25.674 ( -1.110 -6.831 0.000) 6.921 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.40 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 2.753 6.295 0.000) 6.870 0.593 ( 1.988 3.316 0.000) 3.866 0.638 ( -5.019 6.254 0.000) 8.019 0.690 ( -6.744 3.230 0.000) 7.478 0.735 ( -0.907 -1.232 0.000) 1.530 0.770 ( -3.498 -3.460 0.000) 4.920 0.900 ( 6.568 -2.976 0.000) 7.211 0.932 ( 0.819 1.048 0.000) 1.329 0.970 ( 0.750 -0.638 0.000) 0.985 1.004 ( -4.087 -2.082 0.000) 4.587 1.045 ( -5.592 -0.302 0.000) 5.600 1.063 ( -6.186 -8.311 0.000) 10.361 1.174 ( 0.505 0.768 0.000) 0.919 1.213 ( -3.024 4.813 0.000) 5.684 1.247 ( 2.610 3.658 0.000) 4.493 1.308 ( -2.070 -3.058 0.000) 3.693 1.615 ( 3.948 2.676 0.000) 4.770 1.710 ( -4.277 3.462 0.000) 5.502 1.766 ( 3.459 -4.292 0.000) 5.513 1.846 ( -2.746 -2.080 0.000) 3.445 1.935 ( 0.710 0.911 0.000) 1.155 1.939 ( 0.429 1.554 0.000) 1.612 2.039 ( 2.343 -4.750 0.000) 5.296 2.066 ( 0.178 -4.055 0.000) 4.059 2.255 ( 2.331 -0.613 0.000) 2.410 2.286 ( -0.705 0.941 0.000) 1.176 2.300 ( 4.952 -3.516 0.000) 6.073 2.397 ( -3.365 -4.944 0.000) 5.980 2.519 ( 4.378 2.232 0.000) 4.915 2.550 ( 0.235 2.435 0.000) 2.447 2.551 ( 2.832 1.498 0.000) 3.204 2.637 ( -2.917 -1.398 0.000) 3.235 2.756 ( 1.262 3.919 0.000) 4.117 2.803 ( -2.235 0.865 0.000) 2.397 2.858 ( 0.501 1.602 0.000) 1.679 2.874 ( -0.692 -0.735 0.000) 1.009 8.874 ( 0.603 0.640 0.000) 0.880 8.881 ( 0.322 0.099 0.000) 0.337 8.903 ( 1.031 -0.620 0.000) 1.203 8.910 ( 0.168 -0.605 0.000) 0.628 9.045 ( 4.037 1.821 0.000) 4.429 9.129 ( 1.498 -2.199 0.000) 2.661 9.138 ( -4.016 3.247 0.000) 5.164 9.180 ( -2.802 1.097 0.000) 3.009 10.865 ( -0.299 2.611 0.000) 2.628 10.882 ( -2.320 2.998 0.000) 3.791 10.975 ( 0.521 -2.337 0.000) 2.395 10.991 ( -1.055 -1.903 0.000) 2.176 11.207 ( 0.979 1.855 0.000) 2.098 11.227 ( -1.032 0.870 0.000) 1.350 11.290 ( 0.193 -1.724 0.000) 1.735 11.298 ( -0.189 -1.251 0.000) 1.266 11.461 ( 2.054 -0.953 0.000) 2.265 11.469 ( 1.093 -1.346 0.000) 1.733 11.472 ( -0.416 -0.117 0.000) 0.432 11.518 ( -1.573 -2.603 0.000) 3.041 23.201 ( 0.027 0.480 0.000) 0.480 23.203 ( -0.178 0.568 0.000) 0.595 23.224 ( 0.304 -0.658 0.000) 0.725 23.229 ( -0.151 -0.662 0.000) 0.679 24.429 ( 6.585 3.102 0.000) 7.279 24.507 ( 8.347 0.244 0.000) 8.351 24.532 ( -2.051 4.957 0.000) 5.365 24.696 ( -3.959 -1.910 0.000) 4.396 24.755 ( -1.693 2.834 0.000) 3.301 24.759 ( -6.243 5.334 0.000) 8.211 24.875 ( -2.084 -1.078 0.000) 2.346 24.887 ( -2.291 -3.144 0.000) 3.890 25.286 ( 4.658 4.076 0.000) 6.190 25.386 ( -4.140 3.760 0.000) 5.592 25.560 ( 4.074 -8.898 0.000) 9.786 25.634 ( -2.594 -8.026 0.000) 8.435 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 0.000 -3.361 0.000) 3.361 0.646 ( 0.000 3.361 0.000) 3.361 0.752 ( 0.000 -1.713 0.000) 1.713 0.752 ( 0.000 1.713 0.000) 1.713 0.851 ( 0.000 -1.491 0.000) 1.491 0.851 ( 0.000 1.491 0.000) 1.491 0.908 ( 0.000 -3.123 0.000) 3.123 0.908 ( 0.000 3.123 0.000) 3.123 1.102 ( 0.000 -2.617 0.000) 2.617 1.102 ( 0.000 2.617 0.000) 2.617 1.153 ( 0.000 -3.089 0.000) 3.089 1.153 ( 0.000 3.089 0.000) 3.089 1.264 ( 0.000 -1.612 0.000) 1.612 1.264 ( 0.000 1.612 0.000) 1.612 1.356 ( 0.000 -3.506 0.000) 3.506 1.356 ( 0.000 3.506 0.000) 3.506 1.595 ( 0.000 -4.826 0.000) 4.826 1.595 ( 0.000 4.826 0.000) 4.826 1.867 ( 0.000 -2.524 0.000) 2.524 1.867 ( 0.000 2.524 0.000) 2.524 1.904 ( 0.000 -4.785 0.000) 4.785 1.904 ( 0.000 4.785 0.000) 4.785 1.959 ( 0.000 -3.539 0.000) 3.539 1.959 ( 0.000 3.539 0.000) 3.539 2.125 ( 0.000 -2.556 0.000) 2.556 2.125 ( 0.000 2.556 0.000) 2.556 2.366 ( 0.000 -2.020 0.000) 2.020 2.366 ( 0.000 2.020 0.000) 2.020 2.433 ( 0.000 -3.103 0.000) 3.103 2.433 ( 0.000 3.103 0.000) 3.103 2.588 ( 0.000 -4.112 0.000) 4.112 2.588 ( 0.000 4.112 0.000) 4.112 2.837 ( 0.000 -1.389 0.000) 1.389 2.837 ( 0.000 1.389 0.000) 1.389 2.845 ( 0.000 -1.255 0.000) 1.255 2.845 ( 0.000 1.255 0.000) 1.255 8.813 ( 0.000 -0.085 0.000) 0.085 8.813 ( 0.000 0.085 0.000) 0.085 8.881 ( 0.000 -1.154 0.000) 1.154 8.881 ( 0.000 1.154 0.000) 1.154 9.034 ( 0.000 -3.350 0.000) 3.350 9.034 ( 0.000 3.350 0.000) 3.350 9.298 ( 0.000 -0.682 0.000) 0.682 9.298 ( 0.000 0.682 0.000) 0.682 10.920 ( 0.000 -1.816 0.000) 1.816 10.920 ( 0.000 1.816 0.000) 1.816 11.093 ( 0.000 -0.267 0.000) 0.267 11.093 ( 0.000 0.267 0.000) 0.267 11.142 ( 0.000 -0.123 0.000) 0.123 11.142 ( 0.000 0.123 0.000) 0.123 11.271 ( 0.000 -1.475 0.000) 1.475 11.271 ( 0.000 1.475 0.000) 1.475 11.444 ( 0.000 -3.160 0.000) 3.160 11.444 ( 0.000 3.160 0.000) 3.160 11.493 ( 0.000 -1.591 0.000) 1.591 11.493 ( 0.000 1.591 0.000) 1.591 23.208 ( 0.000 -0.092 0.000) 0.092 23.208 ( 0.000 0.092 0.000) 0.092 23.221 ( 0.000 -0.522 0.000) 0.522 23.221 ( 0.000 0.522 0.000) 0.522 24.264 ( 0.000 -1.944 0.000) 1.944 24.264 ( 0.000 1.944 0.000) 1.944 24.616 ( 0.000 -3.947 0.000) 3.947 24.616 ( 0.000 3.947 0.000) 3.947 24.886 ( 0.000 -3.729 0.000) 3.729 24.886 ( 0.000 3.729 0.000) 3.729 25.068 ( 0.000 -0.376 0.000) 0.376 25.068 ( 0.000 0.376 0.000) 0.376 25.278 ( 0.000 -6.095 0.000) 6.095 25.278 ( 0.000 6.095 0.000) 6.095 25.568 ( 0.000 -4.903 0.000) 4.903 25.568 ( 0.000 4.903 0.000) 4.903 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -0.900 -2.433 0.000) 2.594 0.616 ( -0.900 2.433 0.000) 2.594 0.774 ( 0.068 -2.816 0.000) 2.817 0.774 ( 0.068 2.816 0.000) 2.817 0.788 ( -4.483 -0.308 0.000) 4.494 0.788 ( -4.483 0.308 0.000) 4.494 0.911 ( -0.006 -3.560 0.000) 3.560 0.911 ( -0.006 3.560 0.000) 3.560 1.044 ( -5.295 -4.245 0.000) 6.786 1.044 ( -5.295 4.245 0.000) 6.786 1.126 ( -2.966 -3.353 0.000) 4.477 1.126 ( -2.966 3.353 0.000) 4.477 1.214 ( -2.059 -2.609 0.000) 3.324 1.214 ( -2.059 2.609 0.000) 3.324 1.329 ( -2.079 -2.283 0.000) 3.088 1.329 ( -2.079 2.283 0.000) 3.088 1.617 ( 1.812 -4.274 0.000) 4.642 1.617 ( 1.812 4.274 0.000) 4.642 1.858 ( -1.659 -2.118 0.000) 2.690 1.858 ( -1.659 2.118 0.000) 2.690 1.919 ( 1.768 -2.110 0.000) 2.753 1.919 ( 1.768 2.110 0.000) 2.753 1.979 ( 1.142 -3.459 0.000) 3.643 1.979 ( 1.142 3.459 0.000) 3.643 2.169 ( 3.567 -0.954 0.000) 3.693 2.169 ( 3.567 0.954 0.000) 3.693 2.357 ( -1.126 -2.956 0.000) 3.163 2.357 ( -1.126 2.956 0.000) 3.163 2.471 ( 3.227 -2.428 0.000) 4.039 2.471 ( 3.227 2.428 0.000) 4.039 2.586 ( 0.264 -3.202 0.000) 3.213 2.586 ( 0.264 3.202 0.000) 3.213 2.844 ( 0.338 -2.496 0.000) 2.519 2.844 ( 0.338 2.496 0.000) 2.519 2.846 ( 0.052 -1.292 0.000) 1.293 2.846 ( 0.052 1.292 0.000) 1.293 8.845 ( 2.478 -0.227 0.000) 2.489 8.845 ( 2.478 0.227 0.000) 2.489 8.885 ( 0.280 -1.125 0.000) 1.159 8.885 ( 0.280 1.125 0.000) 1.159 9.038 ( 0.681 -3.135 0.000) 3.208 9.038 ( 0.681 3.135 0.000) 3.208 9.266 ( -2.778 -0.692 0.000) 2.863 9.266 ( -2.778 0.692 0.000) 2.863 10.920 ( 0.026 -2.109 0.000) 2.109 10.920 ( 0.026 2.109 0.000) 2.109 11.008 ( -4.094 -1.223 0.000) 4.273 11.008 ( -4.094 1.223 0.000) 4.273 11.218 ( 3.204 -2.695 0.000) 4.187 11.218 ( 3.204 2.695 0.000) 4.187 11.262 ( -0.623 -1.263 0.000) 1.409 11.262 ( -0.623 1.263 0.000) 1.409 11.441 ( -0.030 -2.447 0.000) 2.447 11.441 ( -0.030 2.447 0.000) 2.447 11.492 ( -0.188 -1.508 0.000) 1.519 11.492 ( -0.188 1.508 0.000) 1.519 23.209 ( 0.091 -0.333 0.000) 0.345 23.209 ( 0.091 0.333 0.000) 0.345 23.220 ( -0.118 -0.573 0.000) 0.585 23.220 ( -0.118 0.573 0.000) 0.585 24.325 ( 5.429 -1.782 0.000) 5.714 24.325 ( 5.429 1.782 0.000) 5.714 24.628 ( 0.925 -3.972 0.000) 4.079 24.628 ( 0.925 3.973 0.000) 4.079 24.865 ( -1.779 -3.562 0.000) 3.981 24.865 ( -1.779 3.562 0.000) 3.981 24.992 ( -6.428 -0.691 0.000) 6.465 24.992 ( -6.428 0.691 0.000) 6.465 25.313 ( 3.076 -6.648 0.000) 7.325 25.313 ( 3.076 6.648 0.000) 7.325 25.547 ( -1.893 -5.260 0.000) 5.590 25.547 ( -1.893 5.260 0.000) 5.590 ======================= Grid point 24 (15/60) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 1.981 -0.872 0.000) 2.164 0.631 ( 1.981 0.872 0.000) 2.164 0.695 ( -3.771 -1.558 0.000) 4.080 0.695 ( -3.771 1.558 0.000) 4.080 0.771 ( 1.582 -5.484 0.000) 5.708 0.771 ( 1.582 5.484 0.000) 5.708 0.863 ( -5.477 -9.551 0.000) 11.009 0.863 ( -5.477 9.551 0.000) 11.009 0.957 ( 0.267 -0.766 0.000) 0.811 0.957 ( 0.267 0.766 0.000) 0.811 1.022 ( -4.906 -1.883 0.000) 5.255 1.022 ( -4.906 1.883 0.000) 5.255 1.231 ( 2.183 -3.881 0.000) 4.453 1.231 ( 2.183 3.881 0.000) 4.453 1.279 ( -2.248 -0.995 0.000) 2.458 1.279 ( -2.248 0.995 0.000) 2.458 1.680 ( 4.099 -3.679 0.000) 5.508 1.680 ( 4.099 3.679 0.000) 5.508 1.784 ( -4.741 -3.630 0.000) 5.971 1.784 ( -4.741 3.630 0.000) 5.971 1.967 ( 1.962 -2.317 0.000) 3.036 1.967 ( 1.962 2.317 0.000) 3.036 1.991 ( -0.180 -3.220 0.000) 3.226 1.991 ( -0.180 3.220 0.000) 3.226 2.252 ( 3.512 -0.995 0.000) 3.650 2.252 ( 3.512 0.995 0.000) 3.650 2.316 ( -2.451 -2.570 0.000) 3.552 2.316 ( -2.451 2.570 0.000) 3.552 2.551 ( 3.402 -1.005 0.000) 3.547 2.551 ( 3.402 1.005 0.000) 3.547 2.593 ( -0.311 -1.999 0.000) 2.023 2.593 ( -0.311 1.999 0.000) 2.023 2.845 ( -0.143 -2.229 0.000) 2.233 2.845 ( -0.143 2.229 0.000) 2.233 2.845 ( -0.171 -2.959 0.000) 2.964 2.845 ( -0.171 2.959 0.000) 2.964 8.889 ( 0.971 -0.606 0.000) 1.144 8.889 ( 0.971 0.606 0.000) 1.144 8.892 ( 0.326 -0.991 0.000) 1.043 8.892 ( 0.326 0.991 0.000) 1.043 9.084 ( 3.728 -2.042 0.000) 4.251 9.084 ( 3.728 2.042 0.000) 4.251 9.183 ( -4.625 -0.957 0.000) 4.723 9.183 ( -4.625 0.957 0.000) 4.723 10.922 ( 0.299 -2.746 0.000) 2.762 10.922 ( 0.299 2.746 0.000) 2.762 10.943 ( -1.842 -2.704 0.000) 3.272 10.943 ( -1.842 2.704 0.000) 3.272 11.253 ( -0.030 -1.639 0.000) 1.639 11.253 ( -0.030 1.639 0.000) 1.639 11.254 ( 0.308 -2.561 0.000) 2.579 11.254 ( 0.308 2.561 0.000) 2.579 11.454 ( 1.184 -0.391 0.000) 1.247 11.454 ( 1.184 0.391 0.000) 1.247 11.480 ( -0.934 -1.044 0.000) 1.401 11.480 ( -0.934 1.044 0.000) 1.401 23.212 ( 0.178 -0.557 0.000) 0.585 23.212 ( 0.178 0.557 0.000) 0.585 23.216 ( -0.197 -0.630 0.000) 0.660 23.216 ( -0.197 0.630 0.000) 0.660 24.485 ( 8.490 -2.132 0.000) 8.753 24.485 ( 8.490 2.132 0.000) 8.753 24.628 ( -2.585 -4.218 0.000) 4.947 24.628 ( -2.585 4.218 0.000) 4.947 24.820 ( -1.816 -3.276 0.000) 3.746 24.820 ( -1.816 3.276 0.000) 3.746 24.840 ( -5.220 -2.595 0.000) 5.829 24.840 ( -5.220 2.595 0.000) 5.829 25.398 ( 4.301 -6.690 0.000) 7.953 25.398 ( 4.301 6.690 0.000) 7.953 25.487 ( -3.565 -6.055 0.000) 7.026 25.487 ( -3.565 6.055 0.000) 7.026 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.177 ( 0.000 0.000 8.894) 8.894 0.227 ( 0.000 0.000 11.805) 11.805 0.448 ( 0.000 0.000 22.910) 22.910 0.596 ( 0.000 0.000 0.422) 0.422 0.702 ( 0.000 0.000 -2.260) 2.260 0.771 ( 0.000 0.000 -1.120) 1.120 0.820 ( 0.000 0.000 1.059) 1.059 0.850 ( 0.000 0.000 -2.554) 2.554 1.032 ( 0.000 0.000 -0.184) 0.184 1.080 ( 0.000 0.000 2.882) 2.882 1.097 ( 0.000 0.000 7.733) 7.733 1.185 ( 0.000 0.000 0.242) 0.242 1.258 ( 0.000 0.000 0.182) 0.182 1.401 ( 0.000 0.000 2.816) 2.816 1.509 ( 0.000 0.000 -5.962) 5.962 1.563 ( 0.000 0.000 -0.021) 0.021 1.715 ( 0.000 0.000 4.063) 4.063 1.723 ( 0.000 0.000 0.375) 0.375 1.776 ( 0.000 0.000 -2.306) 2.306 1.806 ( 0.000 0.000 -0.398) 0.398 1.976 ( 0.000 0.000 -2.868) 2.868 1.998 ( 0.000 0.000 2.366) 2.366 2.083 ( 0.000 0.000 1.112) 1.112 2.123 ( 0.000 0.000 -0.943) 0.943 2.186 ( 0.000 0.000 -4.550) 4.550 2.262 ( 0.000 0.000 0.355) 0.355 2.278 ( 0.000 0.000 -0.707) 0.707 2.320 ( 0.000 0.000 2.083) 2.083 2.331 ( 0.000 0.000 6.229) 6.229 2.342 ( 0.000 0.000 1.669) 1.669 2.436 ( 0.000 0.000 0.423) 0.423 2.473 ( 0.000 0.000 -1.690) 1.690 2.623 ( 0.000 0.000 -1.057) 1.057 2.849 ( 0.000 0.000 -0.929) 0.929 2.904 ( 0.000 0.000 -0.655) 0.655 3.248 ( 0.000 0.000 -3.597) 3.597 8.802 ( 0.000 0.000 0.359) 0.359 8.880 ( 0.000 0.000 -2.017) 2.017 8.895 ( 0.000 0.000 -1.136) 1.136 8.937 ( 0.000 0.000 0.237) 0.237 8.937 ( 0.000 0.000 -1.376) 1.376 8.941 ( 0.000 0.000 0.605) 0.605 9.017 ( 0.000 0.000 -0.575) 0.575 9.330 ( 0.000 0.000 -3.340) 3.340 10.791 ( 0.000 0.000 0.658) 0.658 10.807 ( 0.000 0.000 0.538) 0.538 11.028 ( 0.000 0.000 0.842) 0.842 11.118 ( 0.000 0.000 0.828) 0.828 11.127 ( 0.000 0.000 0.302) 0.302 11.181 ( 0.000 0.000 -0.266) 0.266 11.223 ( 0.000 0.000 -0.820) 0.820 11.378 ( 0.000 0.000 -1.762) 1.762 11.446 ( 0.000 0.000 0.923) 0.923 11.566 ( 0.000 0.000 1.862) 1.862 11.582 ( 0.000 0.000 -0.371) 0.371 11.668 ( 0.000 0.000 0.184) 0.184 23.207 ( 0.000 0.000 -0.088) 0.088 23.233 ( 0.000 0.000 0.312) 0.312 23.235 ( 0.000 0.000 -0.018) 0.018 23.251 ( 0.000 0.000 -0.268) 0.268 24.146 ( 0.000 0.000 0.571) 0.571 24.235 ( 0.000 0.000 -0.500) 0.500 24.290 ( 0.000 0.000 1.070) 1.070 24.476 ( 0.000 0.000 -1.122) 1.122 24.759 ( 0.000 0.000 1.556) 1.556 24.780 ( 0.000 0.000 1.792) 1.792 25.125 ( 0.000 0.000 -0.447) 0.447 25.156 ( 0.000 0.000 1.418) 1.418 25.211 ( 0.000 0.000 1.958) 1.958 25.416 ( 0.000 0.000 2.364) 2.364 25.737 ( 0.000 0.000 -1.856) 1.856 25.936 ( 0.000 0.000 -3.328) 3.328 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.260 ( 6.266 0.000 5.705) 8.474 0.277 ( 4.699 0.000 9.484) 10.585 0.579 ( -1.384 0.000 1.002) 1.708 0.600 ( 8.540 0.000 13.880) 16.297 0.712 ( 0.857 0.000 -1.931) 2.112 0.790 ( 1.035 0.000 -1.461) 1.791 0.797 ( -1.483 0.000 1.334) 1.994 0.877 ( 2.821 0.000 0.572) 2.878 0.981 ( -1.950 0.000 0.718) 2.078 1.072 ( -2.320 0.000 7.624) 7.969 1.100 ( 1.580 0.000 2.577) 3.023 1.176 ( -0.768 0.000 0.708) 1.045 1.242 ( -11.309 0.000 -2.319) 11.545 1.281 ( -2.153 0.000 3.465) 4.080 1.395 ( -2.539 0.000 3.629) 4.429 1.580 ( 1.604 0.000 0.056) 1.605 1.611 ( -4.872 0.000 0.110) 4.873 1.676 ( -4.317 0.000 1.300) 4.508 1.758 ( -1.747 0.000 -1.415) 2.248 1.867 ( -0.241 0.000 -2.312) 2.325 1.960 ( -0.688 0.000 -2.321) 2.421 1.977 ( -1.000 0.000 4.316) 4.430 2.060 ( -3.464 0.000 3.615) 5.006 2.151 ( -3.693 0.000 -3.423) 5.036 2.169 ( 5.544 0.000 -1.093) 5.651 2.188 ( 4.475 0.000 0.391) 4.492 2.269 ( -0.887 0.000 2.402) 2.560 2.360 ( 3.245 0.000 1.883) 3.752 2.407 ( 2.681 0.000 0.691) 2.768 2.422 ( 9.833 0.000 0.274) 9.837 2.502 ( 4.655 0.000 2.047) 5.085 2.581 ( -3.657 0.000 -0.958) 3.780 2.753 ( 8.933 0.000 -11.790) 14.792 2.819 ( -2.764 0.000 -0.396) 2.792 2.883 ( -1.880 0.000 -0.836) 2.057 3.146 ( -6.296 0.000 -0.414) 6.309 8.813 ( 1.021 0.000 0.278) 1.058 8.884 ( 0.374 0.000 -1.968) 2.003 8.895 ( -0.135 0.000 -1.170) 1.177 8.927 ( -0.618 0.000 -1.375) 1.507 8.933 ( -0.532 0.000 0.729) 0.902 8.936 ( -0.102 0.000 0.226) 0.248 9.030 ( 1.619 0.000 -1.409) 2.147 9.288 ( -3.796 0.000 -3.454) 5.132 10.793 ( 0.186 0.000 0.650) 0.676 10.806 ( -0.082 0.000 0.552) 0.558 11.027 ( 0.133 0.000 0.354) 0.378 11.086 ( -1.698 0.000 -0.617) 1.807 11.166 ( 3.594 0.000 1.524) 3.904 11.183 ( 0.197 0.000 -0.325) 0.380 11.217 ( -0.515 0.000 -0.772) 0.928 11.386 ( -1.128 0.000 -1.585) 1.945 11.456 ( 1.188 0.000 2.437) 2.711 11.557 ( -0.717 0.000 1.909) 2.039 11.639 ( 2.361 0.000 -1.334) 2.712 11.673 ( 0.337 0.000 0.169) 0.377 23.195 ( -0.517 0.000 0.380) 0.641 23.215 ( -0.928 0.000 0.966) 1.340 23.245 ( 0.575 0.000 -0.208) 0.612 23.255 ( 0.209 0.000 -0.158) 0.262 24.154 ( 0.761 0.000 0.613) 0.977 24.230 ( -0.561 0.000 0.071) 0.566 24.304 ( 1.406 0.000 0.388) 1.459 24.458 ( -1.615 0.000 -1.051) 1.927 24.723 ( -1.646 0.000 2.099) 2.667 24.793 ( -1.767 0.000 3.671) 4.074 24.916 ( -5.280 0.000 11.351) 12.519 25.112 ( -2.903 0.000 1.580) 3.305 25.166 ( 1.712 0.000 1.599) 2.343 25.368 ( -2.198 0.000 0.062) 2.199 25.939 ( 4.662 0.000 -7.150) 8.536 25.953 ( 1.519 0.000 -3.823) 4.114 ======================= Grid point 47 (18/60) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 6.591 0.000 2.996) 7.240 0.422 ( 8.246 0.000 6.210) 10.323 0.525 ( -3.868 0.000 1.790) 4.262 0.603 ( -6.827 0.000 5.778) 8.944 0.744 ( 2.019 0.000 -1.651) 2.608 0.787 ( -1.439 0.000 -1.507) 2.084 0.816 ( 4.135 0.000 0.949) 4.243 0.928 ( -0.878 0.000 1.265) 1.540 0.990 ( -6.579 0.000 0.631) 6.610 1.005 ( -3.339 0.000 5.269) 6.238 1.120 ( 12.160 0.000 4.447) 12.948 1.135 ( 1.376 0.000 2.117) 2.525 1.158 ( -0.817 0.000 1.589) 1.787 1.282 ( 0.115 0.000 2.092) 2.095 1.330 ( -2.504 0.000 4.810) 5.423 1.409 ( -10.993 0.000 4.095) 11.731 1.632 ( 3.033 0.000 0.125) 3.035 1.678 ( 2.867 0.000 -0.286) 2.881 1.703 ( -3.110 0.000 -0.263) 3.121 1.781 ( -5.879 0.000 -0.771) 5.930 1.971 ( 1.984 0.000 -1.450) 2.458 1.990 ( 1.650 0.000 2.293) 2.825 2.022 ( -1.159 0.000 2.312) 2.586 2.048 ( -4.714 0.000 -1.449) 4.932 2.276 ( 3.360 0.000 -1.556) 3.703 2.286 ( 2.681 0.000 -1.259) 2.962 2.317 ( 4.587 0.000 -1.132) 4.724 2.418 ( -2.359 0.000 -1.703) 2.910 2.435 ( 2.588 0.000 0.668) 2.673 2.490 ( -3.275 0.000 0.520) 3.316 2.617 ( 5.546 0.000 2.153) 5.950 2.637 ( 8.989 0.000 -0.361) 8.996 2.733 ( -4.858 0.000 0.869) 4.935 2.792 ( -4.885 0.000 -1.639) 5.152 2.899 ( 4.467 0.000 -5.847) 7.358 3.013 ( -5.803 0.000 -2.471) 6.308 8.844 ( 1.636 0.000 0.009) 1.636 8.879 ( -1.367 0.000 -0.584) 1.487 8.896 ( 0.679 0.000 -1.848) 1.968 8.912 ( -0.739 0.000 -1.672) 1.828 8.928 ( 0.114 0.000 0.439) 0.453 8.933 ( -0.226 0.000 0.196) 0.299 9.089 ( 3.692 0.000 -2.313) 4.356 9.186 ( -4.938 0.000 -2.956) 5.755 10.798 ( 0.249 0.000 0.623) 0.671 10.803 ( -0.183 0.000 0.586) 0.614 11.036 ( 0.716 0.000 -0.456) 0.849 11.057 ( -1.129 0.000 -0.963) 1.483 11.190 ( 0.480 0.000 -0.472) 0.673 11.203 ( -0.678 0.000 -0.642) 0.934 11.254 ( 4.138 0.000 0.782) 4.212 11.336 ( -3.183 0.000 -0.433) 3.212 11.493 ( 1.958 0.000 2.922) 3.517 11.533 ( -1.551 0.000 2.525) 2.963 11.670 ( 0.743 0.000 0.009) 0.743 11.677 ( -0.013 0.000 0.207) 0.208 23.191 ( 0.115 0.000 0.516) 0.528 23.199 ( -0.569 0.000 0.747) 0.939 23.255 ( 0.319 0.000 -0.269) 0.417 23.258 ( 0.016 0.000 -0.204) 0.205 24.178 ( 1.338 0.000 0.676) 1.499 24.208 ( -1.341 0.000 0.603) 1.470 24.350 ( 2.637 0.000 -0.423) 2.671 24.410 ( -2.640 0.000 -0.834) 2.768 24.707 ( 0.271 0.000 2.908) 2.920 24.733 ( -2.081 0.000 4.539) 4.993 24.936 ( 3.455 0.000 3.721) 5.078 25.025 ( -4.416 0.000 2.466) 5.058 25.228 ( 3.515 0.000 0.658) 3.577 25.306 ( -3.378 0.000 0.218) 3.385 25.977 ( 0.990 0.000 -3.458) 3.597 25.986 ( 0.361 0.000 -4.538) 4.553 ======================= Grid point 50 (19/60) ======================= q-point: ( 0.00 0.12 0.14) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.280 ( 0.000 7.583 6.736) 10.143 0.338 ( 0.000 9.097 8.031) 12.134 0.592 ( 0.000 5.225 4.590) 6.954 0.654 ( 0.000 10.674 10.258) 14.804 0.747 ( 0.000 -0.998 -1.239) 1.591 0.807 ( 0.000 6.840 -1.411) 6.984 0.828 ( 0.000 -1.668 -3.407) 3.793 0.830 ( 0.000 1.729 0.492) 1.798 1.014 ( 0.000 -0.735 0.271) 0.784 1.064 ( 0.000 -0.982 3.854) 3.978 1.134 ( 0.000 2.011 -4.381) 4.820 1.215 ( 0.000 -0.785 2.188) 2.325 1.267 ( 0.000 3.024 2.445) 3.889 1.363 ( 0.000 -3.685 2.754) 4.601 1.488 ( 0.000 -2.340 -2.644) 3.531 1.629 ( 0.000 -4.142 4.605) 6.194 1.655 ( 0.000 3.961 -3.055) 5.002 1.702 ( 0.000 -2.778 -1.070) 2.977 1.745 ( 0.000 -4.273 -0.401) 4.291 1.781 ( 0.000 -0.030 -1.251) 1.251 1.923 ( 0.000 -4.227 -1.194) 4.392 2.029 ( 0.000 -0.019 2.676) 2.676 2.045 ( 0.000 -2.585 2.442) 3.556 2.088 ( 0.000 2.439 1.390) 2.807 2.108 ( 0.000 -2.913 1.088) 3.110 2.235 ( 0.000 -1.313 0.291) 1.345 2.269 ( 0.000 -0.218 -2.512) 2.521 2.280 ( 0.000 2.339 -1.492) 2.774 2.338 ( 0.000 0.118 4.389) 4.391 2.384 ( 0.000 3.356 2.283) 4.059 2.486 ( 0.000 3.957 1.945) 4.410 2.638 ( 0.000 1.356 -1.135) 1.768 2.707 ( 0.000 3.468 -2.861) 4.496 2.880 ( 0.000 2.963 -5.159) 5.950 2.887 ( 0.000 -1.403 -0.518) 1.496 3.132 ( 0.000 -8.164 -0.095) 8.165 8.838 ( 0.000 2.750 -0.047) 2.750 8.847 ( 0.000 -1.060 -0.903) 1.393 8.909 ( 0.000 -1.216 -0.580) 1.347 8.920 ( 0.000 -1.181 0.355) 1.233 8.939 ( 0.000 0.296 -0.943) 0.989 8.991 ( 0.000 5.216 -1.029) 5.316 9.021 ( 0.000 1.095 -1.479) 1.840 9.293 ( 0.000 -3.429 -3.205) 4.694 10.804 ( 0.000 1.196 0.336) 1.242 10.920 ( 0.000 4.552 -6.809) 8.190 11.044 ( 0.000 1.334 0.635) 1.477 11.107 ( 0.000 -0.794 0.804) 1.130 11.130 ( 0.000 0.309 -0.349) 0.466 11.198 ( 0.000 -2.282 -1.565) 2.767 11.211 ( 0.000 2.421 -0.118) 2.424 11.364 ( 0.000 -1.464 -0.083) 1.466 11.432 ( 0.000 -1.260 1.243) 1.770 11.541 ( 0.000 -1.732 3.384) 3.802 11.552 ( 0.000 -1.214 2.074) 2.403 11.653 ( 0.000 -1.357 0.616) 1.491 23.199 ( 0.000 -0.605 0.219) 0.644 23.214 ( 0.000 -0.281 0.602) 0.664 23.227 ( 0.000 -0.715 -0.221) 0.749 23.249 ( 0.000 -0.184 -0.115) 0.217 24.241 ( 0.000 0.168 0.174) 0.242 24.326 ( 0.000 3.572 0.106) 3.574 24.406 ( 0.000 10.658 -11.853) 15.940 24.459 ( 0.000 0.234 -2.999) 3.008 24.758 ( 0.000 -0.158 1.642) 1.650 24.799 ( 0.000 1.834 0.863) 2.027 25.117 ( 0.000 -0.776 -0.170) 0.795 25.152 ( 0.000 -0.416 3.428) 3.453 25.199 ( 0.000 -0.924 1.196) 1.511 25.421 ( 0.000 0.613 2.085) 2.174 25.638 ( 0.000 -5.650 5.370) 7.795 25.895 ( 0.000 -3.574 -3.151) 4.765 ======================= Grid point 51 (20/60) ======================= q-point: ( 0.20 0.12 0.14) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 4.526 5.794 6.231) 9.637 0.373 ( 1.945 7.922 6.331) 10.326 0.567 ( -3.223 -0.924 0.769) 3.440 0.701 ( 2.555 7.962 9.238) 12.460 0.777 ( 1.597 -0.036 -1.913) 2.492 0.804 ( -0.468 4.935 -0.661) 5.001 0.825 ( 0.746 2.205 0.267) 2.343 0.856 ( 3.097 0.213 0.405) 3.131 0.968 ( -1.557 -0.949 1.257) 2.215 1.031 ( -1.612 -0.355 1.682) 2.356 1.112 ( -2.733 0.045 4.438) 5.212 1.226 ( -0.563 2.802 1.149) 3.080 1.260 ( -0.159 -0.316 -0.709) 0.793 1.284 ( -8.912 -0.591 4.541) 10.020 1.386 ( -3.917 -1.309 1.558) 4.414 1.546 ( -1.440 -2.433 2.002) 3.464 1.606 ( -6.027 -1.943 -0.339) 6.341 1.646 ( -2.820 -0.230 -1.042) 3.015 1.771 ( 1.258 0.827 -1.027) 1.822 1.842 ( 0.848 -2.046 -3.300) 3.975 1.917 ( 0.856 -2.619 1.079) 2.959 2.008 ( -0.463 1.550 2.593) 3.056 2.069 ( -1.157 0.120 0.583) 1.301 2.133 ( 5.617 -2.151 -0.916) 6.084 2.149 ( 2.050 0.326 -0.303) 2.098 2.224 ( -0.138 1.661 1.253) 2.086 2.273 ( 2.327 1.030 -0.058) 2.546 2.370 ( 4.175 1.422 0.074) 4.411 2.392 ( 2.777 -1.348 1.601) 3.477 2.457 ( 6.068 1.504 -0.302) 6.259 2.528 ( 2.614 2.793 2.558) 4.602 2.604 ( -1.720 1.774 -1.786) 3.049 2.717 ( 0.274 -1.542 -1.859) 2.431 2.855 ( -1.744 1.210 -4.674) 5.133 2.870 ( -1.608 -1.118 -0.733) 2.092 3.073 ( -4.365 -5.932 -0.356) 7.373 8.845 ( 0.622 1.880 -0.196) 1.989 8.856 ( 0.708 -0.490 -0.908) 1.251 8.912 ( -0.069 -0.454 -0.653) 0.798 8.919 ( -0.440 -0.206 -0.184) 0.519 8.938 ( 0.281 0.291 -1.042) 1.117 8.981 ( -0.676 3.812 -0.748) 3.943 9.044 ( 1.815 1.782 -1.884) 3.166 9.257 ( -3.066 -2.777 -3.178) 5.217 10.803 ( -0.104 0.902 0.260) 0.945 10.846 ( -3.771 2.840 -1.456) 4.941 11.033 ( -0.465 0.418 0.351) 0.717 11.069 ( -1.804 -1.673 -0.239) 2.471 11.144 ( 2.228 -0.842 0.407) 2.417 11.217 ( 0.654 0.860 -0.694) 1.284 11.225 ( 0.659 1.821 -0.154) 1.943 11.381 ( -1.202 -0.663 -1.314) 1.900 11.456 ( 2.028 -0.292 1.685) 2.653 11.545 ( -0.485 -1.076 2.018) 2.338 11.581 ( 2.640 -4.057 1.765) 5.152 11.655 ( 0.074 -1.657 0.490) 1.730 23.193 ( -0.315 -0.162 0.234) 0.425 23.205 ( -0.499 -0.367 0.660) 0.905 23.237 ( 0.599 -0.699 -0.352) 0.986 23.252 ( 0.175 -0.259 -0.096) 0.328 24.242 ( 0.190 0.998 0.059) 1.017 24.323 ( -1.149 6.014 -2.065) 6.461 24.378 ( -1.207 10.332 -6.547) 12.291 24.444 ( -0.858 -1.191 -1.156) 1.868 24.730 ( -1.465 0.544 1.944) 2.494 24.813 ( -0.622 1.614 2.258) 2.844 24.959 ( -7.830 3.860 11.000) 14.043 25.107 ( -2.803 -0.398 2.726) 3.930 25.155 ( 1.984 -0.877 1.607) 2.700 25.374 ( -2.358 0.684 -0.010) 2.456 25.830 ( 6.843 -8.707 -3.178) 11.521 25.907 ( 0.896 -3.941 -3.026) 5.049 ======================= Grid point 52 (21/60) ======================= q-point: ( 0.40 0.12 0.14) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 1.886 1.686 2.746) 3.734 0.458 ( 4.465 1.149 3.903) 6.041 0.484 ( -1.598 -0.994 3.813) 4.253 0.628 ( -7.092 2.391 5.567) 9.328 0.809 ( 1.598 1.840 -2.087) 3.209 0.816 ( 0.824 4.780 -1.778) 5.166 0.857 ( 2.280 2.928 0.584) 3.757 0.914 ( 0.079 -0.937 1.131) 1.471 0.973 ( -0.890 -1.214 2.599) 3.003 1.000 ( -5.214 -0.229 0.715) 5.268 1.108 ( 8.747 1.035 3.450) 9.460 1.150 ( -1.630 -0.184 6.075) 6.293 1.189 ( -0.856 0.896 5.848) 5.978 1.278 ( 0.252 -0.892 -0.396) 1.008 1.328 ( -1.698 -0.877 3.019) 3.573 1.397 ( -9.512 -1.074 3.322) 10.132 1.568 ( 0.955 -3.476 0.534) 3.644 1.598 ( -1.710 -1.621 -0.523) 2.414 1.784 ( 0.433 3.050 -1.208) 3.309 1.811 ( -2.019 1.365 -1.806) 3.033 1.971 ( 2.467 -1.008 1.447) 3.032 2.002 ( -0.526 -0.040 1.819) 1.894 2.067 ( 1.252 4.621 -0.983) 4.887 2.117 ( -2.814 5.277 -1.121) 6.085 2.239 ( 3.374 -2.691 -0.946) 4.418 2.265 ( 1.359 -1.058 0.031) 1.722 2.357 ( 4.930 2.821 -0.895) 5.750 2.427 ( -0.119 -0.027 -1.390) 1.395 2.438 ( 1.781 0.703 0.277) 1.935 2.488 ( -3.501 0.939 -0.205) 3.631 2.582 ( 4.226 -2.721 2.773) 5.741 2.651 ( 1.258 -1.948 0.356) 2.346 2.705 ( 1.422 0.937 -0.062) 1.704 2.802 ( -4.103 0.648 -1.180) 4.318 2.868 ( 2.981 -3.065 -4.034) 5.878 2.966 ( -5.158 -4.000 -2.164) 6.876 8.864 ( 1.006 0.654 -0.580) 1.333 8.873 ( 0.592 -0.228 -1.050) 1.227 8.901 ( -0.766 0.923 -0.290) 1.234 8.903 ( -0.624 0.232 -0.482) 0.822 8.950 ( 0.691 1.398 -0.882) 1.792 8.966 ( -0.702 2.733 -0.753) 2.920 9.097 ( 3.058 0.830 -2.363) 3.953 9.176 ( -3.971 -1.008 -2.838) 4.984 10.800 ( -0.129 0.203 0.289) 0.376 10.803 ( -0.594 0.347 0.325) 0.761 11.031 ( 0.258 -0.571 -0.569) 0.847 11.043 ( -0.818 -1.285 -0.997) 1.821 11.181 ( 1.281 -0.495 -0.221) 1.391 11.206 ( -0.996 0.263 -0.453) 1.125 11.274 ( 2.887 1.406 0.420) 3.239 11.335 ( -2.613 -0.117 -0.168) 2.621 11.494 ( 1.564 0.045 2.616) 3.048 11.526 ( -1.244 -0.618 2.588) 2.937 11.629 ( 1.585 -3.544 0.629) 3.933 11.651 ( -0.512 -2.389 0.425) 2.480 23.190 ( 0.061 -0.042 0.355) 0.362 23.195 ( -0.377 -0.171 0.527) 0.671 23.248 ( 0.409 -0.606 -0.357) 0.814 23.254 ( -0.071 -0.418 -0.208) 0.473 24.251 ( 0.676 3.576 -0.441) 3.666 24.277 ( -1.866 7.331 -1.872) 7.793 24.391 ( 1.469 4.124 -1.238) 4.550 24.422 ( -1.214 1.239 -1.127) 2.069 24.718 ( 0.512 0.929 3.141) 3.316 24.754 ( -2.785 1.986 5.107) 6.146 24.941 ( 2.821 0.384 4.212) 5.084 25.023 ( -4.216 -0.266 3.326) 5.377 25.224 ( 3.830 -0.181 0.608) 3.882 25.309 ( -3.602 0.360 0.149) 3.623 25.911 ( 1.598 -6.682 -3.457) 7.691 25.923 ( 0.282 -5.040 -3.062) 5.904 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 0.000 7.101 5.436) 8.943 0.550 ( 0.000 10.555 4.378) 11.427 0.656 ( 0.000 3.111 -0.751) 3.200 0.710 ( 0.000 -1.757 0.568) 1.846 0.792 ( 0.000 -1.382 -3.858) 4.098 0.873 ( 0.000 2.552 0.790) 2.672 0.898 ( 0.000 0.338 -0.384) 0.512 0.906 ( 0.000 6.239 3.396) 7.103 1.032 ( 0.000 5.146 4.369) 6.751 1.134 ( 0.000 7.404 0.656) 7.433 1.157 ( 0.000 0.858 -4.343) 4.427 1.165 ( 0.000 -3.225 0.547) 3.272 1.261 ( 0.000 -5.666 1.871) 5.967 1.348 ( 0.000 3.750 6.340) 7.366 1.430 ( 0.000 -3.259 1.916) 3.781 1.525 ( 0.000 -2.868 3.842) 4.794 1.546 ( 0.000 -10.158 -0.411) 10.167 1.706 ( 0.000 -1.322 -3.090) 3.361 1.767 ( 0.000 4.838 -5.074) 7.011 1.778 ( 0.000 -0.441 -1.250) 1.325 1.843 ( 0.000 -1.902 0.580) 1.988 1.996 ( 0.000 -1.971 6.460) 6.754 2.024 ( 0.000 -2.840 -2.678) 3.903 2.061 ( 0.000 0.152 4.314) 4.317 2.157 ( 0.000 2.355 -1.457) 2.769 2.200 ( 0.000 -1.962 1.853) 2.699 2.281 ( 0.000 1.259 -3.336) 3.565 2.333 ( 0.000 0.649 5.653) 5.691 2.348 ( 0.000 2.541 -5.464) 6.026 2.441 ( 0.000 1.179 1.646) 2.025 2.567 ( 0.000 3.261 3.978) 5.144 2.675 ( 0.000 2.140 -2.544) 3.325 2.702 ( 0.000 -1.282 0.589) 1.411 2.860 ( 0.000 -0.745 0.168) 0.764 2.904 ( 0.000 -1.593 -2.376) 2.860 2.974 ( 0.000 -6.090 -1.059) 6.181 8.836 ( 0.000 -0.372 -0.942) 1.012 8.858 ( 0.000 -1.289 -1.232) 1.783 8.875 ( 0.000 -1.529 0.350) 1.569 8.908 ( 0.000 0.213 0.751) 0.781 8.950 ( 0.000 0.588 -0.497) 0.769 9.089 ( 0.000 5.520 -2.134) 5.918 9.118 ( 0.000 6.432 -1.889) 6.704 9.201 ( 0.000 -5.017 -2.801) 5.746 10.836 ( 0.000 1.786 -0.347) 1.820 10.961 ( 0.000 0.292 -4.299) 4.309 11.070 ( 0.000 1.004 0.813) 1.292 11.092 ( 0.000 -0.727 0.005) 0.727 11.138 ( 0.000 0.319 -0.388) 0.502 11.140 ( 0.000 -2.770 -3.638) 4.573 11.266 ( 0.000 2.573 -0.894) 2.724 11.331 ( 0.000 -1.509 2.775) 3.159 11.398 ( 0.000 -1.767 1.849) 2.558 11.514 ( 0.000 -1.551 0.468) 1.621 11.527 ( 0.000 -0.951 2.869) 3.022 11.620 ( 0.000 -1.611 2.224) 2.746 23.194 ( 0.000 -0.018 -0.225) 0.226 23.210 ( 0.000 -0.722 -0.573) 0.922 23.214 ( 0.000 0.220 0.400) 0.457 23.245 ( 0.000 -0.199 0.236) 0.309 24.239 ( 0.000 -0.227 0.273) 0.355 24.386 ( 0.000 -3.477 -0.930) 3.599 24.422 ( 0.000 5.237 -0.500) 5.260 24.603 ( 0.000 5.993 -10.761) 12.317 24.749 ( 0.000 -0.789 1.895) 2.053 24.844 ( 0.000 1.878 -2.442) 3.081 25.098 ( 0.000 -0.797 0.615) 1.006 25.142 ( 0.000 -0.347 7.881) 7.889 25.185 ( 0.000 -0.066 0.143) 0.157 25.445 ( 0.000 1.720 1.584) 2.339 25.542 ( 0.000 -4.211 5.247) 6.727 25.799 ( 0.000 -5.375 -1.945) 5.716 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.20 0.25 0.14) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 1.471 5.290 4.542) 7.126 0.553 ( -2.965 6.930 2.575) 7.966 0.576 ( -2.571 4.502 2.401) 5.713 0.761 ( 2.985 -0.789 -0.717) 3.170 0.799 ( -1.226 -1.021 -1.176) 1.982 0.837 ( -2.784 2.266 1.800) 4.015 0.850 ( -0.611 1.054 0.684) 1.397 0.926 ( 0.277 1.011 0.341) 1.102 1.040 ( 1.654 6.409 4.453) 7.978 1.064 ( -3.638 2.645 -1.862) 4.868 1.130 ( -2.079 2.566 3.604) 4.889 1.212 ( 0.546 -2.195 -2.307) 3.231 1.226 ( -3.348 -3.389 3.478) 5.898 1.293 ( -5.194 1.693 8.210) 9.862 1.327 ( -5.724 -3.491 1.241) 6.818 1.483 ( -3.816 -6.118 0.231) 7.214 1.531 ( -0.089 -1.112 0.621) 1.276 1.693 ( -1.894 2.666 -1.859) 3.762 1.766 ( 0.364 -3.279 -3.984) 5.173 1.816 ( 2.492 2.066 -2.830) 4.300 1.878 ( 3.225 -0.808 1.622) 3.699 1.995 ( -0.812 -2.654 4.287) 5.107 2.050 ( 2.566 -1.461 -1.151) 3.169 2.101 ( 3.109 -0.938 2.016) 3.822 2.185 ( 2.355 1.529 -1.415) 3.144 2.232 ( 1.765 -0.380 1.929) 2.642 2.316 ( 3.503 2.599 -2.349) 4.954 2.358 ( 2.299 -1.284 4.726) 5.410 2.396 ( 3.497 1.270 -3.989) 5.455 2.489 ( 3.086 -0.343 0.777) 3.200 2.579 ( 0.422 2.003 3.848) 4.358 2.633 ( -2.397 2.386 -1.820) 3.841 2.722 ( 1.587 0.870 -0.266) 1.829 2.837 ( -3.345 -1.549 -1.566) 4.005 2.857 ( -2.459 -0.872 -0.513) 2.659 2.950 ( -2.010 -4.676 -1.304) 5.254 8.843 ( 0.543 -0.142 -0.932) 1.088 8.866 ( 0.574 -0.718 -1.255) 1.556 8.894 ( 1.240 -1.143 0.007) 1.686 8.918 ( 0.732 0.095 1.177) 1.389 8.950 ( 0.385 0.783 -1.205) 1.487 9.074 ( -1.274 5.354 -2.071) 5.880 9.120 ( 0.127 4.942 -1.992) 5.329 9.182 ( -1.541 -4.168 -2.745) 5.224 10.829 ( -0.580 1.596 -0.488) 1.767 10.900 ( -4.956 2.349 -2.550) 6.048 11.022 ( -1.803 -2.403 0.152) 3.008 11.037 ( -1.653 -0.323 0.008) 1.684 11.139 ( 2.174 0.466 -0.167) 2.230 11.221 ( 1.114 -0.184 -1.545) 1.914 11.268 ( 0.552 1.505 -0.391) 1.650 11.364 ( -0.873 -0.595 0.099) 1.061 11.423 ( 4.210 -2.896 1.792) 5.415 11.516 ( 0.335 -2.099 1.455) 2.576 11.523 ( -0.349 -0.899 2.811) 2.972 11.613 ( -0.639 -2.118 1.706) 2.794 23.192 ( -0.109 0.040 -0.140) 0.182 23.205 ( -0.371 0.195 0.249) 0.488 23.221 ( 0.499 -0.678 -0.469) 0.964 23.246 ( 0.004 -0.322 0.141) 0.351 24.264 ( 2.253 1.003 -0.321) 2.487 24.397 ( 0.837 -1.325 -1.496) 2.167 24.433 ( 0.926 4.272 -0.603) 4.413 24.570 ( -2.746 6.588 -9.964) 12.257 24.739 ( -0.629 0.151 1.955) 2.059 24.844 ( 0.072 1.064 -0.523) 1.188 25.034 ( -7.900 2.335 7.686) 11.266 25.105 ( -3.438 0.076 7.156) 7.939 25.147 ( 2.680 1.173 0.465) 2.962 25.399 ( -2.580 1.720 -0.214) 3.108 25.648 ( 5.518 -8.270 0.759) 9.971 25.799 ( -0.132 -6.100 -1.953) 6.407 ======================= Grid point 57 (24/60) ======================= q-point: ( 0.40 0.25 0.14) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -0.710 1.914 0.751) 2.175 0.498 ( -3.695 6.229 1.767) 7.455 0.565 ( 3.480 5.156 5.760) 8.478 0.684 ( -6.288 2.249 3.881) 7.724 0.804 ( 2.037 -2.907 0.852) 3.651 0.842 ( -0.117 -0.529 -1.197) 1.314 0.910 ( 4.150 2.018 1.440) 4.834 0.916 ( -0.029 -0.002 0.598) 0.599 0.994 ( -3.076 -0.109 -0.325) 3.095 1.024 ( -2.552 4.942 0.023) 5.562 1.114 ( -3.000 -2.235 6.748) 7.715 1.135 ( -0.879 -0.577 3.423) 3.581 1.191 ( 0.759 -0.085 4.223) 4.292 1.225 ( -1.059 -3.797 1.405) 4.185 1.268 ( 0.598 -3.073 3.269) 4.526 1.364 ( -6.345 -1.882 1.510) 6.788 1.561 ( 2.542 2.025 -0.620) 3.308 1.629 ( -3.425 3.408 -1.300) 5.003 1.795 ( 1.928 -2.099 -3.091) 4.204 1.833 ( -0.998 0.781 -1.826) 2.222 1.952 ( 2.543 -0.397 2.480) 3.574 1.980 ( -0.457 -1.418 2.839) 3.206 2.117 ( 2.881 -1.172 -1.608) 3.501 2.148 ( 0.505 -3.314 -1.113) 3.532 2.235 ( 1.836 2.345 -0.210) 2.986 2.256 ( 0.235 0.305 0.432) 0.579 2.408 ( 3.554 -0.415 1.006) 3.717 2.435 ( 3.911 2.634 -0.614) 4.755 2.454 ( 1.726 0.536 -1.290) 2.220 2.524 ( -1.414 -1.451 1.196) 2.353 2.547 ( -0.480 0.948 1.717) 2.020 2.596 ( -2.812 1.804 1.383) 3.616 2.765 ( -0.417 -0.102 -1.301) 1.370 2.793 ( 4.333 -0.419 -1.331) 4.552 2.807 ( -2.688 -0.771 -0.763) 2.898 2.887 ( -3.760 -2.287 -1.567) 4.672 8.858 ( 0.822 -0.134 -1.012) 1.310 8.872 ( -0.226 -0.197 -1.206) 1.243 8.913 ( 0.557 -0.035 0.182) 0.587 8.921 ( -0.242 0.555 0.818) 1.017 8.986 ( 2.395 1.896 -1.749) 3.520 9.037 ( -2.075 4.017 -1.913) 4.909 9.125 ( 0.492 1.765 -2.251) 2.902 9.146 ( -1.468 -1.734 -2.554) 3.419 10.815 ( -0.467 1.369 -0.394) 1.499 10.824 ( -1.609 1.754 -0.323) 2.402 11.007 ( -0.132 -1.972 -1.070) 2.247 11.013 ( -0.682 -1.340 -0.895) 1.750 11.181 ( 1.707 0.552 0.025) 1.795 11.214 ( -1.218 0.578 -0.045) 1.349 11.296 ( 1.574 0.354 -0.097) 1.616 11.330 ( -1.618 -0.338 0.450) 1.714 11.489 ( 1.376 -0.614 1.687) 2.262 11.511 ( -0.784 -0.767 2.706) 2.919 11.546 ( 2.352 -3.957 1.336) 4.793 11.590 ( -1.513 -3.118 0.998) 3.607 23.192 ( 0.107 0.183 0.053) 0.219 23.197 ( -0.332 0.293 0.223) 0.496 23.233 ( 0.546 -0.770 -0.462) 1.051 23.243 ( -0.299 -0.581 -0.155) 0.672 24.330 ( 3.499 3.641 -2.016) 5.438 24.396 ( -1.746 3.894 -2.837) 5.125 24.462 ( 1.744 2.503 -2.052) 3.677 24.507 ( -2.483 5.615 -5.573) 8.292 24.742 ( 1.485 1.415 3.958) 4.458 24.810 ( -3.918 3.128 5.696) 7.588 24.943 ( 1.063 -0.449 5.356) 5.479 25.014 ( -4.363 -0.553 5.636) 7.149 25.232 ( 4.501 1.297 0.322) 4.695 25.328 ( -3.956 1.669 -0.073) 4.295 25.740 ( 3.049 -9.080 -1.673) 9.723 25.786 ( -1.238 -7.675 -2.034) 8.036 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.38 0.14) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 0.000 4.939 2.482) 5.527 0.667 ( 0.000 -0.362 -0.208) 0.418 0.718 ( 0.000 2.547 0.054) 2.548 0.755 ( 0.000 2.492 -0.354) 2.517 0.786 ( 0.000 4.638 0.613) 4.678 0.885 ( 0.000 -0.278 0.563) 0.628 0.896 ( 0.000 -0.473 2.105) 2.157 0.939 ( 0.000 0.449 0.064) 0.454 1.092 ( 0.000 -1.476 -4.195) 4.447 1.094 ( 0.000 -3.278 0.031) 3.279 1.154 ( 0.000 -3.569 0.232) 3.577 1.241 ( 0.000 -0.608 0.578) 0.839 1.273 ( 0.000 8.438 6.171) 10.454 1.355 ( 0.000 -4.990 1.507) 5.213 1.365 ( 0.000 -2.241 5.591) 6.024 1.415 ( 0.000 2.072 5.717) 6.081 1.517 ( 0.000 1.388 -0.367) 1.436 1.641 ( 0.000 -4.111 -5.027) 6.494 1.813 ( 0.000 3.745 0.669) 3.804 1.846 ( 0.000 2.589 -3.882) 4.666 1.846 ( 0.000 1.292 1.688) 2.126 1.957 ( 0.000 -2.916 -1.031) 3.093 1.967 ( 0.000 -0.523 5.736) 5.759 2.049 ( 0.000 -2.286 2.517) 3.400 2.166 ( 0.000 -0.746 -1.561) 1.730 2.171 ( 0.000 -0.604 4.407) 4.448 2.316 ( 0.000 1.899 -4.019) 4.445 2.348 ( 0.000 0.633 1.641) 1.759 2.389 ( 0.000 1.074 -3.474) 3.636 2.419 ( 0.000 -2.375 0.087) 2.377 2.605 ( 0.000 0.910 4.678) 4.766 2.684 ( 0.000 -1.152 1.785) 2.125 2.723 ( 0.000 2.234 -4.484) 5.010 2.817 ( 0.000 -4.306 -3.157) 5.340 2.868 ( 0.000 1.251 1.516) 1.966 2.914 ( 0.000 -1.190 0.863) 1.470 8.817 ( 0.000 -1.132 -1.015) 1.521 8.824 ( 0.000 -1.510 -0.809) 1.713 8.867 ( 0.000 0.653 0.738) 0.986 8.906 ( 0.000 -0.591 0.428) 0.730 8.968 ( 0.000 1.435 -1.285) 1.927 9.097 ( 0.000 -4.664 -2.358) 5.226 9.211 ( 0.000 5.233 -2.040) 5.616 9.236 ( 0.000 4.261 -2.118) 4.759 10.875 ( 0.000 1.907 -0.681) 2.025 10.949 ( 0.000 -1.310 -1.238) 1.803 11.071 ( 0.000 -0.760 -2.717) 2.821 11.077 ( 0.000 -0.660 -1.277) 1.438 11.116 ( 0.000 0.539 -1.515) 1.608 11.140 ( 0.000 -0.112 -0.336) 0.354 11.295 ( 0.000 -0.108 -0.605) 0.614 11.302 ( 0.000 -1.217 2.987) 3.226 11.383 ( 0.000 0.894 0.769) 1.179 11.470 ( 0.000 -2.442 -1.605) 2.922 11.523 ( 0.000 0.634 4.000) 4.050 11.587 ( 0.000 -1.709 3.682) 4.059 23.194 ( 0.000 0.030 -0.475) 0.476 23.199 ( 0.000 -0.346 -0.712) 0.792 23.222 ( 0.000 0.529 0.522) 0.743 23.241 ( 0.000 -0.264 0.526) 0.589 24.238 ( 0.000 0.327 -0.090) 0.340 24.313 ( 0.000 -3.280 -0.678) 3.349 24.528 ( 0.000 4.876 -0.356) 4.889 24.675 ( 0.000 -0.252 -4.694) 4.700 24.745 ( 0.000 1.942 -1.518) 2.465 24.853 ( 0.000 -1.102 -5.178) 5.294 25.091 ( 0.000 0.176 1.465) 1.475 25.129 ( 0.000 -1.065 4.560) 4.682 25.225 ( 0.000 4.153 4.692) 6.267 25.447 ( 0.000 -5.104 4.066) 6.526 25.496 ( 0.000 3.262 1.524) 3.600 25.685 ( 0.000 -5.471 0.136) 5.473 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.20 0.38 0.14) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -1.918 3.645 0.830) 4.202 0.624 ( -2.148 2.004 1.740) 3.414 0.743 ( 3.128 3.351 0.902) 4.672 0.758 ( -1.046 4.552 2.089) 5.117 0.786 ( -2.343 0.197 0.479) 2.399 0.842 ( -1.923 -0.644 -1.824) 2.728 0.868 ( -1.210 0.569 3.423) 3.675 0.940 ( -0.753 0.345 1.164) 1.429 1.023 ( -3.405 -2.365 0.619) 4.192 1.104 ( -0.268 -3.255 -3.077) 4.487 1.114 ( -3.722 -3.191 0.283) 4.911 1.206 ( -3.666 3.268 3.020) 5.765 1.255 ( -6.512 -3.465 3.665) 8.237 1.286 ( -0.921 5.716 5.268) 7.828 1.323 ( -1.863 -6.855 0.157) 7.106 1.353 ( -4.436 2.773 4.902) 7.169 1.547 ( 2.234 1.746 -0.239) 2.845 1.661 ( 1.935 -3.757 -4.057) 5.858 1.787 ( -2.449 3.807 -0.524) 4.557 1.858 ( 0.550 1.142 -1.939) 2.317 1.882 ( 2.976 0.992 0.402) 3.162 1.939 ( -0.455 -2.187 1.932) 2.953 2.017 ( 2.922 -1.273 2.301) 3.931 2.072 ( 1.279 -2.148 2.538) 3.563 2.188 ( 2.564 -0.552 -0.935) 2.785 2.217 ( 2.608 -1.063 2.719) 3.915 2.351 ( -0.126 0.322 4.293) 4.307 2.367 ( 4.556 2.143 -3.378) 6.063 2.419 ( 3.267 0.565 -4.612) 5.680 2.432 ( 0.488 -3.652 -0.123) 3.687 2.609 ( -0.009 0.818 3.780) 3.867 2.684 ( -0.529 -1.835 1.501) 2.429 2.724 ( 0.239 2.767 -2.719) 3.886 2.809 ( -0.092 -1.493 -3.437) 3.749 2.851 ( -1.366 1.364 1.003) 2.176 2.909 ( -0.725 -0.375 0.743) 1.104 8.838 ( 1.256 -0.417 -1.295) 1.852 8.848 ( 1.963 -0.836 -0.899) 2.316 8.878 ( 1.020 0.044 0.733) 1.256 8.912 ( 0.456 -0.740 0.686) 1.107 8.972 ( 0.750 1.539 -1.571) 2.323 9.093 ( -0.178 -4.097 -2.419) 4.761 9.186 ( -2.209 4.644 -2.062) 5.541 9.214 ( -1.936 3.456 -2.095) 4.482 10.867 ( -0.614 2.044 -0.872) 2.306 10.940 ( -1.966 0.841 -2.024) 2.944 10.976 ( -3.452 -1.298 -0.622) 3.740 11.023 ( -2.608 -1.105 -0.675) 2.912 11.160 ( 2.354 1.333 -0.781) 2.816 11.210 ( 2.380 -0.836 -2.014) 3.228 11.279 ( -0.391 0.030 0.639) 0.750 11.348 ( 0.357 -2.743 2.874) 3.989 11.385 ( 2.457 1.243 -0.218) 2.762 11.472 ( 0.146 -2.281 -0.673) 2.382 11.517 ( -0.497 0.346 3.460) 3.512 11.572 ( -1.255 -1.837 3.092) 3.809 23.194 ( 0.040 0.144 -0.387) 0.414 23.204 ( 0.376 -0.338 -0.624) 0.803 23.218 ( -0.322 0.439 0.345) 0.644 23.239 ( -0.212 -0.388 0.365) 0.573 24.284 ( 4.039 1.033 -0.837) 4.252 24.352 ( 3.488 -2.260 -1.400) 4.385 24.535 ( 0.269 4.781 -0.977) 4.887 24.656 ( -2.086 1.185 -7.099) 7.494 24.744 ( 0.344 1.235 1.178) 1.741 24.842 ( -0.368 -1.388 -2.721) 3.077 25.063 ( -4.769 1.011 5.776) 7.558 25.097 ( -2.530 -0.573 6.891) 7.363 25.216 ( 0.925 4.783 2.133) 5.318 25.432 ( -1.018 -0.529 -0.876) 1.444 25.507 ( 1.049 -3.316 2.810) 4.471 25.670 ( -1.387 -6.140 -0.331) 6.303 ======================= Grid point 62 (27/60) ======================= q-point: ( 0.40 0.38 0.14) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 2.902 6.012 0.517) 6.696 0.620 ( -0.061 3.612 2.023) 4.141 0.675 ( -3.922 5.725 3.548) 7.794 0.705 ( -4.319 0.093 0.817) 4.396 0.765 ( -0.073 0.524 3.213) 3.256 0.802 ( -2.897 -2.568 2.320) 4.513 0.924 ( 4.403 -1.593 2.299) 5.216 0.931 ( 2.226 0.816 0.042) 2.371 0.991 ( -0.282 -0.457 1.334) 1.438 1.019 ( -3.050 -3.981 1.206) 5.158 1.061 ( -5.528 -3.678 2.794) 7.204 1.105 ( -4.276 -5.212 3.047) 7.398 1.148 ( 0.874 2.806 -1.013) 3.109 1.231 ( -5.509 4.232 2.556) 7.402 1.285 ( 1.045 1.793 3.232) 3.841 1.314 ( -0.969 -3.028 0.837) 3.288 1.614 ( 3.868 2.720 -0.720) 4.783 1.701 ( -2.560 2.388 -1.123) 3.676 1.736 ( 2.183 -2.172 -2.406) 3.908 1.819 ( -3.664 -2.004 -2.010) 4.635 1.952 ( 2.826 0.246 2.223) 3.604 1.969 ( 1.751 0.357 2.337) 2.942 2.053 ( 0.578 -3.537 0.890) 3.693 2.075 ( -1.000 -3.221 0.966) 3.508 2.257 ( 2.441 0.443 -0.742) 2.590 2.264 ( 1.492 0.259 0.203) 1.528 2.358 ( 1.360 -2.923 3.882) 5.046 2.408 ( -2.177 -4.733 1.098) 5.325 2.493 ( 4.948 2.198 -2.246) 5.862 2.503 ( 3.744 1.225 -1.819) 4.339 2.593 ( -1.058 1.192 1.175) 1.980 2.638 ( -3.609 -1.515 0.098) 3.915 2.749 ( 2.086 3.530 -0.500) 4.130 2.799 ( -2.021 1.494 -0.540) 2.571 2.841 ( 1.479 1.418 -0.930) 2.251 2.880 ( -1.737 0.401 0.000) 1.782 8.863 ( 0.955 0.535 -1.036) 1.507 8.875 ( 0.135 0.510 -0.720) 0.893 8.903 ( 1.017 -0.820 0.025) 1.307 8.916 ( -0.170 -0.799 0.483) 0.949 9.025 ( 3.931 1.841 -1.873) 4.727 9.103 ( 0.703 -1.075 -2.555) 2.860 9.120 ( -3.093 2.263 -1.840) 4.252 9.158 ( -2.838 1.125 -2.104) 3.708 10.855 ( -0.201 2.423 -0.919) 2.599 10.873 ( -2.099 2.747 -0.979) 3.593 10.962 ( 0.280 -2.345 -1.204) 2.651 10.979 ( -1.378 -1.986 -1.180) 2.690 11.203 ( 1.725 1.491 -0.070) 2.281 11.232 ( -0.509 1.163 0.363) 1.320 11.283 ( 1.068 -1.303 -0.009) 1.685 11.318 ( -1.842 -1.162 0.980) 2.388 11.466 ( 3.238 -1.338 0.778) 3.589 11.483 ( 1.135 -1.681 1.372) 2.449 11.501 ( -0.937 -0.328 2.269) 2.476 11.534 ( -2.232 -2.122 1.813) 3.573 23.197 ( 0.295 0.371 -0.172) 0.504 23.206 ( -0.387 0.534 0.067) 0.663 23.218 ( 0.518 -0.616 -0.413) 0.904 23.231 ( -0.504 -0.590 -0.045) 0.777 24.396 ( 5.469 2.705 -2.852) 6.735 24.448 ( 3.937 1.072 -3.780) 5.562 24.517 ( -1.567 2.783 -3.273) 4.573 24.582 ( -4.466 1.395 -7.051) 8.462 24.779 ( 3.380 2.266 4.937) 6.398 24.861 ( 0.390 0.818 3.946) 4.049 24.931 ( -4.026 0.172 7.711) 8.701 24.997 ( -5.527 -1.242 7.314) 9.251 25.287 ( 4.489 4.013 0.095) 6.022 25.382 ( -3.672 3.535 -0.393) 5.112 25.557 ( 3.178 -8.304 -0.305) 8.896 25.625 ( -2.721 -7.554 -0.927) 8.083 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 0.000 -2.457 -0.371) 2.485 0.640 ( 0.000 2.457 -0.371) 2.485 0.750 ( 0.000 -0.624 0.139) 0.639 0.750 ( 0.000 0.624 0.138) 0.639 0.871 ( 0.000 -1.580 1.013) 1.877 0.871 ( 0.000 1.580 1.013) 1.877 0.929 ( 0.000 -2.678 2.106) 3.407 0.929 ( 0.000 2.678 2.106) 3.407 1.054 ( 0.000 -0.405 -2.747) 2.777 1.054 ( 0.000 0.405 -2.747) 2.777 1.151 ( 0.000 -3.520 -0.235) 3.528 1.151 ( 0.000 3.520 -0.235) 3.528 1.333 ( 0.000 -0.253 5.355) 5.361 1.333 ( 0.000 0.253 5.355) 5.361 1.410 ( 0.000 -3.307 5.194) 6.158 1.410 ( 0.000 3.307 5.194) 6.158 1.565 ( 0.000 -3.065 -2.817) 4.163 1.565 ( 0.000 3.065 -2.817) 4.163 1.865 ( 0.000 -0.665 -1.431) 1.578 1.865 ( 0.000 0.665 -1.431) 1.578 1.901 ( 0.000 -3.180 1.763) 3.637 1.901 ( 0.000 3.180 1.763) 3.637 1.986 ( 0.000 -2.583 2.096) 3.326 1.986 ( 0.000 2.583 2.096) 3.326 2.160 ( 0.000 -0.440 3.061) 3.093 2.160 ( 0.000 0.440 3.061) 3.093 2.345 ( 0.000 -0.795 -3.476) 3.566 2.345 ( 0.000 0.795 -3.476) 3.566 2.394 ( 0.000 -0.110 -1.049) 1.055 2.394 ( 0.000 0.110 -1.049) 1.055 2.638 ( 0.000 -2.527 3.516) 4.330 2.638 ( 0.000 2.527 3.516) 4.330 2.761 ( 0.000 -1.716 -4.313) 4.641 2.761 ( 0.000 1.716 -4.313) 4.641 2.894 ( 0.000 -1.049 1.791) 2.076 2.894 ( 0.000 1.049 1.791) 2.076 8.805 ( 0.000 -0.141 -0.763) 0.776 8.805 ( 0.000 0.141 -0.763) 0.776 8.887 ( 0.000 -1.088 0.541) 1.215 8.887 ( 0.000 1.088 0.541) 1.215 9.015 ( 0.000 -3.147 -1.861) 3.656 9.015 ( 0.000 3.147 -1.861) 3.656 9.276 ( 0.000 -0.645 -2.147) 2.242 9.276 ( 0.000 0.645 -2.147) 2.242 10.914 ( 0.000 -1.870 -0.508) 1.938 10.914 ( 0.000 1.870 -0.508) 1.938 11.066 ( 0.000 -0.279 -3.008) 3.021 11.066 ( 0.000 0.279 -3.008) 3.021 11.132 ( 0.000 -0.694 -0.324) 0.766 11.132 ( 0.000 0.694 -0.324) 0.766 11.288 ( 0.000 -0.041 1.567) 1.568 11.288 ( 0.000 0.041 1.567) 1.568 11.421 ( 0.000 -2.271 -1.362) 2.648 11.421 ( 0.000 2.271 -1.362) 2.648 11.550 ( 0.000 -1.756 4.290) 4.635 11.550 ( 0.000 1.756 4.290) 4.635 23.195 ( 0.000 -0.086 -0.636) 0.642 23.195 ( 0.000 0.086 -0.636) 0.642 23.233 ( 0.000 -0.475 0.611) 0.774 23.233 ( 0.000 0.475 0.611) 0.774 24.259 ( 0.000 -1.818 -0.432) 1.868 24.259 ( 0.000 1.818 -0.432) 1.868 24.620 ( 0.000 -3.906 -0.458) 3.933 24.620 ( 0.000 3.906 -0.458) 3.933 24.808 ( 0.000 -3.013 -4.976) 5.817 24.808 ( 0.000 3.013 -4.976) 5.817 25.105 ( 0.000 -1.076 2.409) 2.638 25.105 ( 0.000 1.076 2.409) 2.638 25.333 ( 0.000 -5.708 4.404) 7.210 25.333 ( 0.000 5.708 4.404) 7.210 25.579 ( 0.000 -4.694 1.479) 4.921 25.579 ( 0.000 4.694 1.479) 4.921 ======================= Grid point 67 (29/60) ======================= q-point: ( 0.20 -0.50 0.14) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -0.895 -2.557 -0.175) 2.715 0.612 ( -0.895 2.557 -0.175) 2.715 0.778 ( 1.221 -1.312 0.990) 2.047 0.778 ( 1.221 1.312 0.990) 2.047 0.822 ( -3.922 -0.878 2.048) 4.511 0.822 ( -3.922 0.878 2.048) 4.511 0.928 ( -0.423 -2.890 2.014) 3.548 0.928 ( -0.423 2.890 2.014) 3.548 1.010 ( -3.501 -2.929 -2.039) 4.999 1.010 ( -3.501 2.929 -2.039) 4.999 1.148 ( -0.350 -5.104 0.608) 5.152 1.148 ( -0.350 5.104 0.608) 5.152 1.243 ( -6.021 -1.500 3.448) 7.099 1.243 ( -6.021 1.500 3.448) 7.099 1.376 ( -2.982 -1.825 4.397) 5.617 1.376 ( -2.982 1.825 4.397) 5.617 1.594 ( 2.386 -2.710 -2.007) 4.131 1.594 ( 2.386 2.710 -2.007) 4.131 1.853 ( -2.525 -1.870 -1.571) 3.513 1.853 ( -2.525 1.870 -1.571) 3.513 1.906 ( 2.083 -1.244 0.798) 2.555 1.906 ( 2.083 1.244 0.798) 2.555 2.022 ( 1.690 -1.962 3.186) 4.105 2.022 ( 1.690 1.962 3.186) 4.105 2.192 ( 2.852 -1.043 2.060) 3.670 2.192 ( 2.852 1.043 2.060) 3.670 2.367 ( -0.511 -1.563 0.813) 1.834 2.367 ( -0.511 1.563 0.813) 1.834 2.412 ( 3.661 -1.199 -4.173) 5.680 2.412 ( 3.661 1.199 -4.173) 5.680 2.632 ( -0.539 -1.904 2.857) 3.475 2.632 ( -0.539 1.904 2.857) 3.475 2.778 ( 1.409 -1.841 -3.469) 4.173 2.778 ( 1.409 1.841 -3.469) 4.173 2.891 ( -0.496 -1.690 1.492) 2.308 2.891 ( -0.496 1.690 1.492) 2.308 8.835 ( 2.248 -0.257 -0.969) 2.461 8.835 ( 2.248 0.257 -0.969) 2.461 8.892 ( 0.420 -0.999 0.655) 1.266 8.892 ( 0.420 0.999 0.655) 1.266 9.018 ( 0.600 -2.967 -1.983) 3.619 9.018 ( 0.600 2.967 -1.983) 3.619 9.245 ( -2.767 -0.682 -2.139) 3.563 9.245 ( -2.767 0.682 -2.139) 3.563 10.912 ( -0.196 -2.195 -0.770) 2.334 10.912 ( -0.196 2.195 -0.770) 2.334 10.994 ( -3.840 -1.614 -1.591) 4.459 10.994 ( -3.840 1.614 -1.591) 4.459 11.188 ( 2.599 -1.269 -1.661) 3.336 11.188 ( 2.599 1.269 -1.661) 3.336 11.295 ( 0.338 -1.814 2.250) 2.909 11.295 ( 0.338 1.814 2.250) 2.909 11.425 ( 0.675 -2.186 -0.949) 2.477 11.425 ( 0.675 2.186 -0.949) 2.477 11.537 ( -1.075 -1.460 3.637) 4.064 11.537 ( -1.075 1.460 3.637) 4.064 23.198 ( 0.251 -0.256 -0.575) 0.677 23.198 ( 0.251 0.256 -0.575) 0.677 23.229 ( -0.357 -0.534 0.448) 0.783 23.229 ( -0.357 0.534 0.448) 0.783 24.311 ( 4.577 -1.651 -1.206) 5.013 24.311 ( 4.577 1.651 -1.206) 5.013 24.622 ( -0.351 -3.459 -2.052) 4.037 24.622 ( -0.351 3.459 -2.052) 4.037 24.795 ( -0.415 -2.838 -2.470) 3.785 24.795 ( -0.415 2.838 -2.470) 3.785 25.083 ( -3.114 -0.862 5.727) 6.575 25.083 ( -3.114 0.862 5.727) 6.575 25.331 ( 0.961 -6.074 1.609) 6.356 25.331 ( 0.961 6.074 1.609) 6.356 25.555 ( -2.167 -4.767 1.022) 5.335 25.555 ( -2.167 4.767 1.022) 5.335 ======================= Grid point 69 (30/60) ======================= q-point: ( 0.40 -0.50 0.14) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 2.785 -2.181 0.175) 3.542 0.634 ( 2.785 2.181 0.175) 3.542 0.718 ( -4.703 -1.401 1.507) 5.133 0.718 ( -4.703 1.401 1.506) 5.133 0.806 ( 2.089 -5.074 3.665) 6.598 0.806 ( 2.089 5.074 3.665) 6.598 0.888 ( -4.458 -7.487 2.448) 9.051 0.888 ( -4.458 7.487 2.448) 9.051 0.962 ( 1.454 -1.432 0.718) 2.163 0.962 ( 1.454 1.432 0.718) 2.163 1.050 ( -6.033 -2.096 2.421) 6.830 1.050 ( -6.033 2.096 2.421) 6.830 1.228 ( 2.733 -4.373 0.104) 5.158 1.228 ( 2.733 4.373 0.104) 5.158 1.298 ( -3.597 -1.439 2.086) 4.401 1.298 ( -3.597 1.439 2.086) 4.401 1.667 ( 4.284 -2.513 -1.181) 5.105 1.667 ( 4.284 2.513 -1.181) 5.105 1.770 ( -4.682 -2.436 -1.383) 5.456 1.770 ( -4.682 2.436 -1.383) 5.456 1.968 ( 3.080 -0.969 0.755) 3.316 1.968 ( 3.080 0.969 0.755) 3.316 2.023 ( -1.574 -1.279 2.408) 3.148 2.023 ( -1.574 1.279 2.408) 3.148 2.268 ( 3.542 -0.243 1.571) 3.883 2.268 ( 3.542 0.243 1.571) 3.883 2.332 ( -2.263 -1.519 1.439) 3.082 2.332 ( -2.263 1.519 1.439) 3.082 2.519 ( 4.982 -0.223 -2.318) 5.500 2.519 ( 4.982 0.223 -2.318) 5.500 2.603 ( -2.498 -0.867 0.123) 2.646 2.603 ( -2.498 0.867 0.123) 2.646 2.819 ( 2.252 -1.849 -1.059) 3.100 2.819 ( 2.252 1.849 -1.059) 3.100 2.866 ( -1.782 -1.912 0.679) 2.700 2.866 ( -1.782 1.912 0.679) 2.700 8.878 ( 1.420 -0.771 -0.818) 1.811 8.878 ( 1.420 0.771 -0.818) 1.811 8.897 ( -0.271 -0.826 0.145) 0.881 8.897 ( -0.271 0.826 0.145) 0.881 9.064 ( 3.739 -1.938 -2.016) 4.669 9.064 ( 3.739 1.938 -2.016) 4.669 9.161 ( -4.584 -0.963 -2.071) 5.122 9.161 ( -4.584 0.963 -2.071) 5.122 10.909 ( 0.200 -2.660 -1.196) 2.924 10.909 ( 0.200 2.660 -1.196) 2.924 10.930 ( -1.867 -2.653 -1.264) 3.482 10.930 ( -1.867 2.653 -1.264) 3.482 11.236 ( 2.122 -1.462 -0.436) 2.613 11.236 ( 2.122 1.462 -0.436) 2.613 11.281 ( -1.682 -1.876 1.359) 2.862 11.281 ( -1.682 1.876 1.359) 2.862 11.459 ( 2.182 -0.608 0.649) 2.356 11.459 ( 2.182 0.608 0.649) 2.356 11.505 ( -1.852 -0.750 2.206) 2.976 11.505 ( -1.852 0.750 2.206) 2.976 23.206 ( 0.501 -0.468 -0.343) 0.766 23.206 ( 0.501 0.468 -0.343) 0.766 23.218 ( -0.569 -0.574 0.056) 0.810 23.218 ( -0.569 0.574 0.056) 0.810 24.441 ( 6.642 -1.517 -3.565) 7.690 24.441 ( 6.642 1.517 -3.565) 7.690 24.571 ( -4.592 -2.024 -5.269) 7.276 24.571 ( -4.592 2.024 -5.269) 7.276 24.833 ( 4.215 -2.578 4.323) 6.565 24.833 ( 4.215 2.578 4.323) 6.565 24.962 ( -6.824 -2.009 7.786) 10.546 24.962 ( -6.824 2.009 7.786) 10.546 25.394 ( 4.176 -5.947 -0.434) 7.280 25.394 ( 4.176 5.947 -0.434) 7.280 25.487 ( -3.918 -5.293 0.106) 6.586 25.487 ( -3.918 5.293 0.106) 6.586 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( 0.000 0.000 7.162) 7.162 0.436 ( 0.000 0.000 10.443) 10.443 0.613 ( 0.000 0.000 1.472) 1.472 0.642 ( 0.000 0.000 -4.077) 4.077 0.741 ( 0.000 0.000 -2.062) 2.062 0.817 ( 0.000 0.000 -1.106) 1.106 0.833 ( 0.000 0.000 16.215) 16.215 0.854 ( 0.000 0.000 2.959) 2.959 1.046 ( 0.000 0.000 2.361) 2.361 1.144 ( 0.000 0.000 3.431) 3.431 1.193 ( 0.000 0.000 0.597) 0.597 1.196 ( 0.000 0.000 1.942) 1.942 1.284 ( 0.000 0.000 2.745) 2.745 1.387 ( 0.000 0.000 -6.449) 6.449 1.480 ( 0.000 0.000 5.041) 5.041 1.569 ( 0.000 0.000 0.831) 0.831 1.719 ( 0.000 0.000 -3.459) 3.459 1.743 ( 0.000 0.000 1.240) 1.240 1.778 ( 0.000 0.000 2.518) 2.518 1.780 ( 0.000 0.000 -1.888) 1.888 1.939 ( 0.000 0.000 -0.850) 0.850 2.001 ( 0.000 0.000 -0.978) 0.978 2.081 ( 0.000 0.000 -3.389) 3.389 2.092 ( 0.000 0.000 -5.263) 5.263 2.159 ( 0.000 0.000 5.291) 5.291 2.273 ( 0.000 0.000 1.092) 1.092 2.281 ( 0.000 0.000 0.963) 0.963 2.340 ( 0.000 0.000 0.821) 0.821 2.393 ( 0.000 0.000 -0.077) 0.077 2.401 ( 0.000 0.000 3.842) 3.842 2.423 ( 0.000 0.000 -3.617) 3.617 2.507 ( 0.000 0.000 7.054) 7.054 2.593 ( 0.000 0.000 -2.112) 2.112 2.818 ( 0.000 0.000 -2.564) 2.564 2.898 ( 0.000 0.000 0.404) 0.404 3.155 ( 0.000 0.000 -6.054) 6.054 8.812 ( 0.000 0.000 0.696) 0.696 8.838 ( 0.000 0.000 -2.054) 2.054 8.872 ( 0.000 0.000 -1.275) 1.275 8.892 ( 0.000 0.000 -3.125) 3.125 8.942 ( 0.000 0.000 0.356) 0.356 8.950 ( 0.000 0.000 0.305) 0.305 9.023 ( 0.000 0.000 1.423) 1.423 9.248 ( 0.000 0.000 -5.137) 5.137 10.807 ( 0.000 0.000 0.946) 0.946 10.819 ( 0.000 0.000 0.645) 0.645 11.049 ( 0.000 0.000 1.269) 1.269 11.108 ( 0.000 0.000 -0.836) 0.836 11.169 ( 0.000 0.000 2.905) 2.905 11.175 ( 0.000 0.000 -0.273) 0.273 11.203 ( 0.000 0.000 -1.182) 1.182 11.336 ( 0.000 0.000 -2.589) 2.589 11.469 ( 0.000 0.000 1.577) 1.577 11.567 ( 0.000 0.000 -1.258) 1.258 11.607 ( 0.000 0.000 2.226) 2.226 11.671 ( 0.000 0.000 0.009) 0.009 23.208 ( 0.000 0.000 0.264) 0.264 23.235 ( 0.000 0.000 0.067) 0.067 23.238 ( 0.000 0.000 0.188) 0.188 23.244 ( 0.000 0.000 -0.555) 0.555 24.161 ( 0.000 0.000 0.992) 0.992 24.222 ( 0.000 0.000 -0.860) 0.860 24.318 ( 0.000 0.000 1.884) 1.884 24.446 ( 0.000 0.000 -1.992) 1.992 24.796 ( 0.000 0.000 2.109) 2.109 24.816 ( 0.000 0.000 1.788) 1.788 25.116 ( 0.000 0.000 -0.431) 0.431 25.151 ( 0.000 0.000 -1.223) 1.223 25.306 ( 0.000 0.000 7.291) 7.291 25.482 ( 0.000 0.000 4.649) 4.649 25.683 ( 0.000 0.000 -3.964) 3.964 25.848 ( 0.000 0.000 -5.958) 5.958 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 3.922 0.000 6.056) 7.215 0.461 ( 2.313 0.000 9.656) 9.929 0.607 ( -0.382 0.000 1.866) 1.905 0.660 ( 1.138 0.000 -3.481) 3.662 0.754 ( 0.743 0.000 -2.330) 2.445 0.794 ( -1.026 0.000 2.454) 2.660 0.835 ( -0.586 0.000 4.480) 4.518 0.943 ( 2.840 0.000 4.135) 5.016 1.040 ( 4.043 0.000 7.922) 8.894 1.157 ( 1.090 0.000 3.082) 3.269 1.170 ( -6.462 0.000 -1.501) 6.634 1.193 ( 0.012 0.000 1.063) 1.063 1.206 ( -5.273 0.000 2.873) 6.005 1.318 ( -1.502 0.000 0.155) 1.510 1.484 ( -0.652 0.000 5.758) 5.795 1.587 ( 1.680 0.000 0.856) 1.886 1.645 ( -3.456 0.000 3.205) 4.714 1.692 ( -5.158 0.000 0.454) 5.178 1.719 ( -0.327 0.000 -2.628) 2.648 1.835 ( -1.517 0.000 -1.506) 2.137 1.928 ( -0.459 0.000 -0.846) 0.962 2.047 ( 2.113 0.000 0.511) 2.174 2.069 ( -2.062 0.000 -4.818) 5.241 2.094 ( -1.223 0.000 2.576) 2.851 2.157 ( 3.247 0.000 -0.588) 3.300 2.192 ( -0.102 0.000 0.495) 0.505 2.321 ( -2.333 0.000 2.549) 3.456 2.395 ( 1.931 0.000 2.092) 2.847 2.407 ( 0.678 0.000 -0.597) 0.904 2.429 ( 9.383 0.000 0.518) 9.397 2.553 ( -3.111 0.000 -1.959) 3.676 2.575 ( 4.160 0.000 5.115) 6.593 2.579 ( 8.551 0.000 -7.022) 11.065 2.801 ( -1.595 0.000 -1.644) 2.291 2.871 ( -2.399 0.000 -0.061) 2.400 3.087 ( -5.584 0.000 -5.060) 7.536 8.821 ( 0.824 0.000 0.557) 0.995 8.843 ( 0.485 0.000 -1.980) 2.039 8.873 ( 0.019 0.000 -1.170) 1.170 8.891 ( -0.224 0.000 -2.529) 2.539 8.941 ( -0.138 0.000 0.305) 0.335 8.944 ( -0.457 0.000 0.387) 0.599 9.015 ( -0.100 0.000 0.215) 0.237 9.206 ( -3.484 0.000 -4.940) 6.045 10.809 ( 0.158 0.000 0.921) 0.934 10.818 ( -0.045 0.000 0.678) 0.679 11.039 ( -0.553 0.000 0.870) 1.031 11.078 ( -1.926 0.000 -0.375) 1.962 11.176 ( 0.068 0.000 -0.367) 0.373 11.199 ( -0.406 0.000 -1.103) 1.175 11.204 ( 2.921 0.000 2.451) 3.813 11.349 ( -0.058 0.000 -2.296) 2.297 11.496 ( 2.082 0.000 1.924) 2.835 11.585 ( 0.494 0.000 0.098) 0.503 11.626 ( 2.035 0.000 0.581) 2.117 11.676 ( 0.370 0.000 0.042) 0.373 23.205 ( -0.192 0.000 0.615) 0.644 23.227 ( -0.680 0.000 0.356) 0.768 23.241 ( 0.373 0.000 -0.215) 0.430 23.249 ( 0.222 0.000 -0.461) 0.512 24.170 ( 0.842 0.000 1.058) 1.352 24.228 ( 0.305 0.000 -0.451) 0.544 24.319 ( 0.280 0.000 1.273) 1.303 24.430 ( -1.435 0.000 -1.855) 2.345 24.771 ( -0.944 0.000 2.821) 2.975 24.837 ( 0.468 0.000 1.523) 1.594 25.075 ( -4.864 0.000 4.480) 6.612 25.130 ( -0.586 0.000 0.473) 0.753 25.238 ( -2.799 0.000 6.008) 6.628 25.380 ( -3.899 0.000 1.346) 4.125 25.819 ( 5.855 0.000 -5.023) 7.714 25.870 ( 1.632 0.000 -5.070) 5.326 ======================= Grid point 92 (33/60) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 4.992 0.000 4.185) 6.514 0.549 ( 6.022 0.000 6.791) 9.076 0.571 ( -3.147 0.000 2.907) 4.284 0.700 ( 2.458 0.000 -2.901) 3.803 0.708 ( -7.207 0.000 4.453) 8.472 0.748 ( -1.458 0.000 -2.537) 2.926 0.841 ( 2.470 0.000 1.212) 2.751 0.936 ( -4.722 0.000 -0.673) 4.770 1.019 ( -0.052 0.000 2.632) 2.632 1.094 ( -4.760 0.000 3.299) 5.792 1.182 ( 0.929 0.000 2.511) 2.678 1.193 ( -0.137 0.000 1.912) 1.916 1.232 ( 9.339 0.000 7.097) 11.729 1.338 ( 0.314 0.000 3.729) 3.743 1.451 ( -1.160 0.000 7.501) 7.591 1.510 ( -6.760 0.000 6.121) 9.119 1.638 ( 2.730 0.000 0.538) 2.782 1.667 ( 2.086 0.000 -0.757) 2.219 1.693 ( -2.027 0.000 -0.749) 2.161 1.757 ( -4.981 0.000 -1.764) 5.284 1.943 ( 2.016 0.000 -1.247) 2.370 2.007 ( -3.345 0.000 -2.698) 4.297 2.055 ( 0.523 0.000 3.862) 3.898 2.074 ( -0.873 0.000 3.307) 3.420 2.233 ( 2.886 0.000 -2.721) 3.967 2.248 ( 1.750 0.000 -2.975) 3.451 2.310 ( 1.979 0.000 0.353) 2.010 2.383 ( -3.301 0.000 -1.760) 3.741 2.448 ( 2.285 0.000 0.593) 2.361 2.489 ( -1.940 0.000 -0.499) 2.004 2.629 ( 8.088 0.000 -0.426) 8.099 2.667 ( 4.068 0.000 2.916) 5.005 2.734 ( 3.093 0.000 -4.692) 5.620 2.748 ( -3.190 0.000 0.462) 3.224 2.808 ( -0.489 0.000 -2.750) 2.793 2.939 ( -7.501 0.000 -5.000) 9.014 8.845 ( 1.187 0.000 0.108) 1.192 8.858 ( 0.868 0.000 -1.778) 1.979 8.867 ( -0.676 0.000 -0.647) 0.936 8.878 ( -0.846 0.000 -1.726) 1.923 8.936 ( -0.167 0.000 0.371) 0.406 8.937 ( -0.190 0.000 0.243) 0.309 9.040 ( 2.507 0.000 -2.431) 3.492 9.117 ( -4.200 0.000 -4.093) 5.865 10.813 ( 0.199 0.000 0.851) 0.874 10.816 ( -0.127 0.000 0.758) 0.769 11.033 ( 0.093 0.000 0.137) 0.166 11.045 ( -1.000 0.000 -0.282) 1.039 11.179 ( 0.281 0.000 -0.605) 0.668 11.188 ( -0.492 0.000 -0.887) 1.014 11.272 ( 2.970 0.000 1.074) 3.158 11.326 ( -1.870 0.000 -0.650) 1.980 11.544 ( 2.050 0.000 2.332) 3.105 11.578 ( -0.980 0.000 1.896) 2.134 11.668 ( 1.293 0.000 -0.115) 1.298 11.681 ( -0.022 0.000 0.102) 0.104 23.204 ( 0.201 0.000 0.825) 0.849 23.213 ( -0.555 0.000 0.707) 0.899 23.248 ( 0.271 0.000 -0.451) 0.526 23.252 ( -0.036 0.000 -0.511) 0.512 24.195 ( 1.340 0.000 1.115) 1.743 24.222 ( -0.906 0.000 0.709) 1.150 24.341 ( 1.802 0.000 -0.391) 1.844 24.388 ( -2.241 0.000 -1.405) 2.645 24.772 ( 1.093 0.000 3.595) 3.757 24.813 ( -2.279 0.000 3.362) 4.062 25.021 ( 0.749 0.000 4.705) 4.764 25.077 ( -3.488 0.000 2.588) 4.343 25.248 ( 2.515 0.000 1.514) 2.936 25.311 ( -2.929 0.000 0.176) 2.934 25.894 ( 1.482 0.000 -4.592) 4.825 25.899 ( 0.738 0.000 -4.341) 4.403 ======================= Grid point 95 (34/60) ======================= q-point: ( 0.00 0.12 0.29) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 0.000 6.823 6.717) 9.574 0.505 ( 0.000 6.088 9.051) 10.908 0.621 ( 0.000 0.745 1.350) 1.542 0.703 ( 0.000 1.922 -3.345) 3.858 0.762 ( 0.000 4.620 -2.882) 5.445 0.821 ( 0.000 0.926 -0.509) 1.057 0.826 ( 0.000 -2.351 2.538) 3.459 0.909 ( 0.000 5.165 9.948) 11.209 1.046 ( 0.000 -0.136 1.036) 1.045 1.087 ( 0.000 -3.916 -0.209) 3.922 1.122 ( 0.000 0.809 4.620) 4.691 1.266 ( 0.000 -0.706 2.012) 2.132 1.337 ( 0.000 6.440 4.239) 7.709 1.412 ( 0.000 -0.395 -3.682) 3.703 1.440 ( 0.000 -3.045 4.251) 5.229 1.602 ( 0.000 3.569 -0.699) 3.637 1.682 ( 0.000 -2.734 -1.532) 3.134 1.714 ( 0.000 -5.182 -2.731) 5.858 1.726 ( 0.000 -4.895 3.458) 5.993 1.771 ( 0.000 0.506 0.444) 0.673 1.884 ( 0.000 -3.278 -1.770) 3.725 2.005 ( 0.000 -2.530 -3.988) 4.723 2.068 ( 0.000 4.128 0.534) 4.162 2.126 ( 0.000 0.299 -1.055) 1.097 2.164 ( 0.000 0.225 6.046) 6.050 2.248 ( 0.000 -1.911 0.620) 2.009 2.252 ( 0.000 -0.886 -0.739) 1.154 2.255 ( 0.000 -2.681 1.535) 3.089 2.406 ( 0.000 0.659 1.600) 1.731 2.410 ( 0.000 3.176 0.446) 3.207 2.539 ( 0.000 2.738 4.035) 4.876 2.617 ( 0.000 2.144 -0.725) 2.264 2.647 ( 0.000 8.635 -3.037) 9.154 2.810 ( 0.000 -0.037 -3.365) 3.365 2.881 ( 0.000 -1.354 0.227) 1.372 3.082 ( 0.000 -6.288 -4.438) 7.696 8.826 ( 0.000 -0.542 -1.176) 1.295 8.836 ( 0.000 1.140 -0.255) 1.168 8.894 ( 0.000 0.344 -0.905) 0.968 8.910 ( 0.000 2.471 -1.955) 3.151 8.931 ( 0.000 -0.844 0.560) 1.013 8.972 ( 0.000 3.206 -0.890) 3.327 9.007 ( 0.000 -0.953 0.592) 1.122 9.214 ( 0.000 -3.099 -4.926) 5.820 10.814 ( 0.000 0.694 0.753) 1.024 10.854 ( 0.000 2.470 -1.354) 2.816 11.061 ( 0.000 1.093 1.094) 1.546 11.109 ( 0.000 -0.244 -0.479) 0.538 11.129 ( 0.000 -1.439 -0.020) 1.439 11.167 ( 0.000 -3.276 -1.726) 3.703 11.223 ( 0.000 2.512 1.585) 2.971 11.344 ( 0.000 0.577 -1.662) 1.760 11.461 ( 0.000 -0.869 1.793) 1.992 11.558 ( 0.000 -1.263 -0.748) 1.468 11.598 ( 0.000 -0.700 2.513) 2.608 11.665 ( 0.000 -0.338 0.407) 0.529 23.203 ( 0.000 -0.507 0.357) 0.620 23.223 ( 0.000 -0.981 -0.083) 0.985 23.224 ( 0.000 -0.707 0.382) 0.803 23.244 ( 0.000 0.007 -0.486) 0.486 24.243 ( 0.000 1.282 0.013) 1.282 24.268 ( 0.000 8.164 -3.424) 8.853 24.331 ( 0.000 1.777 0.563) 1.864 24.424 ( 0.000 -2.070 -1.940) 2.837 24.796 ( 0.000 -0.001 2.172) 2.172 24.821 ( 0.000 0.388 1.273) 1.330 25.113 ( 0.000 -0.206 -0.070) 0.217 25.161 ( 0.000 0.868 -1.127) 1.422 25.302 ( 0.000 -0.361 7.998) 8.006 25.481 ( 0.000 0.151 4.289) 4.291 25.663 ( 0.000 -1.959 -1.750) 2.627 25.812 ( 0.000 -2.951 -5.558) 6.293 ======================= Grid point 96 (35/60) ======================= q-point: ( 0.20 0.12 0.29) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 2.821 5.555 5.697) 8.442 0.518 ( 0.403 4.866 7.869) 9.261 0.594 ( -2.051 -0.995 2.261) 3.211 0.725 ( 1.596 2.211 -3.343) 4.314 0.743 ( -0.717 2.306 -2.436) 3.430 0.826 ( 0.435 2.390 0.407) 2.463 0.859 ( 0.042 1.163 2.366) 2.637 0.918 ( 0.764 -0.811 4.645) 4.777 1.053 ( -1.337 -3.783 1.812) 4.402 1.057 ( 2.757 2.125 6.588) 7.451 1.166 ( -1.078 -1.632 -3.035) 3.610 1.208 ( -1.914 1.333 4.837) 5.370 1.317 ( -4.076 4.456 2.059) 6.380 1.346 ( -1.142 3.262 2.308) 4.156 1.444 ( -0.430 -3.897 5.073) 6.412 1.597 ( -0.675 0.484 2.032) 2.195 1.613 ( -5.456 -3.350 2.248) 6.785 1.630 ( -3.143 -3.018 -0.377) 4.374 1.738 ( 1.484 -0.272 -2.479) 2.902 1.796 ( -0.915 -2.826 -1.959) 3.558 1.917 ( 2.632 -0.308 -0.511) 2.699 2.040 ( 1.836 -1.435 -2.066) 3.115 2.079 ( -0.333 0.993 1.873) 2.146 2.114 ( -1.603 1.306 0.412) 2.108 2.159 ( 2.550 1.112 0.684) 2.865 2.214 ( 0.668 1.194 -1.262) 1.861 2.303 ( 1.848 -1.218 2.414) 3.275 2.358 ( 4.270 -2.197 -0.782) 4.865 2.409 ( 1.263 1.652 0.471) 2.132 2.480 ( 6.231 2.484 1.365) 6.846 2.560 ( -1.759 0.718 -2.076) 2.814 2.591 ( 1.524 1.935 3.774) 4.507 2.662 ( 1.068 5.108 -3.422) 6.241 2.791 ( -1.521 -0.700 -2.647) 3.132 2.860 ( -2.059 -0.950 -0.144) 2.272 3.028 ( -4.504 -5.112 -3.941) 7.871 8.831 ( 0.469 -0.612 -1.204) 1.430 8.842 ( 0.525 0.794 -0.463) 1.058 8.893 ( -0.105 0.649 -0.991) 1.190 8.900 ( -0.728 2.279 -1.635) 2.898 8.935 ( 0.352 -0.353 0.507) 0.711 8.974 ( -0.197 2.538 -0.157) 2.550 9.010 ( 0.672 0.185 -1.003) 1.221 9.180 ( -2.798 -2.390 -4.704) 5.972 10.811 ( -0.218 0.266 0.597) 0.689 10.831 ( -1.448 1.131 -0.265) 1.857 11.043 ( -1.118 0.151 0.586) 1.271 11.063 ( -2.338 -1.472 -0.286) 2.778 11.149 ( 1.556 -1.293 0.177) 2.031 11.197 ( 0.805 -0.096 -1.311) 1.541 11.239 ( 1.471 2.076 1.450) 2.928 11.350 ( -0.230 0.072 -1.898) 1.913 11.490 ( 2.302 -0.756 1.822) 3.032 11.571 ( 0.675 -1.281 0.031) 1.449 11.609 ( 1.178 -1.507 1.878) 2.681 11.666 ( 0.042 -0.749 0.485) 0.893 23.201 ( -0.135 -0.369 0.563) 0.686 23.216 ( -0.470 -0.647 0.481) 0.933 23.230 ( 0.425 -0.864 -0.335) 1.020 23.246 ( 0.140 -0.179 -0.491) 0.541 24.244 ( 0.078 1.383 0.053) 1.386 24.261 ( -0.508 6.828 -2.259) 7.210 24.342 ( 0.947 2.430 -0.163) 2.613 24.415 ( -0.749 -1.344 -1.837) 2.396 24.777 ( -0.549 0.554 2.928) 3.030 24.846 ( 1.108 0.683 1.343) 1.870 25.103 ( -4.449 2.359 3.835) 6.330 25.131 ( 0.266 0.109 0.551) 0.622 25.239 ( -3.216 0.083 6.530) 7.279 25.387 ( -4.211 0.672 1.439) 4.500 25.770 ( 5.011 -4.441 -2.959) 7.320 25.831 ( 1.367 -3.300 -4.706) 5.908 ======================= Grid point 97 (36/60) ======================= q-point: ( 0.40 0.12 0.29) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 0.439 1.337 4.954) 5.150 0.511 ( -1.840 -3.107 3.408) 4.965 0.596 ( 4.538 2.769 5.881) 7.927 0.716 ( -3.845 1.560 2.181) 4.687 0.756 ( 0.910 0.908 -3.322) 3.562 0.779 ( -1.921 4.783 -1.836) 5.472 0.871 ( 1.616 2.312 0.612) 2.887 0.929 ( -2.513 -0.582 -0.144) 2.584 1.013 ( -0.006 -0.473 2.820) 2.859 1.059 ( -2.380 -2.229 4.212) 5.327 1.180 ( 5.330 0.109 2.908) 6.073 1.241 ( -1.651 2.660 3.348) 4.584 1.263 ( 2.357 0.864 2.910) 3.843 1.327 ( -1.752 0.474 4.015) 4.406 1.431 ( -0.037 -2.150 7.374) 7.681 1.480 ( -4.955 -2.544 5.187) 7.611 1.583 ( -0.457 -4.168 1.088) 4.332 1.593 ( -0.988 -2.643 0.668) 2.900 1.751 ( 0.520 1.416 -2.132) 2.612 1.775 ( -1.218 1.729 -1.905) 2.847 1.990 ( 3.468 2.216 -0.212) 4.121 2.039 ( -1.016 0.866 1.435) 1.960 2.068 ( -0.207 -0.385 1.375) 1.443 2.086 ( -1.513 4.218 -1.413) 4.698 2.221 ( 2.603 -0.199 -0.928) 2.771 2.246 ( 0.755 0.167 -1.904) 2.055 2.348 ( 2.745 2.557 -0.094) 3.753 2.397 ( -0.651 0.460 -1.578) 1.768 2.447 ( 1.329 0.651 0.693) 1.634 2.483 ( -2.766 0.609 -0.377) 2.857 2.642 ( 4.354 -2.177 2.494) 5.470 2.648 ( 3.915 0.069 0.002) 3.916 2.698 ( 1.234 -0.238 -1.155) 1.707 2.770 ( -0.733 0.695 -2.004) 2.244 2.799 ( -0.949 -1.059 -2.410) 2.798 2.905 ( -6.327 -2.966 -4.003) 8.053 8.845 ( 0.719 -0.757 -1.329) 1.690 8.853 ( 0.212 -0.344 -1.056) 1.131 8.885 ( -0.378 2.006 -1.048) 2.295 8.888 ( -0.395 1.595 -0.890) 1.868 8.946 ( 0.613 0.761 0.355) 1.040 8.961 ( -0.736 1.650 0.320) 1.835 9.044 ( 2.338 0.616 -2.882) 3.762 9.108 ( -3.392 -0.787 -3.985) 5.292 10.808 ( -0.043 -0.360 0.523) 0.636 10.811 ( -0.372 -0.219 0.453) 0.625 11.024 ( -0.450 -0.930 -0.154) 1.044 11.029 ( -0.888 -1.491 -0.468) 1.798 11.177 ( 1.020 -0.014 -0.151) 1.031 11.195 ( -0.622 0.664 -0.614) 1.098 11.284 ( 2.302 0.891 0.681) 2.561 11.328 ( -1.607 0.123 -0.598) 1.719 11.539 ( 1.953 -0.516 2.027) 2.862 11.570 ( -0.781 -0.715 1.687) 1.991 11.642 ( 1.403 -2.383 0.801) 2.879 11.662 ( -0.471 -1.675 0.642) 1.855 23.200 ( 0.134 -0.313 0.695) 0.774 23.206 ( -0.393 -0.436 0.627) 0.859 23.240 ( 0.414 -0.715 -0.525) 0.979 23.246 ( -0.168 -0.437 -0.552) 0.724 24.246 ( 0.119 2.282 -0.055) 2.285 24.251 ( -0.351 4.336 -0.740) 4.413 24.368 ( 1.295 2.335 -1.146) 2.906 24.394 ( -1.094 0.646 -1.674) 2.101 24.790 ( 1.757 1.696 4.150) 4.815 24.840 ( -1.980 2.439 3.589) 4.769 25.034 ( 0.023 1.044 4.919) 5.029 25.087 ( -3.625 0.954 2.949) 4.770 25.245 ( 2.733 -0.263 1.574) 3.165 25.312 ( -3.117 0.212 0.105) 3.126 25.840 ( 1.659 -4.975 -3.559) 6.337 25.853 ( 0.346 -4.186 -3.877) 5.716 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.000 5.113 6.328) 8.136 0.653 ( 0.000 3.182 0.471) 3.217 0.653 ( 0.000 6.741 5.861) 8.933 0.711 ( 0.000 0.923 -0.513) 1.056 0.762 ( 0.000 -2.480 0.769) 2.597 0.866 ( 0.000 2.949 -0.987) 3.110 0.879 ( 0.000 2.690 -1.685) 3.174 0.960 ( 0.000 -0.049 2.044) 2.044 1.035 ( 0.000 -0.428 -3.593) 3.619 1.061 ( 0.000 1.707 -3.734) 4.106 1.239 ( 0.000 8.400 9.886) 12.972 1.253 ( 0.000 0.107 4.233) 4.235 1.313 ( 0.000 -6.414 3.600) 7.355 1.421 ( 0.000 -0.009 -1.154) 1.154 1.460 ( 0.000 4.819 4.709) 6.738 1.536 ( 0.000 -9.255 -0.654) 9.279 1.610 ( 0.000 -5.289 3.937) 6.593 1.651 ( 0.000 -3.117 -2.307) 3.878 1.699 ( 0.000 4.896 -2.056) 5.310 1.756 ( 0.000 -0.029 -1.219) 1.219 1.858 ( 0.000 0.820 1.084) 1.360 1.969 ( 0.000 -1.566 -2.917) 3.310 2.115 ( 0.000 0.035 4.873) 4.873 2.133 ( 0.000 0.482 2.849) 2.889 2.165 ( 0.000 -0.796 2.823) 2.933 2.216 ( 0.000 -1.045 -0.361) 1.106 2.238 ( 0.000 0.347 -0.351) 0.493 2.254 ( 0.000 1.189 -4.081) 4.251 2.421 ( 0.000 0.828 2.676) 2.801 2.449 ( 0.000 -0.028 -0.772) 0.772 2.603 ( 0.000 3.143 0.087) 3.144 2.660 ( 0.000 1.273 1.846) 2.243 2.711 ( 0.000 -0.173 0.210) 0.272 2.841 ( 0.000 0.518 -4.325) 4.355 2.860 ( 0.000 -0.160 -0.125) 0.203 2.942 ( 0.000 -5.371 -2.159) 5.788 8.815 ( 0.000 -0.681 -1.075) 1.272 8.833 ( 0.000 -1.100 -1.407) 1.786 8.883 ( 0.000 -0.631 0.527) 0.822 8.913 ( 0.000 -0.488 -0.136) 0.507 8.959 ( 0.000 -0.165 1.348) 1.358 9.043 ( 0.000 5.694 -2.298) 6.141 9.075 ( 0.000 5.711 -2.382) 6.188 9.133 ( 0.000 -4.220 -4.207) 5.959 10.834 ( 0.000 1.196 0.254) 1.222 10.897 ( 0.000 1.709 -2.264) 2.836 11.080 ( 0.000 -1.943 -1.228) 2.299 11.080 ( 0.000 -2.721 -1.070) 2.924 11.092 ( 0.000 -0.214 -0.412) 0.464 11.127 ( 0.000 0.454 -0.632) 0.778 11.273 ( 0.000 2.182 1.481) 2.637 11.353 ( 0.000 0.142 -0.005) 0.142 11.431 ( 0.000 -2.012 1.609) 2.576 11.508 ( 0.000 -3.296 -0.938) 3.427 11.589 ( 0.000 0.015 3.357) 3.357 11.661 ( 0.000 -0.242 1.519) 1.538 23.195 ( 0.000 -0.198 0.325) 0.380 23.203 ( 0.000 -0.823 -0.167) 0.840 23.219 ( 0.000 0.093 0.104) 0.139 23.244 ( 0.000 0.015 -0.382) 0.383 24.249 ( 0.000 -0.466 0.935) 1.044 24.364 ( 0.000 -3.125 -1.290) 3.381 24.402 ( 0.000 4.600 -1.549) 4.853 24.432 ( 0.000 6.673 -6.780) 9.513 24.792 ( 0.000 -0.498 2.383) 2.434 24.825 ( 0.000 -0.256 0.201) 0.325 25.111 ( 0.000 0.043 0.791) 0.792 25.180 ( 0.000 0.716 -0.726) 1.020 25.296 ( 0.000 0.038 8.042) 8.042 25.499 ( 0.000 1.774 4.272) 4.626 25.596 ( 0.000 -4.497 0.045) 4.497 25.750 ( 0.000 -2.663 -3.108) 4.093 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.20 0.25 0.29) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -2.522 1.007 3.503) 4.432 0.593 ( -2.082 5.154 3.056) 6.343 0.669 ( 0.248 6.984 5.632) 8.975 0.735 ( 1.803 1.222 -1.979) 2.943 0.780 ( -0.485 -1.031 -1.010) 1.522 0.843 ( -0.378 -0.552 1.524) 1.664 0.913 ( 0.707 2.927 1.290) 3.275 0.926 ( -0.831 1.131 0.815) 1.622 1.025 ( 0.007 0.278 -1.888) 1.909 1.096 ( 1.951 -1.311 -3.571) 4.275 1.158 ( -5.417 3.611 4.749) 8.058 1.248 ( -0.778 0.644 4.784) 4.889 1.334 ( -1.711 -0.620 5.806) 6.084 1.347 ( -2.795 -3.083 2.492) 4.851 1.433 ( -2.789 2.492 5.068) 6.299 1.490 ( -3.933 -7.073 0.828) 8.135 1.553 ( -2.352 -2.188 2.268) 3.932 1.665 ( -0.556 2.418 -0.489) 2.529 1.694 ( -0.052 -2.576 -3.725) 4.529 1.774 ( 2.653 1.265 -1.852) 3.474 1.914 ( 3.916 0.058 1.841) 4.328 2.007 ( 2.449 -1.455 -1.652) 3.293 2.090 ( -1.999 -1.064 3.894) 4.504 2.130 ( 0.747 0.961 1.013) 1.583 2.181 ( 1.742 0.127 0.495) 1.815 2.238 ( 0.517 0.834 -1.577) 1.857 2.290 ( 4.971 0.485 0.494) 5.019 2.332 ( 4.691 -0.135 -2.284) 5.219 2.439 ( 1.768 0.470 2.737) 3.292 2.497 ( 3.758 -1.386 -0.322) 4.019 2.595 ( -1.597 2.929 -1.060) 3.501 2.643 ( -0.332 2.425 2.923) 3.813 2.722 ( 0.829 0.555 0.006) 0.998 2.789 ( -3.868 0.005 -3.533) 5.238 2.845 ( -1.649 -0.320 -0.569) 1.773 2.917 ( -2.233 -3.868 -2.181) 4.970 8.821 ( 0.502 -0.391 -1.160) 1.323 8.839 ( 0.475 -0.622 -1.549) 1.736 8.895 ( 0.958 -0.296 0.197) 1.022 8.923 ( 0.938 -0.016 -0.544) 1.084 8.951 ( -0.532 -0.021 1.390) 1.489 9.030 ( -1.071 4.793 -2.127) 5.352 9.075 ( -0.084 4.775 -2.515) 5.397 9.116 ( -1.344 -3.448 -4.020) 5.464 10.823 ( -0.774 0.978 -0.027) 1.248 10.861 ( -2.665 1.780 -1.472) 3.527 11.017 ( -2.323 -2.750 -0.518) 3.637 11.034 ( -2.169 -1.178 -0.519) 2.522 11.138 ( 2.363 0.261 0.215) 2.387 11.193 ( 2.473 -0.297 -1.376) 2.846 11.276 ( 0.408 1.470 1.162) 1.918 11.354 ( -0.577 0.453 -0.884) 1.149 11.458 ( 2.665 -2.333 1.763) 3.956 11.525 ( 1.326 -3.170 -0.380) 3.457 11.585 ( -0.361 -0.495 3.335) 3.391 11.650 ( -0.965 -0.861 1.608) 2.064 23.194 ( -0.008 -0.161 0.380) 0.413 23.206 ( 0.098 -0.526 -0.036) 0.536 23.216 ( -0.054 -0.217 -0.109) 0.249 23.243 ( -0.141 -0.166 -0.447) 0.497 24.263 ( 1.209 0.529 0.343) 1.363 24.365 ( -0.250 -0.946 -2.067) 2.287 24.400 ( -0.141 4.129 -2.794) 4.987 24.431 ( 0.086 5.040 -4.409) 6.697 24.789 ( 0.535 0.454 3.176) 3.253 24.855 ( 2.300 -0.015 1.139) 2.567 25.130 ( -0.591 0.249 2.236) 2.326 25.165 ( -0.268 2.861 1.353) 3.176 25.241 ( -4.044 0.188 6.990) 8.078 25.410 ( -4.751 1.497 1.448) 5.188 25.656 ( 2.914 -5.967 -0.003) 6.641 25.751 ( -0.080 -4.140 -2.937) 5.076 ======================= Grid point 102 (39/60) ======================= q-point: ( 0.40 0.25 0.29) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 0.508 1.699 3.775) 4.171 0.556 ( -3.953 5.269 4.438) 7.943 0.667 ( 1.963 3.731 4.503) 6.168 0.736 ( -3.084 -0.106 1.030) 3.253 0.783 ( 2.772 1.760 -3.430) 4.748 0.839 ( -0.863 0.110 0.830) 1.203 0.921 ( -0.797 1.756 -0.844) 2.105 0.927 ( -0.097 1.257 0.034) 1.261 1.002 ( -1.266 0.134 1.805) 2.209 1.042 ( -1.969 -0.122 1.158) 2.288 1.165 ( 2.702 -1.350 2.281) 3.785 1.227 ( -3.248 -3.679 3.580) 6.074 1.265 ( 1.921 -1.265 4.838) 5.357 1.342 ( -3.722 -0.292 5.820) 6.914 1.365 ( 0.539 -3.243 6.438) 7.229 1.412 ( -3.102 -3.619 4.584) 6.613 1.538 ( 1.058 0.469 -1.016) 1.540 1.594 ( -3.664 2.492 -2.076) 4.893 1.748 ( 3.211 -1.427 -1.499) 3.820 1.802 ( -1.010 0.551 -1.458) 1.858 2.004 ( 3.524 0.324 2.325) 4.234 2.040 ( 0.139 -1.083 3.021) 3.212 2.084 ( 1.592 0.501 -1.696) 2.380 2.125 ( -1.504 -0.368 -1.026) 1.857 2.226 ( 1.879 -0.072 -0.800) 2.043 2.246 ( -0.042 -0.003 -1.228) 1.228 2.395 ( 3.608 2.040 -1.009) 4.265 2.410 ( 1.965 1.355 -1.640) 2.896 2.487 ( 2.136 1.276 2.705) 3.675 2.539 ( -2.734 3.811 0.287) 4.699 2.573 ( 2.689 -3.730 1.436) 4.817 2.631 ( -2.274 0.598 1.890) 3.016 2.731 ( 0.501 -0.915 -2.213) 2.447 2.762 ( 2.766 0.949 -1.871) 3.471 2.791 ( -2.693 0.135 -0.650) 2.774 2.850 ( -3.754 -0.754 -2.236) 4.434 8.835 ( 0.701 -0.115 -1.281) 1.465 8.845 ( -0.065 -0.051 -1.534) 1.537 8.914 ( 0.722 0.506 -0.070) 0.884 8.929 ( -0.606 1.156 -0.269) 1.332 8.963 ( 1.695 0.693 -0.153) 1.838 9.001 ( -1.607 2.853 -1.508) 3.605 9.074 ( 0.108 2.018 -2.927) 3.557 9.086 ( -1.105 -1.216 -3.514) 3.879 10.809 ( -0.292 0.695 -0.150) 0.768 10.817 ( -1.092 0.972 -0.350) 1.503 10.988 ( -0.525 -2.286 -0.817) 2.484 10.995 ( -1.182 -1.812 -0.880) 2.336 11.185 ( 1.867 0.830 0.481) 2.099 11.214 ( -0.481 1.066 -0.076) 1.172 11.297 ( 1.391 0.056 0.177) 1.404 11.329 ( -1.455 0.013 -0.470) 1.529 11.519 ( 2.297 -1.461 1.367) 3.046 11.549 ( -0.072 -1.515 0.773) 1.702 11.583 ( 1.011 -2.729 2.723) 3.985 11.620 ( -1.705 -2.241 1.738) 3.309 23.196 ( 0.167 -0.076 0.391) 0.432 23.201 ( -0.339 -0.003 0.316) 0.464 23.224 ( 0.590 -0.740 -0.529) 1.084 23.236 ( -0.487 -0.511 -0.549) 0.894 24.298 ( 1.884 2.600 -1.140) 3.408 24.340 ( -1.786 3.506 -2.680) 4.761 24.410 ( 0.951 1.363 -2.638) 3.118 24.429 ( -0.510 2.705 -3.123) 4.163 24.835 ( 3.652 2.462 5.239) 6.844 24.900 ( 0.118 2.885 3.843) 4.807 25.053 ( -1.989 0.634 5.461) 5.847 25.113 ( -5.095 1.253 4.036) 6.619 25.246 ( 3.722 0.769 1.306) 4.019 25.326 ( -3.408 1.370 -0.159) 3.677 25.707 ( 1.883 -7.383 -1.614) 7.789 25.740 ( -1.044 -6.388 -2.599) 6.975 ======================= Grid point 105 (40/60) ======================= q-point: ( 0.00 0.38 0.29) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 0.000 1.541 1.963) 2.496 0.678 ( 0.000 -1.661 1.510) 2.245 0.726 ( 0.000 0.204 -2.204) 2.213 0.738 ( 0.000 3.141 1.788) 3.614 0.822 ( 0.000 4.794 2.021) 5.203 0.903 ( 0.000 -0.564 -1.540) 1.640 0.910 ( 0.000 2.588 2.627) 3.688 0.952 ( 0.000 0.966 0.864) 1.296 1.044 ( 0.000 1.137 -0.581) 1.277 1.075 ( 0.000 -1.442 -2.039) 2.497 1.169 ( 0.000 -5.756 1.483) 5.944 1.252 ( 0.000 -3.667 0.201) 3.673 1.393 ( 0.000 -1.180 2.118) 2.424 1.417 ( 0.000 6.625 7.359) 9.902 1.431 ( 0.000 0.935 1.276) 1.582 1.523 ( 0.000 0.665 4.896) 4.941 1.525 ( 0.000 -2.333 2.087) 3.130 1.571 ( 0.000 -2.976 -2.001) 3.586 1.789 ( 0.000 3.455 -1.989) 3.986 1.806 ( 0.000 3.121 -1.100) 3.309 1.896 ( 0.000 2.868 2.970) 4.129 1.944 ( 0.000 -0.594 -0.456) 0.749 2.071 ( 0.000 -3.695 4.827) 6.078 2.111 ( 0.000 -2.915 3.936) 4.898 2.160 ( 0.000 1.334 1.171) 1.775 2.217 ( 0.000 0.943 -0.544) 1.088 2.258 ( 0.000 1.126 -1.226) 1.665 2.277 ( 0.000 0.395 -4.235) 4.254 2.408 ( 0.000 -2.932 -1.026) 3.106 2.426 ( 0.000 -0.801 1.675) 1.856 2.648 ( 0.000 0.699 -1.470) 1.628 2.678 ( 0.000 1.560 1.940) 2.489 2.709 ( 0.000 -0.089 0.659) 0.665 2.762 ( 0.000 -5.056 -2.708) 5.736 2.881 ( 0.000 1.739 0.120) 1.743 2.915 ( 0.000 0.238 -0.652) 0.694 8.797 ( 0.000 -0.877 -1.036) 1.357 8.805 ( 0.000 -1.286 -1.089) 1.685 8.882 ( 0.000 0.542 0.840) 1.000 8.911 ( 0.000 -0.033 -0.089) 0.095 8.948 ( 0.000 -0.042 -0.443) 0.445 9.041 ( 0.000 -3.949 -3.283) 5.135 9.167 ( 0.000 5.103 -2.289) 5.593 9.188 ( 0.000 4.118 -2.640) 4.892 10.865 ( 0.000 1.788 -0.191) 1.798 10.925 ( 0.000 0.718 -1.150) 1.356 11.005 ( 0.000 -2.643 -3.173) 4.130 11.038 ( 0.000 -2.023 -2.568) 3.270 11.116 ( 0.000 1.154 0.547) 1.277 11.135 ( 0.000 0.237 -0.170) 0.292 11.307 ( 0.000 0.958 1.507) 1.786 11.345 ( 0.000 -0.986 1.534) 1.824 11.394 ( 0.000 -0.977 0.449) 1.075 11.440 ( 0.000 -2.858 -1.659) 3.305 11.600 ( 0.000 0.972 3.798) 3.920 11.649 ( 0.000 -0.925 2.528) 2.692 23.192 ( 0.000 -0.232 0.012) 0.232 23.193 ( 0.000 -0.059 0.335) 0.341 23.226 ( 0.000 0.527 -0.148) 0.547 23.243 ( 0.000 -0.143 -0.296) 0.329 24.239 ( 0.000 -0.184 0.361) 0.405 24.297 ( 0.000 -2.969 -0.954) 3.119 24.499 ( 0.000 4.346 -2.654) 5.092 24.542 ( 0.000 3.585 -6.723) 7.619 24.777 ( 0.000 -0.757 2.572) 2.681 24.807 ( 0.000 -1.363 -0.105) 1.367 25.120 ( 0.000 0.896 1.659) 1.886 25.177 ( 0.000 -1.045 1.292) 1.662 25.317 ( 0.000 2.194 3.995) 4.558 25.489 ( 0.000 -5.453 -0.192) 5.457 25.556 ( 0.000 3.583 4.914) 6.081 25.698 ( 0.000 -2.651 1.105) 2.872 ======================= Grid point 106 (41/60) ======================= q-point: ( 0.20 0.38 0.29) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -2.557 2.125 1.374) 3.597 0.669 ( -0.452 -0.351 2.707) 2.767 0.758 ( -0.789 0.857 -1.057) 1.573 0.762 ( 3.057 1.478 -2.151) 4.020 0.810 ( 0.145 4.189 2.976) 5.141 0.844 ( -3.741 2.174 2.727) 5.115 0.933 ( 0.820 0.270 2.489) 2.635 0.960 ( 0.353 1.110 1.137) 1.628 1.035 ( -1.368 -0.129 0.070) 1.376 1.052 ( -0.451 -0.819 -2.235) 2.423 1.129 ( -2.984 -6.137 1.968) 7.102 1.260 ( -0.933 1.241 1.831) 2.401 1.310 ( -7.855 -3.015 1.757) 8.595 1.323 ( -4.210 -4.618 0.158) 6.251 1.407 ( -1.405 4.816 6.952) 8.573 1.467 ( -4.454 0.794 6.046) 7.552 1.542 ( 0.665 0.592 0.374) 0.966 1.613 ( 3.497 -2.833 -1.131) 4.640 1.752 ( -3.309 3.525 -2.288) 5.349 1.813 ( 0.664 1.522 -2.262) 2.806 1.922 ( 2.556 0.733 2.630) 3.740 1.976 ( 0.690 -1.692 1.506) 2.368 2.054 ( 1.396 -0.987 2.215) 2.798 2.135 ( 0.393 -1.251 3.348) 3.596 2.184 ( 2.092 0.779 0.563) 2.302 2.245 ( 0.371 0.284 -0.362) 0.591 2.314 ( 6.365 1.449 -1.714) 6.749 2.344 ( 4.579 0.863 -2.993) 5.538 2.424 ( 0.311 -1.986 2.616) 3.299 2.430 ( 1.595 -4.084 -0.050) 4.385 2.637 ( -1.201 0.640 -0.532) 1.461 2.695 ( 1.306 2.613 1.173) 3.148 2.709 ( -1.247 -2.190 -0.372) 2.547 2.753 ( 0.691 -1.339 -2.137) 2.615 2.862 ( -1.546 2.211 0.246) 2.709 2.906 ( -1.006 0.751 -0.841) 1.511 8.814 ( 1.213 -0.265 -1.178) 1.711 8.826 ( 1.722 -0.631 -1.321) 2.260 8.892 ( 0.697 0.198 0.765) 1.054 8.924 ( 1.152 -0.466 0.428) 1.314 8.943 ( -0.103 0.386 -1.034) 1.108 9.036 ( -0.278 -3.445 -3.375) 4.831 9.143 ( -2.165 4.444 -2.244) 5.429 9.166 ( -1.913 3.367 -2.632) 4.682 10.852 ( -0.898 1.848 -0.501) 2.115 10.902 ( -2.381 2.066 -1.832) 3.646 10.958 ( -1.948 -2.768 -1.007) 3.532 10.999 ( -2.496 -2.041 -1.735) 3.661 11.153 ( 2.455 0.920 0.122) 2.624 11.184 ( 2.936 -0.552 -0.887) 3.116 11.300 ( -0.385 1.037 1.473) 1.842 11.370 ( -1.367 0.564 -0.408) 1.534 11.401 ( 3.614 -2.444 1.789) 4.716 11.459 ( 1.572 -2.815 -0.652) 3.290 11.586 ( -1.232 0.500 3.464) 3.710 11.628 ( -1.789 -1.197 2.429) 3.245 23.193 ( 0.085 -0.018 0.280) 0.293 23.197 ( 0.360 -0.273 -0.089) 0.461 23.220 ( -0.456 0.476 -0.139) 0.674 23.239 ( -0.401 -0.272 -0.358) 0.602 24.272 ( 2.768 0.480 -0.313) 2.826 24.324 ( 2.320 -2.052 -1.513) 3.447 24.488 ( -1.206 3.797 -3.384) 5.227 24.522 ( -1.672 3.044 -5.988) 6.922 24.796 ( 2.147 0.344 3.366) 4.008 24.841 ( 3.197 -1.244 1.566) 3.771 25.141 ( 0.437 0.974 2.845) 3.039 25.196 ( 1.246 -0.430 3.447) 3.690 25.268 ( -3.752 3.053 2.879) 5.629 25.426 ( -3.686 -1.327 -0.225) 3.924 25.561 ( -0.432 -1.656 3.034) 3.483 25.668 ( -2.462 -3.852 0.175) 4.574 ======================= Grid point 107 (42/60) ======================= q-point: ( 0.40 0.38 0.29) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 3.543 4.631 2.396) 6.304 0.663 ( -1.846 3.421 2.534) 4.640 0.708 ( -1.920 -1.648 -0.250) 2.543 0.733 ( -3.859 2.061 1.587) 4.654 0.825 ( 1.492 2.010 1.998) 3.203 0.839 ( 0.933 1.688 2.489) 3.149 0.940 ( -0.320 1.262 1.152) 1.738 0.965 ( 1.562 -0.907 1.133) 2.132 0.997 ( -3.337 1.682 -0.857) 3.834 1.021 ( -1.586 -2.641 -1.344) 3.361 1.113 ( -0.604 -5.736 3.065) 6.531 1.163 ( -4.667 -3.551 2.482) 6.368 1.192 ( 2.495 -0.069 5.455) 5.999 1.325 ( -1.060 -0.903 2.552) 2.907 1.333 ( -4.408 -1.758 5.740) 7.448 1.370 ( -1.978 0.508 4.671) 5.098 1.580 ( 2.991 2.927 -2.070) 4.669 1.663 ( -3.951 3.499 -3.528) 6.348 1.704 ( 3.999 -2.441 0.005) 4.685 1.790 ( -3.081 -1.826 -1.439) 3.859 1.992 ( 3.819 -1.147 1.647) 4.314 2.020 ( 3.379 -0.928 2.440) 4.270 2.063 ( -1.605 -1.556 0.638) 2.325 2.103 ( -3.160 -1.494 1.792) 3.928 2.246 ( 2.586 2.241 -0.390) 3.444 2.262 ( 0.840 1.850 -0.551) 2.105 2.412 ( 1.246 -2.674 0.552) 3.001 2.421 ( 1.065 -1.157 -0.181) 1.583 2.472 ( 4.016 0.238 0.764) 4.095 2.486 ( 3.971 -2.457 0.586) 4.706 2.596 ( -1.939 0.289 -0.253) 1.977 2.636 ( -4.105 -2.404 -0.591) 4.793 2.744 ( 2.398 3.925 0.054) 4.600 2.782 ( 0.155 2.370 -1.137) 2.634 2.832 ( 0.041 2.218 -0.117) 2.221 2.870 ( -2.170 1.236 -1.008) 2.693 8.841 ( 1.178 0.708 -1.108) 1.765 8.855 ( 0.342 0.859 -1.324) 1.615 8.905 ( 0.649 -1.105 0.187) 1.295 8.923 ( -0.782 -1.195 0.157) 1.437 8.989 ( 3.531 1.603 -1.571) 4.184 9.045 ( 0.878 -0.424 -3.216) 3.360 9.081 ( -2.719 1.956 -1.949) 3.875 9.111 ( -2.896 1.254 -2.633) 4.110 10.838 ( -0.219 1.955 -0.807) 2.127 10.851 ( -1.581 2.192 -1.148) 2.936 10.938 ( -0.171 -2.513 -1.155) 2.771 10.952 ( -1.535 -2.294 -1.472) 3.128 11.209 ( 2.496 1.322 0.623) 2.892 11.237 ( 1.092 0.966 0.097) 1.461 11.288 ( -0.015 -0.455 0.537) 0.704 11.326 ( -2.376 -0.598 -0.147) 2.455 11.486 ( 3.419 -1.347 1.221) 3.872 11.504 ( 2.440 -2.112 0.832) 3.332 11.550 ( -1.816 -0.716 2.724) 3.352 11.576 ( -2.846 -1.870 2.146) 4.025 23.197 ( 0.325 0.176 0.153) 0.400 23.205 ( -0.121 0.230 -0.082) 0.273 23.212 ( 0.255 -0.311 -0.282) 0.491 23.226 ( -0.716 -0.463 -0.424) 0.953 24.347 ( 3.704 2.024 -1.987) 4.665 24.384 ( 2.301 0.768 -2.927) 3.802 24.444 ( -2.106 1.858 -3.574) 4.545 24.473 ( -2.761 1.242 -4.551) 5.466 24.885 ( 5.890 2.328 5.589) 8.447 24.941 ( 4.941 0.689 3.969) 6.375 25.065 ( -5.532 0.904 6.104) 8.287 25.121 ( -6.822 -0.617 5.341) 8.686 25.291 ( 4.334 3.636 0.422) 5.673 25.371 ( -2.385 2.841 -0.754) 3.785 25.555 ( 0.864 -6.825 0.220) 6.883 25.605 ( -3.055 -6.326 -1.050) 7.103 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 0.000 -1.809 0.324) 1.838 0.639 ( 0.000 1.809 0.324) 1.838 0.748 ( 0.000 -1.406 -1.045) 1.752 0.748 ( 0.000 1.406 -1.045) 1.752 0.875 ( 0.000 -1.523 0.309) 1.554 0.875 ( 0.000 1.523 0.309) 1.554 0.981 ( 0.000 -0.945 3.181) 3.318 0.981 ( 0.000 0.945 3.181) 3.318 1.038 ( 0.000 -0.303 0.733) 0.794 1.038 ( 0.000 0.303 0.733) 0.794 1.143 ( 0.000 -3.909 -0.692) 3.970 1.143 ( 0.000 3.909 -0.692) 3.970 1.421 ( 0.000 -1.324 2.993) 3.273 1.421 ( 0.000 1.324 2.993) 3.273 1.499 ( 0.000 -1.282 1.408) 1.905 1.499 ( 0.000 1.282 1.408) 1.904 1.536 ( 0.000 -2.308 2.990) 3.777 1.536 ( 0.000 2.308 2.990) 3.778 1.833 ( 0.000 -0.604 -1.786) 1.886 1.833 ( 0.000 0.604 -1.786) 1.886 1.945 ( 0.000 -0.116 2.299) 2.302 1.945 ( 0.000 0.116 2.299) 2.302 2.039 ( 0.000 -2.484 3.588) 4.364 2.039 ( 0.000 2.484 3.588) 4.364 2.210 ( 0.000 -2.512 1.711) 3.040 2.210 ( 0.000 2.512 1.711) 3.040 2.270 ( 0.000 -0.629 -3.386) 3.444 2.270 ( 0.000 0.629 -3.386) 3.444 2.391 ( 0.000 -1.625 -0.224) 1.640 2.391 ( 0.000 1.625 -0.224) 1.640 2.675 ( 0.000 -2.444 -0.416) 2.479 2.675 ( 0.000 2.444 -0.416) 2.479 2.707 ( 0.000 -0.971 -0.426) 1.060 2.707 ( 0.000 0.971 -0.426) 1.060 2.910 ( 0.000 -0.850 0.102) 0.856 2.910 ( 0.000 0.850 0.102) 0.856 8.789 ( 0.000 -0.189 -0.932) 0.951 8.789 ( 0.000 0.189 -0.932) 0.951 8.899 ( 0.000 -0.909 0.655) 1.121 8.899 ( 0.000 0.909 0.655) 1.121 8.974 ( 0.000 -2.416 -2.222) 3.283 8.974 ( 0.000 2.416 -2.222) 3.283 9.228 ( 0.000 -0.519 -2.567) 2.619 9.228 ( 0.000 0.519 -2.567) 2.619 10.906 ( 0.000 -2.062 -0.165) 2.069 10.906 ( 0.000 2.062 -0.165) 2.069 10.999 ( 0.000 -1.502 -3.597) 3.898 10.999 ( 0.000 1.502 -3.597) 3.898 11.133 ( 0.000 -0.483 0.291) 0.564 11.133 ( 0.000 0.483 0.291) 0.564 11.321 ( 0.000 -0.906 1.833) 2.045 11.321 ( 0.000 0.906 1.833) 2.045 11.399 ( 0.000 -1.182 -1.077) 1.600 11.399 ( 0.000 1.182 -1.077) 1.600 11.625 ( 0.000 -1.305 3.357) 3.601 11.625 ( 0.000 1.305 3.357) 3.601 23.191 ( 0.000 -0.066 0.248) 0.257 23.191 ( 0.000 0.066 0.248) 0.257 23.237 ( 0.000 -0.469 -0.243) 0.528 23.237 ( 0.000 0.469 -0.243) 0.528 24.251 ( 0.000 -1.394 -0.364) 1.440 24.251 ( 0.000 1.394 -0.364) 1.440 24.565 ( 0.000 -1.477 -4.681) 4.908 24.565 ( 0.000 1.477 -4.681) 4.908 24.778 ( 0.000 -1.053 1.232) 1.620 24.778 ( 0.000 1.053 1.232) 1.620 25.147 ( 0.000 -1.603 2.120) 2.658 25.147 ( 0.000 1.603 2.120) 2.658 25.386 ( 0.000 -4.300 0.752) 4.365 25.386 ( 0.000 4.300 0.752) 4.365 25.634 ( 0.000 -3.591 4.011) 5.384 25.634 ( 0.000 3.591 4.011) 5.384 ======================= Grid point 112 (44/60) ======================= q-point: ( 0.20 -0.50 0.29) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -0.815 -3.109 0.653) 3.280 0.615 ( -0.815 3.109 0.653) 3.280 0.778 ( 0.961 -0.132 -1.859) 2.097 0.778 ( 0.961 0.132 -1.859) 2.097 0.860 ( -0.565 -1.997 2.490) 3.242 0.860 ( -0.565 1.997 2.490) 3.242 0.981 ( -0.885 -1.082 2.925) 3.242 0.981 ( -0.885 1.082 2.925) 3.242 1.002 ( -2.336 -2.366 1.524) 3.658 1.002 ( -2.336 2.366 1.524) 3.658 1.146 ( 0.563 -6.246 -0.643) 6.305 1.146 ( 0.563 6.246 -0.643) 6.305 1.304 ( -7.715 -0.696 2.036) 8.009 1.304 ( -7.715 0.696 2.036) 8.009 1.473 ( -3.906 -1.160 5.452) 6.807 1.473 ( -3.906 1.160 5.452) 6.807 1.566 ( 2.961 -1.798 -0.350) 3.482 1.566 ( 2.961 1.798 -0.350) 3.482 1.809 ( -2.426 -1.834 -2.696) 4.064 1.809 ( -2.426 1.834 -2.696) 4.064 1.943 ( 1.106 -1.299 2.560) 3.076 1.943 ( 1.106 1.299 2.560) 3.076 2.079 ( 1.471 -2.995 2.627) 4.247 2.079 ( 1.471 2.995 2.627) 4.247 2.228 ( 2.271 -2.516 1.501) 3.707 2.228 ( 2.271 2.516 1.501) 3.707 2.341 ( 4.851 -1.197 -2.294) 5.498 2.341 ( 4.851 1.197 -2.294) 5.498 2.386 ( 0.192 -1.191 0.215) 1.226 2.386 ( 0.192 1.191 0.215) 1.226 2.656 ( -1.772 -1.704 -0.316) 2.478 2.656 ( -1.772 1.704 -0.316) 2.478 2.739 ( 2.627 -1.084 -0.517) 2.889 2.739 ( 2.627 1.084 -0.517) 2.889 2.903 ( -0.798 -1.256 -0.007) 1.488 2.903 ( -0.798 1.256 -0.007) 1.488 8.814 ( 2.070 -0.361 -1.068) 2.357 8.814 ( 2.070 0.361 -1.068) 2.357 8.905 ( 0.349 -0.977 0.714) 1.259 8.905 ( 0.349 0.977 0.714) 1.259 8.974 ( 0.444 -2.333 -2.424) 3.394 8.974 ( 0.444 2.333 -2.424) 3.394 9.198 ( -2.724 -0.589 -2.540) 3.770 9.198 ( -2.724 0.589 -2.540) 3.770 10.897 ( -0.714 -2.381 -0.590) 2.555 10.897 ( -0.714 2.381 -0.590) 2.555 10.954 ( -2.914 -2.214 -2.360) 4.355 10.954 ( -2.914 2.214 -2.360) 4.355 11.171 ( 2.619 -0.768 -0.292) 2.745 11.171 ( 2.619 0.768 -0.292) 2.745 11.332 ( -0.001 -2.265 1.597) 2.772 11.332 ( -0.001 2.265 1.597) 2.772 11.412 ( 1.825 -1.803 -0.450) 2.604 11.412 ( 1.825 1.803 -0.450) 2.604 11.603 ( -1.866 -1.124 3.045) 3.744 11.603 ( -1.866 1.124 3.045) 3.744 23.194 ( 0.225 -0.102 0.143) 0.285 23.194 ( 0.225 0.102 0.143) 0.285 23.231 ( -0.512 -0.495 -0.268) 0.762 23.231 ( -0.512 0.495 -0.268) 0.762 24.289 ( 3.284 -1.261 -1.005) 3.658 24.289 ( 3.284 1.261 -1.005) 3.658 24.543 ( -2.065 -1.077 -4.924) 5.447 24.543 ( -2.065 1.077 -4.924) 5.447 24.812 ( 3.348 -1.279 2.672) 4.470 24.812 ( 3.348 1.279 2.672) 4.470 25.170 ( 0.767 -1.605 3.705) 4.110 25.170 ( 0.767 1.605 3.705) 4.110 25.351 ( -2.014 -4.518 -0.033) 4.947 25.351 ( -2.014 4.518 -0.033) 4.947 25.593 ( -3.482 -3.261 2.893) 5.579 25.593 ( -3.482 3.261 2.893) 5.579 ======================= Grid point 114 (45/60) ======================= q-point: ( 0.40 -0.50 0.29) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 3.215 -2.792 0.645) 4.307 0.640 ( 3.215 2.792 0.645) 4.307 0.732 ( -4.262 -1.523 0.042) 4.526 0.732 ( -4.262 1.523 0.042) 4.526 0.884 ( 1.947 -3.550 3.751) 5.519 0.884 ( 1.947 3.550 3.751) 5.519 0.939 ( -2.835 -3.809 2.593) 5.411 0.939 ( -2.835 3.809 2.593) 5.411 0.985 ( 2.030 -3.601 1.540) 4.411 0.985 ( 2.030 3.601 1.540) 4.411 1.083 ( -6.328 -3.444 0.509) 7.222 1.083 ( -6.328 3.444 0.509) 7.222 1.250 ( 3.688 -3.992 2.286) 5.896 1.250 ( 3.688 3.992 2.286) 5.896 1.361 ( -5.703 -1.588 4.420) 7.388 1.361 ( -5.703 1.588 4.420) 7.388 1.644 ( 4.046 -3.050 -1.050) 5.174 1.644 ( 4.046 3.050 -1.050) 5.174 1.735 ( -4.020 -3.134 -2.216) 5.558 1.735 ( -4.020 3.134 -2.216) 5.558 1.994 ( 3.135 -1.247 1.727) 3.790 1.994 ( 3.135 1.247 1.727) 3.790 2.063 ( -2.621 -1.713 1.587) 3.510 2.063 ( -2.621 1.713 1.587) 3.510 2.300 ( 3.516 -0.813 1.476) 3.899 2.300 ( 3.516 0.813 1.476) 3.899 2.357 ( -1.493 -0.821 0.923) 1.938 2.357 ( -1.493 0.821 0.923) 1.938 2.485 ( 5.931 -0.133 -1.049) 6.025 2.485 ( 5.931 0.133 -1.049) 6.025 2.595 ( -3.886 -0.742 -0.671) 4.013 2.595 ( -3.886 0.742 -0.671) 4.013 2.807 ( 3.275 -1.173 -0.356) 3.496 2.807 ( 3.275 1.173 -0.356) 3.496 2.870 ( -2.285 -1.345 -0.182) 2.658 2.870 ( -2.285 1.345 -0.182) 2.658 8.861 ( 1.935 -0.853 -0.918) 2.305 8.861 ( 1.935 0.853 -0.918) 2.305 8.896 ( -1.206 -0.984 -0.211) 1.571 8.896 ( -1.206 0.984 -0.211) 1.571 9.021 ( 3.794 -1.432 -2.205) 4.616 9.021 ( 3.794 1.432 -2.205) 4.616 9.117 ( -4.438 -0.828 -2.386) 5.107 9.117 ( -4.438 0.828 -2.386) 5.107 10.885 ( -0.092 -2.446 -1.221) 2.736 10.885 ( -0.092 2.446 -1.221) 2.736 10.902 ( -1.649 -2.471 -1.546) 3.349 10.902 ( -1.649 2.471 -1.546) 3.349 11.235 ( 3.175 -1.060 0.182) 3.352 11.235 ( 3.175 1.060 0.182) 3.352 11.301 ( -2.554 -1.499 0.749) 3.055 11.301 ( -2.554 1.500 0.749) 3.055 11.477 ( 3.476 -0.504 1.087) 3.676 11.477 ( 3.476 0.504 1.087) 3.676 11.549 ( -2.989 -0.644 2.184) 3.757 11.549 ( -2.989 0.644 2.184) 3.757 23.202 ( 0.552 -0.286 -0.081) 0.627 23.202 ( 0.552 0.286 -0.081) 0.627 23.217 ( -0.727 -0.455 -0.246) 0.893 23.217 ( -0.727 0.455 -0.246) 0.893 24.379 ( 4.606 -1.038 -2.661) 5.419 24.379 ( 4.606 1.038 -2.661) 5.419 24.476 ( -3.945 -0.906 -4.311) 5.913 24.476 ( -3.945 0.906 -4.311) 5.913 24.928 ( 7.056 -1.628 4.843) 8.712 24.928 ( 7.056 1.628 4.843) 8.712 25.094 ( -7.125 -1.659 5.934) 9.419 25.094 ( -7.125 1.659 5.934) 9.419 25.381 ( 4.517 -4.038 -0.903) 6.126 25.381 ( 4.517 4.038 -0.903) 6.126 25.495 ( -5.206 -3.284 0.772) 6.204 25.495 ( -5.206 3.284 0.772) 6.204 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.000 0.000 5.946) 5.946 0.553 ( 0.000 0.000 -5.210) 5.210 0.614 ( 0.000 0.000 8.374) 8.374 0.650 ( 0.000 0.000 2.383) 2.383 0.697 ( 0.000 0.000 -2.546) 2.546 0.746 ( 0.000 0.000 -5.626) 5.626 0.941 ( 0.000 0.000 5.213) 5.213 0.996 ( 0.000 0.000 0.741) 0.741 1.162 ( 0.000 0.000 7.400) 7.400 1.193 ( 0.000 0.000 1.556) 1.556 1.203 ( 0.000 0.000 0.022) 0.022 1.203 ( 0.000 0.000 0.040) 0.040 1.283 ( 0.000 0.000 -2.983) 2.983 1.307 ( 0.000 0.000 -1.369) 1.369 1.587 ( 0.000 0.000 6.110) 6.110 1.599 ( 0.000 0.000 2.421) 2.421 1.655 ( 0.000 0.000 -3.336) 3.336 1.696 ( 0.000 0.000 -5.072) 5.072 1.793 ( 0.000 0.000 1.624) 1.624 1.806 ( 0.000 0.000 0.425) 0.425 1.946 ( 0.000 0.000 1.632) 1.632 1.991 ( 0.000 0.000 0.269) 0.269 2.001 ( 0.000 0.000 -4.141) 4.141 2.019 ( 0.000 0.000 -2.664) 2.664 2.248 ( 0.000 0.000 4.454) 4.454 2.299 ( 0.000 0.000 0.480) 0.480 2.301 ( 0.000 0.000 1.286) 1.286 2.343 ( 0.000 0.000 -4.611) 4.611 2.358 ( 0.000 0.000 1.058) 1.058 2.378 ( 0.000 0.000 -1.076) 1.076 2.475 ( 0.000 0.000 3.875) 3.875 2.542 ( 0.000 0.000 -3.164) 3.164 2.643 ( 0.000 0.000 6.657) 6.657 2.750 ( 0.000 0.000 -4.710) 4.710 2.935 ( 0.000 0.000 3.813) 3.813 3.034 ( 0.000 0.000 -6.371) 6.371 8.816 ( 0.000 0.000 -0.089) 0.089 8.828 ( 0.000 0.000 0.982) 0.982 8.837 ( 0.000 0.000 -2.294) 2.294 8.848 ( 0.000 0.000 -1.190) 1.190 8.949 ( 0.000 0.000 0.292) 0.292 8.952 ( 0.000 0.000 -0.048) 0.048 9.070 ( 0.000 0.000 3.483) 3.483 9.150 ( 0.000 0.000 -4.984) 4.984 10.822 ( 0.000 0.000 0.612) 0.612 10.827 ( 0.000 0.000 0.140) 0.140 11.072 ( 0.000 0.000 1.181) 1.181 11.092 ( 0.000 0.000 -0.917) 0.917 11.174 ( 0.000 0.000 0.170) 0.170 11.183 ( 0.000 0.000 -0.862) 0.862 11.226 ( 0.000 0.000 3.153) 3.153 11.284 ( 0.000 0.000 -2.964) 2.964 11.502 ( 0.000 0.000 1.881) 1.881 11.538 ( 0.000 0.000 -1.803) 1.803 11.644 ( 0.000 0.000 1.578) 1.578 11.665 ( 0.000 0.000 -0.705) 0.705 23.217 ( 0.000 0.000 0.634) 0.634 23.230 ( 0.000 0.000 -0.722) 0.722 23.238 ( 0.000 0.000 0.117) 0.117 23.240 ( 0.000 0.000 -0.033) 0.033 24.181 ( 0.000 0.000 1.171) 1.171 24.203 ( 0.000 0.000 -1.107) 1.107 24.358 ( 0.000 0.000 2.377) 2.377 24.404 ( 0.000 0.000 -2.431) 2.431 24.830 ( 0.000 0.000 1.271) 1.271 24.838 ( 0.000 0.000 0.413) 0.413 25.113 ( 0.000 0.000 0.249) 0.249 25.127 ( 0.000 0.000 -1.137) 1.137 25.454 ( 0.000 0.000 7.929) 7.929 25.588 ( 0.000 0.000 6.596) 6.596 25.588 ( 0.000 0.000 -6.152) 6.152 25.721 ( 0.000 0.000 -7.290) 7.290 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 2.802 0.000 5.427) 6.107 0.577 ( 2.108 0.000 -4.681) 5.134 0.628 ( 1.182 0.000 8.039) 8.125 0.655 ( -0.037 0.000 2.582) 2.582 0.706 ( 0.414 0.000 -2.729) 2.760 0.754 ( 0.489 0.000 -5.035) 5.058 0.925 ( -2.125 0.000 4.458) 4.939 0.978 ( -1.812 0.000 -0.513) 1.883 1.149 ( -5.387 0.000 0.923) 5.466 1.189 ( -1.948 0.000 -0.735) 2.082 1.202 ( 0.721 0.000 1.405) 1.580 1.209 ( 0.516 0.000 0.425) 0.669 1.235 ( 2.321 0.000 5.982) 6.416 1.317 ( 2.553 0.000 -1.337) 2.882 1.593 ( -0.472 0.000 5.434) 5.454 1.616 ( 1.457 0.000 2.209) 2.647 1.665 ( 0.791 0.000 -2.890) 2.996 1.669 ( -1.999 0.000 -2.195) 2.969 1.728 ( -4.024 0.000 3.966) 5.650 1.796 ( -2.108 0.000 -2.942) 3.619 1.933 ( -0.724 0.000 1.522) 1.686 1.985 ( -1.236 0.000 -3.842) 4.036 2.045 ( 3.356 0.000 1.105) 3.534 2.091 ( 4.145 0.000 -2.890) 5.053 2.179 ( -1.441 0.000 2.148) 2.587 2.201 ( -2.749 0.000 -0.105) 2.751 2.358 ( -0.841 0.000 1.609) 1.816 2.385 ( 0.074 0.000 -1.304) 1.306 2.443 ( 8.238 0.000 1.210) 8.326 2.448 ( -0.856 0.000 3.203) 3.315 2.484 ( 7.522 0.000 -3.349) 8.234 2.507 ( -2.420 0.000 -2.891) 3.770 2.673 ( 2.116 0.000 5.000) 5.429 2.754 ( 0.070 0.000 -3.449) 3.449 2.896 ( -3.440 0.000 3.014) 4.574 2.981 ( -4.650 0.000 -5.628) 7.301 8.822 ( 0.580 0.000 -0.062) 0.584 8.834 ( 0.555 0.000 0.820) 0.990 8.843 ( 0.447 0.000 -2.131) 2.177 8.852 ( 0.270 0.000 -1.038) 1.072 8.946 ( -0.232 0.000 0.216) 0.317 8.948 ( -0.348 0.000 0.037) 0.350 9.044 ( -1.869 0.000 2.802) 3.368 9.114 ( -2.898 0.000 -4.576) 5.417 10.824 ( 0.100 0.000 0.568) 0.577 10.827 ( 0.022 0.000 0.187) 0.188 11.056 ( -1.074 0.000 0.870) 1.382 11.070 ( -1.529 0.000 -0.545) 1.624 11.172 ( -0.095 0.000 0.069) 0.118 11.180 ( -0.259 0.000 -0.767) 0.810 11.253 ( 1.971 0.000 2.715) 3.355 11.303 ( 0.994 0.000 -2.594) 2.777 11.531 ( 2.243 0.000 1.839) 2.900 11.564 ( 1.983 0.000 -1.661) 2.587 11.651 ( 0.676 0.000 1.406) 1.560 11.671 ( 0.453 0.000 -0.644) 0.788 23.218 ( 0.061 0.000 0.744) 0.746 23.229 ( -0.146 0.000 -0.275) 0.311 23.238 ( 0.012 0.000 -0.042) 0.044 23.241 ( 0.026 0.000 -0.357) 0.358 24.192 ( 0.916 0.000 1.216) 1.522 24.213 ( 0.833 0.000 -1.016) 1.314 24.350 ( -0.626 0.000 2.032) 2.126 24.391 ( -1.130 0.000 -2.220) 2.491 24.820 ( -0.201 0.000 2.235) 2.244 24.847 ( 0.393 0.000 -0.478) 0.619 25.116 ( -0.406 0.000 1.060) 1.135 25.131 ( 0.138 0.000 -0.477) 0.496 25.354 ( -6.318 0.000 5.186) 8.174 25.402 ( -6.635 0.000 0.070) 6.635 25.755 ( 5.574 0.000 -1.352) 5.736 25.781 ( 3.554 0.000 -3.786) 5.193 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 3.729 0.000 4.237) 5.645 0.622 ( -0.855 0.000 0.331) 0.917 0.645 ( 1.558 0.000 -0.816) 1.758 0.666 ( 2.586 0.000 5.469) 6.049 0.695 ( -1.641 0.000 -3.118) 3.523 0.739 ( -2.807 0.000 -1.622) 3.241 0.866 ( -0.989 0.000 2.005) 2.236 0.909 ( -3.999 0.000 -2.084) 4.509 1.077 ( 0.144 0.000 3.081) 3.084 1.117 ( -2.907 0.000 -0.773) 3.008 1.218 ( 0.570 0.000 1.112) 1.250 1.220 ( 0.323 0.000 0.796) 0.859 1.357 ( 5.727 0.000 5.259) 7.775 1.397 ( 2.858 0.000 1.293) 3.137 1.569 ( -0.859 0.000 4.199) 4.286 1.600 ( -3.854 0.000 1.718) 4.220 1.653 ( 1.612 0.000 1.057) 1.928 1.666 ( -0.523 0.000 1.790) 1.865 1.675 ( -0.227 0.000 -1.158) 1.180 1.716 ( -4.269 0.000 -2.526) 4.961 1.934 ( 0.850 0.000 0.372) 0.928 1.958 ( -1.145 0.000 -2.163) 2.447 2.108 ( 2.341 0.000 2.208) 3.218 2.135 ( 0.165 0.000 1.521) 1.529 2.185 ( 0.783 0.000 -2.316) 2.444 2.192 ( 0.491 0.000 -1.484) 1.563 2.326 ( -0.718 0.000 1.258) 1.449 2.353 ( -2.541 0.000 -1.497) 2.949 2.460 ( 1.050 0.000 0.719) 1.273 2.475 ( -0.525 0.000 -0.884) 1.028 2.625 ( 7.725 0.000 0.285) 7.730 2.653 ( 7.700 0.000 -3.058) 8.285 2.716 ( 1.697 0.000 2.193) 2.773 2.745 ( -0.880 0.000 -0.825) 1.207 2.794 ( -5.416 0.000 1.037) 5.514 2.846 ( -7.289 0.000 -4.334) 8.480 8.839 ( 0.831 0.000 -0.190) 0.852 8.848 ( 0.604 0.000 0.293) 0.671 8.850 ( -0.017 0.000 -1.215) 1.215 8.856 ( -0.026 0.000 -0.500) 0.501 8.941 ( -0.205 0.000 0.115) 0.235 8.941 ( -0.221 0.000 0.126) 0.254 9.016 ( -0.107 0.000 0.152) 0.186 9.047 ( -2.708 0.000 -2.985) 4.030 10.826 ( 0.101 0.000 0.453) 0.464 10.827 ( -0.024 0.000 0.308) 0.309 11.039 ( -0.387 0.000 0.316) 0.500 11.043 ( -0.769 0.000 -0.104) 0.776 11.171 ( 0.023 0.000 -0.194) 0.196 11.174 ( -0.244 0.000 -0.515) 0.570 11.293 ( 1.420 0.000 1.074) 1.781 11.311 ( -0.261 0.000 -0.900) 0.937 11.579 ( 1.749 0.000 1.458) 2.277 11.595 ( 0.407 0.000 -0.092) 0.417 11.670 ( 0.833 0.000 0.357) 0.906 11.679 ( 0.085 0.000 -0.402) 0.411 23.220 ( 0.164 0.000 0.783) 0.800 23.225 ( -0.227 0.000 0.455) 0.509 23.239 ( 0.078 0.000 -0.477) 0.484 23.240 ( -0.043 0.000 -0.586) 0.588 24.216 ( 1.109 0.000 1.032) 1.515 24.229 ( 0.199 0.000 -0.150) 0.249 24.341 ( 0.120 0.000 0.534) 0.548 24.361 ( -1.431 0.000 -1.404) 2.005 24.829 ( 0.957 0.000 2.287) 2.479 24.849 ( -0.441 0.000 0.363) 0.572 25.091 ( -0.916 0.000 2.400) 2.568 25.108 ( -2.012 0.000 0.493) 2.071 25.282 ( -0.212 0.000 1.839) 1.851 25.307 ( -2.343 0.000 -0.720) 2.452 25.832 ( 1.626 0.000 -1.727) 2.372 25.835 ( 1.221 0.000 -2.074) 2.407 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.12 0.43) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 0.000 6.738 5.804) 8.893 0.623 ( 0.000 5.195 -4.002) 6.558 0.655 ( 0.000 0.371 2.259) 2.289 0.662 ( 0.000 4.267 6.188) 7.516 0.707 ( 0.000 1.793 -2.535) 3.105 0.773 ( 0.000 2.514 -4.310) 4.990 0.904 ( 0.000 -3.402 5.195) 6.210 0.984 ( 0.000 -1.697 -1.877) 2.531 1.051 ( 0.000 -4.784 1.245) 4.944 1.076 ( 0.000 -4.652 -0.953) 4.748 1.270 ( 0.000 4.399 7.082) 8.337 1.294 ( 0.000 1.257 1.193) 1.733 1.348 ( 0.000 3.844 -1.732) 4.216 1.376 ( 0.000 6.603 -0.814) 6.653 1.542 ( 0.000 -4.308 5.871) 7.282 1.608 ( 0.000 1.455 1.257) 1.923 1.643 ( 0.000 -0.714 -2.275) 2.385 1.645 ( 0.000 -4.965 -4.721) 6.851 1.770 ( 0.000 -3.862 1.401) 4.108 1.782 ( 0.000 -1.985 0.134) 1.990 1.879 ( 0.000 -2.100 1.476) 2.567 1.930 ( 0.000 -1.872 -3.658) 4.109 2.072 ( 0.000 4.449 0.308) 4.460 2.091 ( 0.000 3.070 -1.778) 3.548 2.256 ( 0.000 -1.974 1.234) 2.328 2.260 ( 0.000 -0.210 3.114) 3.121 2.263 ( 0.000 -2.208 0.397) 2.243 2.283 ( 0.000 -2.477 0.839) 2.615 2.403 ( 0.000 2.323 -0.751) 2.442 2.404 ( 0.000 1.273 -0.857) 1.535 2.595 ( 0.000 4.059 0.532) 4.093 2.606 ( 0.000 8.308 -1.206) 8.395 2.645 ( 0.000 0.752 4.608) 4.669 2.736 ( 0.000 -1.028 -4.576) 4.690 2.910 ( 0.000 -2.213 2.997) 3.726 2.989 ( 0.000 -4.065 -5.056) 6.488 8.813 ( 0.000 -0.287 -0.026) 0.288 8.825 ( 0.000 -0.467 -0.971) 1.077 8.879 ( 0.000 2.092 -0.526) 2.157 8.879 ( 0.000 3.577 -0.758) 3.657 8.944 ( 0.000 0.046 0.713) 0.714 8.957 ( 0.000 1.291 -0.722) 1.479 9.044 ( 0.000 -2.123 3.180) 3.824 9.120 ( 0.000 -2.661 -4.753) 5.447 10.830 ( 0.000 0.636 0.771) 0.999 10.841 ( 0.000 1.149 -0.449) 1.233 11.082 ( 0.000 0.834 1.016) 1.315 11.098 ( 0.000 0.463 -0.708) 0.846 11.127 ( 0.000 -3.097 0.069) 3.098 11.138 ( 0.000 -3.644 -1.135) 3.817 11.263 ( 0.000 2.327 2.422) 3.359 11.307 ( 0.000 1.675 -2.200) 2.765 11.497 ( 0.000 -0.830 1.938) 2.108 11.532 ( 0.000 -0.988 -1.763) 2.021 11.639 ( 0.000 -0.202 1.783) 1.794 11.663 ( 0.000 0.021 -0.685) 0.685 23.213 ( 0.000 -0.453 0.652) 0.794 23.222 ( 0.000 -0.976 -0.154) 0.988 23.228 ( 0.000 -0.710 0.103) 0.717 23.233 ( 0.000 -0.091 -0.556) 0.564 24.238 ( 0.000 4.818 -0.366) 4.832 24.240 ( 0.000 2.988 -0.292) 3.002 24.350 ( 0.000 -0.504 1.527) 1.608 24.385 ( 0.000 -1.728 -2.086) 2.709 24.830 ( 0.000 0.031 1.243) 1.244 24.839 ( 0.000 -0.008 0.366) 0.366 25.118 ( 0.000 0.410 0.590) 0.719 25.136 ( 0.000 0.833 -1.292) 1.537 25.459 ( 0.000 0.069 8.192) 8.192 25.578 ( 0.000 -0.487 5.883) 5.903 25.591 ( 0.000 -0.150 -5.656) 5.658 25.696 ( 0.000 -1.820 -6.524) 6.773 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.20 0.12 0.43) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 1.754 5.286 5.364) 7.732 0.616 ( -1.443 -0.564 1.485) 2.146 0.650 ( 0.771 3.319 -1.574) 3.754 0.672 ( -0.307 2.763 0.936) 2.934 0.703 ( 0.505 1.536 1.164) 1.992 0.789 ( 0.674 2.845 -4.054) 4.999 0.920 ( -0.419 -0.817 3.752) 3.862 0.965 ( -1.643 -1.076 -0.120) 1.968 1.058 ( -0.130 -4.368 0.590) 4.410 1.089 ( 1.637 -4.095 -2.156) 4.909 1.215 ( -2.480 0.339 4.778) 5.394 1.269 ( -1.051 1.182 -0.324) 1.614 1.335 ( -0.733 5.962 2.899) 6.670 1.379 ( -0.133 5.630 -0.256) 5.638 1.545 ( -0.230 -4.249 5.023) 6.583 1.612 ( -2.321 -4.197 -1.805) 5.124 1.628 ( 1.255 0.690 2.173) 2.603 1.677 ( -0.071 -1.549 -0.993) 1.842 1.694 ( -1.851 -1.954 1.964) 3.332 1.755 ( -2.143 -3.001 -2.707) 4.575 1.922 ( 2.662 0.452 1.401) 3.041 1.972 ( 2.621 -0.206 -3.729) 4.563 2.102 ( 1.009 2.770 0.807) 3.056 2.120 ( 1.164 1.473 -0.790) 2.036 2.180 ( -1.284 0.718 1.489) 2.093 2.199 ( -1.225 0.026 -0.605) 1.367 2.341 ( 1.516 -1.243 1.403) 2.411 2.353 ( 2.258 -1.953 -0.004) 2.985 2.424 ( 2.812 0.770 1.470) 3.265 2.465 ( 4.518 0.491 -2.515) 5.194 2.556 ( -1.807 4.685 1.722) 5.308 2.602 ( 0.008 6.702 -2.910) 7.306 2.667 ( 1.475 -0.227 3.990) 4.260 2.736 ( -0.094 -1.463 -3.346) 3.653 2.878 ( -2.857 -1.624 2.361) 4.047 2.945 ( -3.829 -3.226 -4.439) 6.692 8.817 ( 0.359 -0.444 -0.097) 0.579 8.828 ( 0.276 -0.642 -1.026) 1.241 8.877 ( -0.174 3.038 -0.495) 3.083 8.879 ( -0.081 1.822 -0.511) 1.894 8.947 ( 0.315 0.500 0.725) 0.935 8.962 ( 0.428 1.794 -0.856) 2.034 9.027 ( -1.330 -1.502 2.521) 3.222 9.093 ( -2.239 -1.958 -4.335) 5.257 10.823 ( -0.448 -0.000 0.544) 0.704 10.829 ( -0.777 0.256 -0.118) 0.827 11.052 ( -1.691 -0.725 0.370) 1.877 11.058 ( -2.090 -1.321 -0.295) 2.490 11.155 ( 1.488 -0.968 0.600) 1.874 11.172 ( 1.318 -0.433 -1.179) 1.820 11.273 ( 0.949 1.513 2.091) 2.750 11.313 ( 0.333 0.828 -2.073) 2.257 11.524 ( 2.136 -0.899 1.755) 2.908 11.554 ( 1.698 -1.162 -1.450) 2.517 11.645 ( 0.487 -0.496 1.638) 1.780 11.666 ( 0.231 -0.285 -0.559) 0.669 23.213 ( 0.020 -0.473 0.720) 0.862 23.223 ( -0.145 -0.504 -0.062) 0.528 23.225 ( 0.060 -0.962 0.097) 0.969 23.235 ( 0.065 -0.299 -0.696) 0.760 24.241 ( 0.214 3.945 -0.108) 3.952 24.244 ( 0.267 2.597 -0.282) 2.626 24.350 ( 0.034 0.184 1.055) 1.071 24.379 ( -0.527 -1.047 -1.869) 2.206 24.829 ( 0.471 0.723 2.298) 2.455 24.856 ( 1.160 0.676 -0.423) 1.407 25.131 ( 0.446 1.272 0.587) 1.470 25.139 ( 0.054 0.835 -0.084) 0.840 25.359 ( -6.421 0.368 5.325) 8.350 25.410 ( -6.921 0.713 0.020) 6.958 25.728 ( 4.667 -2.599 -1.050) 5.444 25.750 ( 3.115 -2.561 -3.330) 5.230 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.40 0.12 0.43) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 0.435 1.669 5.324) 5.597 0.588 ( -0.502 -1.440 4.510) 4.760 0.665 ( 1.574 0.077 -1.788) 2.383 0.680 ( 0.854 3.226 -4.221) 5.381 0.711 ( 0.044 1.289 1.825) 2.234 0.761 ( -3.670 1.438 -1.666) 4.279 0.885 ( -0.480 1.530 1.167) 1.983 0.911 ( -2.737 0.377 -1.404) 3.099 1.076 ( 1.794 -0.744 3.055) 3.620 1.106 ( -0.528 -0.924 0.203) 1.083 1.227 ( 2.684 -0.244 2.801) 3.887 1.268 ( -0.584 2.789 -0.790) 2.956 1.329 ( 0.904 -1.401 3.320) 3.715 1.364 ( -1.447 -0.617 -0.171) 1.582 1.537 ( -0.241 -3.029 3.082) 4.328 1.555 ( -2.018 -3.412 1.548) 4.255 1.631 ( -0.891 -2.644 3.660) 4.603 1.633 ( -0.719 -2.561 2.999) 4.009 1.713 ( 1.030 1.844 -1.594) 2.646 1.733 ( -0.578 2.215 -2.639) 3.493 1.984 ( 2.539 3.436 0.225) 4.278 2.011 ( 0.360 3.063 -2.526) 3.986 2.099 ( -0.284 -0.546 1.291) 1.430 2.103 ( -0.763 -1.846 1.245) 2.354 2.205 ( 1.154 1.650 -0.692) 2.129 2.210 ( 0.806 1.701 -1.463) 2.384 2.355 ( 0.694 1.838 0.833) 2.134 2.373 ( -0.312 0.974 -1.007) 1.435 2.460 ( 0.149 0.916 0.729) 1.179 2.473 ( -1.616 0.794 -0.624) 1.906 2.636 ( 6.131 0.500 0.014) 6.151 2.656 ( 4.225 0.593 -1.940) 4.687 2.699 ( 1.722 -1.126 2.152) 2.977 2.735 ( 0.748 -0.943 -1.793) 2.159 2.789 ( -5.115 -0.438 1.099) 5.250 2.832 ( -6.113 -1.368 -3.396) 7.125 8.827 ( 0.491 -0.803 -0.380) 1.015 8.833 ( 0.039 -0.963 -0.910) 1.326 8.874 ( -0.075 2.062 -0.190) 2.072 8.876 ( -0.194 1.698 -0.389) 1.752 8.958 ( 0.625 1.357 0.813) 1.701 8.970 ( -0.127 2.244 0.055) 2.248 9.007 ( 0.194 -0.756 -0.328) 0.846 9.039 ( -2.310 -0.703 -3.094) 3.925 10.816 ( -0.092 -0.700 0.316) 0.774 10.818 ( -0.217 -0.658 0.203) 0.722 11.023 ( -0.784 -1.486 -0.001) 1.680 11.024 ( -0.895 -1.690 -0.110) 1.915 11.177 ( 0.603 0.654 0.218) 0.916 11.185 ( -0.026 0.945 -0.513) 1.076 11.298 ( 1.092 0.405 0.814) 1.421 11.314 ( -0.301 0.176 -0.833) 0.903 11.570 ( 1.637 -0.967 1.210) 2.254 11.583 ( 0.490 -1.111 -0.164) 1.225 11.658 ( 0.656 -1.121 0.819) 1.535 11.668 ( -0.142 -0.953 -0.128) 0.972 23.215 ( 0.110 -0.491 0.755) 0.908 23.218 ( -0.209 -0.469 0.598) 0.788 23.229 ( 0.236 -0.787 -0.532) 0.979 23.234 ( -0.142 -0.516 -0.744) 0.916 24.246 ( 0.213 2.481 0.128) 2.493 24.248 ( 0.053 1.759 0.006) 1.760 24.354 ( 0.367 1.128 -0.121) 1.193 24.366 ( -0.620 0.479 -1.237) 1.464 24.857 ( 1.834 2.470 2.631) 4.048 24.879 ( 0.405 2.691 0.417) 2.753 25.104 ( -1.476 1.179 2.344) 3.011 25.121 ( -2.209 1.128 0.529) 2.536 25.280 ( -0.293 -0.111 1.940) 1.966 25.307 ( -2.536 0.072 -0.797) 2.659 25.792 ( 1.387 -3.753 -1.347) 4.222 25.796 ( 0.963 -3.550 -1.828) 4.107 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 0.000 -0.548 2.501) 2.560 0.678 ( 0.000 0.679 -1.075) 1.271 0.681 ( 0.000 6.949 4.526) 8.293 0.759 ( 0.000 3.271 -0.343) 3.289 0.797 ( 0.000 2.049 4.279) 4.744 0.843 ( 0.000 2.386 -0.153) 2.391 0.844 ( 0.000 3.877 -1.417) 4.128 0.922 ( 0.000 -2.664 -5.344) 5.972 1.013 ( 0.000 0.189 0.616) 0.644 1.022 ( 0.000 -0.602 -0.674) 0.903 1.309 ( 0.000 -0.051 1.922) 1.922 1.329 ( 0.000 -1.476 0.010) 1.476 1.428 ( 0.000 4.127 6.938) 8.073 1.436 ( 0.000 -3.030 3.075) 4.317 1.489 ( 0.000 -0.656 -1.620) 1.747 1.515 ( 0.000 -2.007 -2.274) 3.033 1.634 ( 0.000 -1.800 0.607) 1.899 1.650 ( 0.000 -2.106 -0.172) 2.113 1.691 ( 0.000 1.346 1.549) 2.052 1.728 ( 0.000 -0.196 -1.867) 1.877 1.884 ( 0.000 1.677 1.695) 2.384 1.921 ( 0.000 0.366 -2.222) 2.252 2.148 ( 0.000 2.365 -0.186) 2.372 2.152 ( 0.000 3.030 -0.157) 3.034 2.211 ( 0.000 -1.983 0.489) 2.042 2.230 ( 0.000 -0.774 -0.754) 1.080 2.245 ( 0.000 -1.815 2.326) 2.950 2.245 ( 0.000 -1.841 2.973) 3.497 2.420 ( 0.000 0.385 -1.404) 1.456 2.422 ( 0.000 -0.558 -1.565) 1.662 2.643 ( 0.000 1.083 4.031) 4.174 2.698 ( 0.000 2.426 1.756) 2.994 2.705 ( 0.000 0.216 -1.139) 1.159 2.749 ( 0.000 2.143 -4.857) 5.308 2.866 ( 0.000 -1.048 1.063) 1.493 2.899 ( 0.000 -3.089 -2.252) 3.823 8.802 ( 0.000 -0.795 -0.213) 0.823 8.809 ( 0.000 -0.992 -0.948) 1.372 8.895 ( 0.000 -0.098 0.733) 0.740 8.907 ( 0.000 -0.345 -0.503) 0.610 8.994 ( 0.000 -1.943 2.485) 3.154 9.019 ( 0.000 5.772 -0.071) 5.772 9.035 ( 0.000 4.573 -1.757) 4.899 9.055 ( 0.000 -2.483 -3.811) 4.549 10.846 ( 0.000 0.985 1.007) 1.409 10.868 ( 0.000 1.407 -1.225) 1.865 11.053 ( 0.000 -4.216 -0.779) 4.288 11.056 ( 0.000 -3.264 -0.966) 3.404 11.104 ( 0.000 1.124 0.747) 1.350 11.116 ( 0.000 0.827 -0.588) 1.015 11.308 ( 0.000 1.913 1.986) 2.758 11.340 ( 0.000 1.331 -1.289) 1.853 11.459 ( 0.000 -2.718 1.443) 3.078 11.485 ( 0.000 -3.339 -1.365) 3.607 11.643 ( 0.000 0.526 2.254) 2.315 11.670 ( 0.000 0.466 -0.537) 0.711 23.203 ( 0.000 -0.264 0.350) 0.438 23.204 ( 0.000 -0.623 0.135) 0.637 23.220 ( 0.000 -0.134 0.278) 0.309 23.232 ( 0.000 -0.009 -0.790) 0.790 24.276 ( 0.000 -0.427 1.969) 2.015 24.324 ( 0.000 -0.815 -3.104) 3.209 24.364 ( 0.000 3.590 -0.579) 3.637 24.373 ( 0.000 3.372 -1.267) 3.602 24.828 ( 0.000 -0.370 1.193) 1.249 24.834 ( 0.000 -0.475 0.378) 0.607 25.130 ( 0.000 0.839 1.325) 1.569 25.158 ( 0.000 1.209 -1.488) 1.917 25.436 ( 0.000 -2.351 6.808) 7.202 25.547 ( 0.000 -4.145 -4.795) 6.338 25.594 ( 0.000 2.218 5.411) 5.848 25.685 ( 0.000 0.839 -4.068) 4.154 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.20 0.25 0.43) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -3.179 -0.395 3.240) 4.557 0.642 ( -1.039 2.796 -0.301) 2.998 0.699 ( -0.006 3.299 1.271) 3.535 0.745 ( -0.991 1.824 -1.777) 2.732 0.788 ( -0.571 4.985 4.665) 6.851 0.866 ( 0.194 3.722 -2.488) 4.481 0.897 ( 2.203 0.229 1.986) 2.975 0.944 ( 0.152 -0.969 -1.292) 1.622 1.002 ( 0.765 -1.197 -0.066) 1.422 1.026 ( 0.982 -1.610 -2.674) 3.273 1.245 ( -3.642 2.228 3.869) 5.762 1.293 ( -1.603 0.300 -0.758) 1.798 1.380 ( -4.043 -3.711 3.350) 6.430 1.440 ( -3.666 -3.779 -2.245) 5.724 1.472 ( 1.819 0.168 5.915) 6.191 1.528 ( -0.478 -0.249 0.625) 0.825 1.605 ( -3.153 -3.410 1.964) 5.043 1.635 ( -2.623 -1.446 -2.133) 3.677 1.680 ( 1.817 1.493 2.141) 3.180 1.733 ( 2.224 1.180 -2.730) 3.714 1.945 ( 4.022 1.206 1.592) 4.491 1.975 ( 3.536 0.369 -1.636) 3.914 2.140 ( -2.207 0.041 1.380) 2.604 2.149 ( -1.105 2.133 0.467) 2.447 2.182 ( 1.009 -0.241 0.369) 1.101 2.206 ( 0.656 0.367 -1.670) 1.831 2.311 ( 3.531 -1.318 1.166) 3.945 2.320 ( 3.831 -1.501 0.343) 4.129 2.456 ( 3.089 1.221 -0.022) 3.322 2.470 ( 3.928 -0.282 -1.757) 4.312 2.626 ( -1.557 1.704 3.702) 4.363 2.688 ( -0.172 1.916 1.536) 2.462 2.707 ( -1.638 -0.732 -3.237) 3.701 2.718 ( -1.051 2.994 -1.879) 3.688 2.846 ( -1.896 -0.769 0.807) 2.199 2.875 ( -2.174 -2.191 -2.104) 3.736 8.806 ( 0.395 -0.502 -0.274) 0.695 8.814 ( 0.356 -0.647 -0.995) 1.239 8.902 ( 0.576 0.478 0.528) 0.916 8.914 ( 0.449 0.310 -0.587) 0.801 8.984 ( -0.750 -1.333 2.078) 2.581 9.008 ( -0.857 3.226 -0.234) 3.346 9.034 ( -0.231 4.447 -1.650) 4.749 9.044 ( -0.815 -1.583 -3.229) 3.687 10.829 ( -1.202 0.689 0.569) 1.498 10.842 ( -1.800 1.042 -0.790) 2.225 11.011 ( -2.067 -2.878 0.006) 3.543 11.020 ( -2.103 -2.357 -0.812) 3.262 11.149 ( 2.653 0.329 0.910) 2.824 11.169 ( 2.795 0.069 -1.176) 3.033 11.304 ( -0.225 1.367 1.630) 2.139 11.333 ( -0.603 1.066 -1.369) 1.837 11.487 ( 2.331 -2.527 1.390) 3.708 11.510 ( 1.963 -2.970 -1.046) 3.711 11.638 ( -0.456 -0.139 2.159) 2.211 11.662 ( -0.707 -0.211 -0.356) 0.820 23.203 ( 0.024 -0.284 0.384) 0.479 23.206 ( 0.223 -0.649 -0.001) 0.686 23.217 ( -0.272 -0.173 0.379) 0.498 23.230 ( -0.193 -0.165 -0.835) 0.873 24.279 ( 0.322 0.474 1.426) 1.536 24.317 ( -0.577 0.995 -2.542) 2.790 24.368 ( 0.374 2.157 -0.352) 2.217 24.381 ( 0.432 2.669 -1.632) 3.159 24.844 ( 1.995 0.561 2.313) 3.106 24.867 ( 2.746 0.293 -0.149) 2.765 25.155 ( 1.561 1.166 1.047) 2.212 25.172 ( 0.699 2.071 -0.560) 2.256 25.359 ( -5.664 -0.623 5.367) 7.827 25.425 ( -6.796 0.280 -1.056) 6.883 25.659 ( 2.284 -3.326 0.997) 4.156 25.698 ( 0.609 -2.158 -2.695) 3.506 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.40 0.25 0.43) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 2.070 1.453 5.603) 6.147 0.646 ( -1.079 2.833 3.241) 4.438 0.693 ( 0.980 2.290 -2.888) 3.814 0.725 ( -0.847 0.747 -1.133) 1.600 0.750 ( -1.189 3.203 1.938) 3.928 0.811 ( -5.058 3.906 -3.601) 7.336 0.914 ( 0.481 0.990 0.777) 1.348 0.927 ( -0.741 1.073 -0.395) 1.362 1.033 ( 1.216 -2.651 1.330) 3.205 1.051 ( 0.079 -4.187 -0.376) 4.205 1.231 ( 2.178 0.794 4.052) 4.668 1.285 ( -1.596 -2.119 -0.029) 2.653 1.314 ( 0.713 -0.416 2.629) 2.756 1.365 ( -2.694 -1.429 -1.460) 3.381 1.478 ( -2.102 -2.106 1.671) 3.412 1.482 ( -1.239 -2.745 2.975) 4.234 1.564 ( -0.636 -2.607 2.173) 3.453 1.579 ( -1.284 -1.955 1.190) 2.624 1.738 ( 2.437 0.275 0.552) 2.514 1.770 ( 0.019 0.818 -2.134) 2.285 2.029 ( 3.400 0.683 0.618) 3.522 2.045 ( 2.831 0.222 -1.276) 3.113 2.095 ( -1.770 1.049 1.739) 2.695 2.115 ( -2.264 1.603 -0.401) 2.803 2.212 ( 1.288 -0.521 -0.222) 1.407 2.222 ( 0.374 -0.318 -1.121) 1.224 2.383 ( 2.497 0.993 -0.132) 2.690 2.389 ( 2.078 0.729 -0.656) 2.298 2.522 ( 1.742 3.360 1.107) 3.943 2.536 ( 0.345 4.301 -0.507) 4.345 2.608 ( 1.239 -2.987 2.244) 3.936 2.646 ( -2.226 -1.687 -1.065) 2.989 2.702 ( 1.695 0.409 0.098) 1.746 2.726 ( 0.825 0.456 -1.846) 2.072 2.789 ( -2.546 1.123 0.542) 2.835 2.811 ( -3.286 0.592 -1.718) 3.755 8.817 ( 0.467 -0.044 -0.490) 0.678 8.821 ( 0.168 -0.056 -0.887) 0.905 8.913 ( 0.330 1.457 0.037) 1.495 8.918 ( -0.118 1.640 -0.547) 1.733 8.976 ( 0.211 -0.731 1.167) 1.393 8.988 ( -0.786 0.499 0.021) 0.932 9.026 ( -0.303 2.104 -1.893) 2.846 9.029 ( -0.499 0.596 -2.178) 2.313 10.809 ( -0.412 0.237 0.115) 0.489 10.812 ( -0.707 0.348 -0.182) 0.809 10.978 ( -0.816 -2.558 -0.195) 2.692 10.982 ( -1.126 -2.400 -0.518) 2.701 11.197 ( 1.555 1.196 0.733) 2.095 11.209 ( 0.658 1.332 -0.450) 1.552 11.303 ( 0.242 -0.029 0.549) 0.600 11.316 ( -0.829 0.056 -0.788) 1.145 11.540 ( 1.994 -1.726 0.915) 2.791 11.552 ( 1.205 -1.872 -0.280) 2.244 11.627 ( -0.245 -1.785 1.618) 2.422 11.640 ( -1.160 -1.719 0.222) 2.086 23.205 ( 0.155 -0.317 0.505) 0.616 23.210 ( -0.222 -0.365 0.585) 0.724 23.214 ( 0.344 -0.535 -0.468) 0.790 23.223 ( -0.419 -0.439 -0.767) 0.978 24.290 ( 0.580 2.096 0.186) 2.183 24.303 ( -0.632 2.590 -1.271) 2.953 24.377 ( 0.451 0.969 -0.747) 1.304 24.385 ( -0.119 1.396 -1.477) 2.036 24.918 ( 4.230 2.991 3.163) 6.070 24.943 ( 3.140 3.048 0.525) 4.407 25.130 ( -3.142 1.149 2.609) 4.243 25.152 ( -3.700 1.726 0.280) 4.092 25.282 ( 0.242 0.511 2.239) 2.309 25.316 ( -2.590 0.951 -1.148) 2.988 25.688 ( 0.722 -5.866 -0.242) 5.916 25.700 ( -0.340 -5.410 -1.466) 5.616 ======================= Grid point 150 (55/60) ======================= q-point: ( 0.00 0.38 0.43) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 0.000 -0.408 1.839) 1.884 0.680 ( 0.000 -0.351 -2.400) 2.426 0.719 ( 0.000 -2.907 2.508) 3.840 0.755 ( 0.000 -0.663 -0.732) 0.987 0.857 ( 0.000 2.804 1.508) 3.184 0.875 ( 0.000 0.972 -0.860) 1.298 0.959 ( 0.000 4.433 0.345) 4.447 0.959 ( 0.000 5.522 1.484) 5.718 1.036 ( 0.000 1.034 -1.207) 1.589 1.040 ( 0.000 2.221 -0.555) 2.289 1.209 ( 0.000 -7.205 2.401) 7.594 1.243 ( 0.000 -6.371 -1.101) 6.466 1.417 ( 0.000 -0.191 0.417) 0.459 1.422 ( 0.000 0.810 -0.484) 0.944 1.533 ( 0.000 3.823 3.705) 5.324 1.557 ( 0.000 -1.369 0.227) 1.387 1.574 ( 0.000 -2.444 2.091) 3.216 1.585 ( 0.000 0.890 1.166) 1.466 1.767 ( 0.000 3.226 -0.295) 3.239 1.780 ( 0.000 2.764 -1.411) 3.103 1.935 ( 0.000 3.190 1.016) 3.348 1.941 ( 0.000 1.674 0.039) 1.674 2.142 ( 0.000 -4.070 2.739) 4.906 2.167 ( 0.000 -2.002 0.436) 2.049 2.201 ( 0.000 1.696 2.385) 2.927 2.203 ( 0.000 -0.855 0.866) 1.217 2.222 ( 0.000 -0.157 -1.477) 1.485 2.238 ( 0.000 1.310 -1.631) 2.092 2.392 ( 0.000 -1.893 -0.153) 1.899 2.414 ( 0.000 -1.277 -2.008) 2.379 2.656 ( 0.000 0.178 2.088) 2.096 2.701 ( 0.000 -0.987 -2.051) 2.276 2.708 ( 0.000 -0.298 1.046) 1.087 2.722 ( 0.000 -2.233 -0.904) 2.409 2.883 ( 0.000 1.733 0.311) 1.760 2.897 ( 0.000 1.185 -1.098) 1.615 8.783 ( 0.000 -0.820 -0.308) 0.876 8.787 ( 0.000 -0.991 -0.678) 1.201 8.897 ( 0.000 0.416 0.654) 0.775 8.905 ( 0.000 0.288 -0.323) 0.433 8.954 ( 0.000 -1.602 0.926) 1.851 8.985 ( 0.000 -2.835 -2.469) 3.760 9.138 ( 0.000 4.707 -0.593) 4.744 9.147 ( 0.000 4.224 -1.509) 4.485 10.872 ( 0.000 1.561 1.030) 1.871 10.900 ( 0.000 1.745 -1.667) 2.414 10.973 ( 0.000 -3.393 -0.091) 3.394 10.993 ( 0.000 -2.744 -1.978) 3.382 11.126 ( 0.000 0.939 0.467) 1.049 11.132 ( 0.000 0.646 -0.214) 0.681 11.339 ( 0.000 1.020 1.678) 1.963 11.359 ( 0.000 0.426 -0.151) 0.452 11.401 ( 0.000 -2.371 0.324) 2.393 11.412 ( 0.000 -3.188 -1.096) 3.371 11.656 ( 0.000 0.647 2.065) 2.164 11.674 ( 0.000 -0.072 0.160) 0.175 23.199 ( 0.000 0.081 0.554) 0.560 23.203 ( 0.000 0.134 0.451) 0.470 23.220 ( 0.000 0.120 -0.134) 0.180 23.231 ( 0.000 -0.138 -0.888) 0.898 24.253 ( 0.000 -1.053 1.113) 1.532 24.277 ( 0.000 -2.232 -1.235) 2.551 24.452 ( 0.000 3.451 -1.656) 3.828 24.455 ( 0.000 3.634 -2.307) 4.305 24.815 ( 0.000 -0.752 1.211) 1.426 24.819 ( 0.000 -0.893 0.626) 1.090 25.153 ( 0.000 1.353 1.832) 2.278 25.181 ( 0.000 0.809 -0.859) 1.180 25.384 ( 0.000 -1.959 3.579) 4.080 25.451 ( 0.000 -4.529 -3.270) 5.586 25.652 ( 0.000 2.839 4.436) 5.267 25.704 ( 0.000 0.549 -1.024) 1.162 ======================= Grid point 151 (56/60) ======================= q-point: ( 0.20 0.38 0.43) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -1.497 0.987 3.230) 3.695 0.676 ( -0.322 0.069 -4.327) 4.339 0.719 ( -0.207 -1.213 2.427) 2.721 0.757 ( -0.259 -0.319 -1.295) 1.359 0.864 ( 0.837 2.260 2.619) 3.559 0.890 ( 0.539 0.833 0.840) 1.300 0.956 ( -0.541 3.398 1.203) 3.645 0.979 ( 0.926 3.664 0.366) 3.796 1.015 ( -1.817 2.947 -1.315) 3.703 1.023 ( -1.096 0.559 -1.320) 1.805 1.195 ( -0.199 -7.167 4.340) 8.381 1.260 ( 1.425 -5.006 -1.976) 5.567 1.322 ( -6.872 -2.033 0.385) 7.177 1.328 ( -6.253 -0.936 -0.055) 6.323 1.515 ( -1.954 2.795 3.908) 5.187 1.542 ( -2.341 0.468 1.252) 2.695 1.574 ( -1.364 0.162 2.313) 2.691 1.601 ( 1.869 -1.349 -0.570) 2.375 1.730 ( -2.492 2.246 0.403) 3.379 1.765 ( -0.130 1.047 -2.714) 2.912 1.965 ( 2.246 0.834 1.735) 2.958 1.985 ( 2.076 0.510 -0.411) 2.177 2.113 ( -0.433 -1.656 3.707) 4.084 2.165 ( -0.794 -1.633 -0.908) 2.030 2.198 ( 1.243 1.802 0.991) 2.403 2.221 ( 0.695 1.569 -1.502) 2.280 2.300 ( 5.541 0.300 -0.012) 5.549 2.309 ( 4.865 1.108 -0.912) 5.073 2.430 ( 3.042 -3.514 0.416) 4.666 2.442 ( 2.338 -2.673 -0.441) 3.579 2.645 ( -1.267 0.033 1.508) 1.970 2.681 ( -2.035 -1.940 -2.061) 3.486 2.718 ( 0.955 1.204 0.931) 1.797 2.731 ( 1.109 0.282 -0.666) 1.324 2.867 ( -1.318 2.175 0.538) 2.599 2.885 ( -1.157 1.593 -1.248) 2.331 8.799 ( 1.212 -0.188 -0.318) 1.267 8.804 ( 1.370 -0.303 -0.850) 1.640 8.907 ( 0.711 0.193 0.810) 1.095 8.919 ( 1.162 0.480 -0.530) 1.364 8.946 ( -0.439 -1.687 0.935) 1.978 8.978 ( -0.366 -2.542 -2.534) 3.608 9.115 ( -2.026 4.003 -0.511) 4.515 9.125 ( -1.926 3.508 -1.546) 4.290 10.853 ( -1.404 1.609 0.546) 2.204 10.872 ( -2.096 1.820 -1.406) 3.111 10.949 ( -1.477 -2.905 0.239) 3.267 10.967 ( -1.905 -2.585 -1.513) 3.549 11.160 ( 2.621 0.587 0.580) 2.747 11.171 ( 2.839 0.066 -0.579) 2.898 11.329 ( -0.806 1.076 1.524) 2.032 11.355 ( -1.121 0.879 -1.159) 1.837 11.430 ( 3.077 -2.662 1.177) 4.236 11.447 ( 2.617 -2.751 -0.707) 3.862 11.638 ( -1.609 0.109 1.918) 2.506 11.654 ( -1.792 -0.536 0.235) 1.885 23.200 ( 0.118 -0.010 0.378) 0.396 23.203 ( -0.045 0.098 0.402) 0.416 23.216 ( -0.345 0.079 -0.048) 0.357 23.227 ( -0.380 -0.216 -0.845) 0.951 24.276 ( 1.920 -0.333 0.767) 2.094 24.297 ( 1.723 -1.378 -1.354) 2.589 24.437 ( -1.297 3.064 -1.439) 3.625 24.445 ( -1.014 2.757 -2.260) 3.706 24.850 ( 3.535 0.113 2.044) 4.085 24.865 ( 4.039 -0.469 0.462) 4.092 25.186 ( 2.156 1.848 2.078) 3.519 25.216 ( 2.718 2.009 -0.875) 3.491 25.332 ( -4.452 -1.650 3.886) 6.135 25.399 ( -4.100 -2.863 -2.836) 5.749 25.623 ( -2.421 0.061 3.215) 4.025 25.664 ( -3.263 -1.167 -1.005) 3.608 ======================= Grid point 152 (57/60) ======================= q-point: ( 0.40 0.38 0.43) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 3.449 2.206 3.701) 5.519 0.685 ( 0.820 0.007 -2.318) 2.458 0.707 ( -1.072 0.364 1.878) 2.193 0.734 ( -2.136 -0.039 -1.011) 2.363 0.861 ( -0.677 6.266 2.595) 6.816 0.887 ( -0.539 2.305 1.386) 2.743 0.951 ( -0.434 1.683 -1.066) 2.039 0.953 ( -1.770 3.382 -1.793) 4.217 0.979 ( -0.707 -1.486 0.847) 1.851 0.999 ( -1.281 -0.644 -0.999) 1.747 1.174 ( -2.324 -7.085 2.491) 7.861 1.193 ( -3.838 -5.824 0.488) 6.992 1.286 ( 5.296 -0.945 4.106) 6.767 1.336 ( 4.266 -1.543 -0.895) 4.624 1.437 ( -6.333 -1.244 3.415) 7.302 1.446 ( -4.351 -0.598 2.511) 5.059 1.565 ( 0.777 2.654 0.634) 2.837 1.599 ( -1.833 2.909 -2.842) 4.461 1.719 ( 1.455 -2.058 1.453) 2.909 1.756 ( -1.297 -2.179 -2.153) 3.327 2.015 ( 2.595 -1.038 0.966) 2.957 2.031 ( 2.042 -0.844 -0.640) 2.301 2.098 ( -1.246 -1.273 2.337) 2.939 2.124 ( -2.803 -1.252 -0.057) 3.071 2.242 ( 1.960 3.402 0.078) 3.927 2.249 ( 1.275 3.271 -0.644) 3.569 2.402 ( 2.970 0.061 -0.478) 3.009 2.406 ( 2.667 0.576 -0.863) 2.862 2.501 ( 2.863 -3.268 1.191) 4.505 2.506 ( 3.411 -4.277 0.721) 5.518 2.599 ( -2.486 -0.404 0.690) 2.611 2.618 ( -3.405 -1.826 -1.139) 4.028 2.749 ( 1.707 3.931 0.457) 4.310 2.762 ( 1.116 3.337 -0.903) 3.632 2.834 ( -1.117 2.275 0.404) 2.567 2.849 ( -1.855 1.902 -1.084) 2.869 8.826 ( 1.084 0.943 -0.333) 1.475 8.832 ( 0.769 1.035 -0.901) 1.574 8.911 ( -0.151 -1.396 0.481) 1.484 8.920 ( -0.861 -1.412 -0.436) 1.710 8.975 ( 2.711 0.908 0.120) 2.862 8.994 ( 1.795 0.134 -1.986) 2.680 9.058 ( -2.705 1.859 -0.320) 3.297 9.070 ( -2.831 1.527 -1.551) 3.571 10.829 ( -0.523 1.576 -0.094) 1.663 10.834 ( -1.039 1.671 -0.624) 2.064 10.923 ( -0.654 -2.641 -0.283) 2.735 10.929 ( -1.195 -2.568 -0.863) 2.961 11.222 ( 2.685 1.110 0.761) 3.003 11.234 ( 2.343 0.873 -0.420) 2.535 11.301 ( -1.397 0.073 0.828) 1.626 11.317 ( -2.117 -0.094 -0.729) 2.240 11.506 ( 3.271 -1.360 0.771) 3.625 11.513 ( 2.961 -1.628 0.056) 3.379 11.592 ( -2.254 -1.391 1.499) 3.043 11.602 ( -2.707 -1.756 0.457) 3.258 23.203 ( 0.086 0.018 0.317) 0.329 23.204 ( 0.205 -0.082 0.005) 0.221 23.208 ( -0.159 -0.072 0.011) 0.175 23.216 ( -0.531 -0.290 -0.593) 0.847 24.327 ( 2.392 1.398 -0.126) 2.774 24.341 ( 1.771 0.967 -1.601) 2.575 24.401 ( -1.610 1.243 -0.872) 2.213 24.412 ( -1.865 1.011 -1.963) 2.890 24.968 ( 6.796 1.812 2.938) 7.622 24.989 ( 6.632 1.154 0.821) 6.782 25.153 ( -5.795 1.101 3.153) 6.689 25.179 ( -6.949 0.578 0.632) 7.001 25.310 ( 3.311 2.392 1.793) 4.461 25.348 ( -0.078 1.980 -1.806) 2.681 25.567 ( -1.738 -5.300 1.031) 5.672 25.587 ( -3.136 -5.165 -0.959) 6.118 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.000 -1.545 0.826) 1.752 0.651 ( 0.000 1.545 0.826) 1.752 0.713 ( 0.000 -1.924 -1.873) 2.685 0.713 ( 0.000 1.924 -1.873) 2.685 0.890 ( 0.000 -0.328 0.737) 0.807 0.890 ( 0.000 0.328 0.737) 0.807 1.030 ( 0.000 -1.924 1.357) 2.354 1.030 ( 0.000 1.924 1.357) 2.354 1.064 ( 0.000 -4.157 1.879) 4.562 1.064 ( 0.000 4.157 1.879) 4.562 1.123 ( 0.000 -3.477 -1.415) 3.754 1.123 ( 0.000 3.477 -1.415) 3.754 1.429 ( 0.000 -0.377 -0.570) 0.683 1.429 ( 0.000 0.377 -0.570) 0.683 1.536 ( 0.000 -0.199 2.181) 2.190 1.536 ( 0.000 0.199 2.181) 2.190 1.596 ( 0.000 -1.014 1.600) 1.894 1.596 ( 0.000 1.014 1.600) 1.894 1.804 ( 0.000 -0.357 -1.000) 1.062 1.804 ( 0.000 0.357 -1.000) 1.062 1.978 ( 0.000 -0.700 1.065) 1.274 1.978 ( 0.000 0.700 1.065) 1.274 2.100 ( 0.000 -1.826 2.104) 2.786 2.100 ( 0.000 1.826 2.104) 2.786 2.209 ( 0.000 -0.540 -1.107) 1.231 2.209 ( 0.000 0.540 -1.107) 1.231 2.248 ( 0.000 -1.339 0.497) 1.428 2.248 ( 0.000 1.339 0.497) 1.428 2.376 ( 0.000 -1.255 -0.938) 1.567 2.376 ( 0.000 1.255 -0.939) 1.567 2.666 ( 0.000 -1.145 -0.050) 1.146 2.666 ( 0.000 1.145 -0.050) 1.146 2.709 ( 0.000 -0.227 -0.049) 0.232 2.709 ( 0.000 0.227 -0.049) 0.232 2.907 ( 0.000 -0.372 -0.241) 0.443 2.907 ( 0.000 0.372 -0.241) 0.443 8.775 ( 0.000 -0.096 -0.425) 0.435 8.775 ( 0.000 0.096 -0.425) 0.435 8.909 ( 0.000 -0.463 0.330) 0.568 8.909 ( 0.000 0.463 0.330) 0.568 8.942 ( 0.000 -1.012 -0.979) 1.408 8.942 ( 0.000 1.012 -0.979) 1.408 9.192 ( 0.000 -0.218 -1.112) 1.133 9.192 ( 0.000 0.218 -1.112) 1.133 10.912 ( 0.000 -2.275 0.900) 2.447 10.912 ( 0.000 2.275 0.900) 2.447 10.942 ( 0.000 -2.137 -2.353) 3.179 10.942 ( 0.000 2.137 -2.353) 3.179 11.138 ( 0.000 -0.157 0.161) 0.224 11.138 ( 0.000 0.157 0.161) 0.224 11.352 ( 0.000 -0.667 1.476) 1.620 11.352 ( 0.000 0.667 1.476) 1.620 11.378 ( 0.000 -0.111 -1.138) 1.144 11.378 ( 0.000 0.111 -1.138) 1.144 11.668 ( 0.000 -0.487 1.182) 1.279 11.668 ( 0.000 0.487 1.182) 1.279 23.203 ( 0.000 -0.196 0.800) 0.824 23.203 ( 0.000 0.196 0.800) 0.824 23.226 ( 0.000 -0.345 -0.786) 0.858 23.226 ( 0.000 0.345 -0.786) 0.858 24.247 ( 0.000 -0.560 -0.076) 0.566 24.247 ( 0.000 0.560 -0.076) 0.566 24.494 ( 0.000 -0.158 -2.192) 2.197 24.494 ( 0.000 0.158 -2.192) 2.197 24.806 ( 0.000 -0.124 1.054) 1.061 24.806 ( 0.000 0.124 1.054) 1.061 25.180 ( 0.000 -0.946 1.168) 1.503 25.180 ( 0.000 0.946 1.168) 1.503 25.380 ( 0.000 -1.862 -0.610) 1.960 25.380 ( 0.000 1.862 -0.610) 1.960 25.697 ( 0.000 -1.325 2.036) 2.429 25.697 ( 0.000 1.325 2.036) 2.429 ======================= Grid point 157 (59/60) ======================= q-point: ( 0.20 -0.50 0.43) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -0.640 -2.263 1.210) 2.645 0.636 ( -0.640 2.263 1.210) 2.645 0.730 ( 0.951 -1.515 -2.247) 2.872 0.730 ( 0.951 1.515 -2.247) 2.872 0.897 ( 0.805 -0.611 1.028) 1.441 0.897 ( 0.805 0.611 1.028) 1.441 1.020 ( -1.189 -1.024 1.069) 1.899 1.020 ( -1.189 1.024 1.069) 1.899 1.055 ( -1.884 -5.484 3.249) 6.647 1.055 ( -1.884 5.484 3.249) 6.647 1.122 ( 0.996 -6.088 -1.868) 6.446 1.122 ( 0.996 6.088 -1.868) 6.446 1.318 ( -7.030 -0.351 0.062) 7.039 1.318 ( -7.030 0.351 0.062) 7.039 1.554 ( -3.277 -0.546 2.601) 4.219 1.554 ( -3.277 0.546 2.601) 4.219 1.578 ( 1.889 -0.738 0.860) 2.202 1.578 ( 1.888 0.738 0.860) 2.202 1.763 ( -3.061 -0.998 -1.705) 3.643 1.763 ( -3.061 0.998 -1.705) 3.643 1.985 ( 1.044 -0.897 1.491) 2.029 1.985 ( 1.044 0.897 1.491) 2.029 2.111 ( -0.069 -2.122 0.695) 2.234 2.111 ( -0.069 2.122 0.695) 2.234 2.241 ( 2.784 -0.872 -0.015) 2.917 2.241 ( 2.784 0.872 -0.015) 2.917 2.328 ( 5.973 -1.628 0.518) 6.212 2.328 ( 5.973 1.628 0.518) 6.212 2.377 ( 0.365 -1.805 -0.883) 2.042 2.377 ( 0.365 1.805 -0.883) 2.042 2.648 ( -1.685 -0.784 -0.142) 1.864 2.648 ( -1.685 0.784 -0.142) 1.864 2.737 ( 2.447 -0.287 -0.009) 2.463 2.737 ( 2.447 0.287 -0.009) 2.463 2.899 ( -0.862 -0.489 -0.255) 1.024 2.899 ( -0.862 0.489 -0.255) 1.024 8.799 ( 1.985 -0.177 -0.475) 2.048 8.799 ( 1.985 0.177 -0.475) 2.048 8.918 ( -0.006 -0.959 0.684) 1.178 8.918 ( -0.006 0.959 0.684) 1.178 8.937 ( 0.539 -1.336 -1.412) 2.017 8.937 ( 0.539 1.336 -1.412) 2.017 9.161 ( -2.665 -0.255 -1.094) 2.892 9.161 ( -2.665 0.255 -1.094) 2.892 10.894 ( -1.469 -2.244 0.217) 2.690 10.894 ( -1.469 2.244 0.217) 2.690 10.916 ( -1.819 -2.211 -1.460) 3.214 10.916 ( -1.819 2.211 -1.460) 3.214 11.170 ( 2.587 -0.264 0.052) 2.601 11.170 ( 2.587 0.264 0.052) 2.601 11.353 ( -1.068 -1.151 0.554) 1.665 11.353 ( -1.068 1.151 0.554) 1.665 11.407 ( 3.246 -0.862 -0.107) 3.360 11.407 ( 3.246 0.862 -0.107) 3.360 11.643 ( -2.185 -0.431 1.105) 2.486 11.643 ( -2.185 0.431 1.105) 2.486 23.202 ( -0.024 -0.143 0.639) 0.656 23.202 ( -0.024 0.143 0.639) 0.656 23.221 ( -0.412 -0.334 -0.684) 0.866 23.221 ( -0.412 0.334 -0.684) 0.866 24.277 ( 2.545 -0.506 -0.306) 2.613 24.277 ( 2.545 0.506 -0.306) 2.613 24.474 ( -1.780 -0.224 -2.036) 2.714 24.474 ( -1.780 0.224 -2.036) 2.714 24.854 ( 4.408 -0.400 1.344) 4.626 24.854 ( 4.408 0.400 1.344) 4.626 25.226 ( 3.541 -1.499 2.049) 4.357 25.226 ( 3.541 1.499 2.049) 4.357 25.334 ( -3.851 -2.447 -1.203) 4.719 25.334 ( -3.851 2.447 -1.203) 4.719 25.641 ( -4.763 -1.169 1.632) 5.169 25.641 ( -4.763 1.169 1.632) 5.169 ======================= Grid point 159 (60/60) ======================= q-point: ( 0.40 -0.50 0.43) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 2.854 -1.436 0.875) 3.313 0.657 ( 2.854 1.436 0.875) 3.313 0.725 ( -1.991 -0.718 -0.573) 2.193 0.725 ( -1.991 0.718 -0.573) 2.193 0.928 ( 1.872 -1.289 1.052) 2.504 0.928 ( 1.872 1.289 1.052) 2.504 0.977 ( -2.584 -1.313 1.108) 3.103 0.977 ( -2.584 1.313 1.108) 3.103 1.016 ( -0.161 -4.222 1.668) 4.543 1.016 ( -0.161 4.222 1.668) 4.543 1.072 ( -5.002 -3.828 -1.136) 6.400 1.072 ( -5.002 3.828 -1.136) 6.400 1.294 ( 5.118 -1.620 1.649) 5.616 1.294 ( 5.118 1.620 1.649) 5.616 1.436 ( -6.724 -0.577 2.616) 7.238 1.436 ( -6.724 0.577 2.616) 7.238 1.633 ( 2.748 -2.432 -0.166) 3.673 1.633 ( 2.748 2.432 -0.166) 3.673 1.695 ( -2.985 -2.452 -1.629) 4.192 1.695 ( -2.985 2.452 -1.629) 4.192 2.023 ( 2.292 -1.114 1.081) 2.768 2.023 ( 2.292 1.114 1.081) 2.768 2.079 ( -2.496 -1.444 0.248) 2.895 2.079 ( -2.496 1.444 0.248) 2.895 2.316 ( 3.425 -0.313 0.271) 3.450 2.316 ( 3.425 0.313 0.271) 3.450 2.366 ( -0.998 -0.302 0.215) 1.065 2.366 ( -0.998 0.302 0.215) 1.065 2.477 ( 6.129 -0.145 -0.083) 6.131 2.477 ( 6.129 0.145 -0.083) 6.131 2.588 ( -3.916 -0.375 -0.071) 3.935 2.588 ( -3.916 0.375 -0.071) 3.935 2.802 ( 3.190 -0.385 -0.152) 3.217 2.802 ( 3.190 0.385 -0.152) 3.217 2.864 ( -2.294 -0.492 -0.242) 2.359 2.864 ( -2.294 0.492 -0.242) 2.359 8.847 ( 2.182 -0.401 -0.438) 2.261 8.847 ( 2.182 0.401 -0.438) 2.261 8.891 ( -1.788 -0.520 -0.246) 1.878 8.891 ( -1.788 0.520 -0.246) 1.878 8.991 ( 3.752 -0.498 -0.800) 3.869 8.991 ( 3.752 0.498 -0.800) 3.869 9.083 ( -4.236 -0.347 -0.991) 4.364 9.083 ( -4.236 0.347 -0.991) 4.364 10.869 ( -0.421 -1.361 -0.469) 1.500 10.869 ( -0.421 1.361 -0.469) 1.500 10.880 ( -1.299 -1.374 -0.680) 2.009 10.880 ( -1.299 1.374 -0.680) 2.009 11.239 ( 3.469 -0.383 0.142) 3.492 11.239 ( 3.469 0.383 0.142) 3.492 11.310 ( -2.764 -0.556 0.222) 2.828 11.310 ( -2.764 0.556 0.222) 2.828 11.493 ( 4.151 -0.195 0.499) 4.185 11.493 ( 4.151 0.195 0.499) 4.185 11.579 ( -3.564 -0.278 0.856) 3.676 11.579 ( -3.564 0.278 0.856) 3.676 23.203 ( 0.187 -0.065 0.197) 0.279 23.203 ( 0.187 0.065 0.197) 0.279 23.211 ( -0.448 -0.233 -0.332) 0.605 23.211 ( -0.448 0.233 -0.332) 0.605 24.346 ( 3.499 -0.409 -0.897) 3.635 24.346 ( 3.499 0.409 -0.897) 3.635 24.420 ( -3.072 -0.325 -1.560) 3.460 24.420 ( -3.072 0.325 -1.560) 3.460 24.993 ( 7.930 -0.583 1.836) 8.161 24.993 ( 7.930 0.583 1.836) 8.161 25.174 ( -7.764 -0.841 2.331) 8.150 25.174 ( -7.764 0.841 2.331) 8.150 25.364 ( 6.191 -1.593 -0.692) 6.430 25.364 ( 6.191 1.593 -0.692) 6.430 25.510 ( -6.730 -1.069 0.616) 6.842 25.510 ( -6.730 1.069 0.616) 6.842 =================== 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 3/20160 10.0 0.796 1.510 1.559 0.000 0.000 0.000 3/20160 20.0 0.329 0.561 0.554 0.000 0.000 0.000 3/20160 30.0 0.222 0.347 0.339 0.000 0.000 0.000 3/20160 40.0 0.172 0.255 0.248 0.000 0.000 0.000 3/20160 50.0 0.143 0.204 0.197 0.000 0.000 0.000 3/20160 60.0 0.123 0.172 0.166 0.000 0.000 0.000 3/20160 70.0 0.109 0.151 0.144 0.000 0.000 0.000 3/20160 80.0 0.099 0.136 0.129 0.000 0.000 0.000 3/20160 90.0 0.091 0.124 0.117 0.000 0.000 0.000 3/20160 100.0 0.085 0.115 0.107 0.000 0.000 0.000 3/20160 110.0 0.080 0.108 0.100 0.000 0.000 0.000 3/20160 120.0 0.075 0.102 0.093 0.000 0.000 0.000 3/20160 130.0 0.072 0.096 0.088 0.000 0.000 0.000 3/20160 140.0 0.068 0.092 0.083 0.000 0.000 0.000 3/20160 150.0 0.065 0.087 0.079 0.000 0.000 0.000 3/20160 160.0 0.063 0.084 0.075 0.000 0.000 0.000 3/20160 170.0 0.061 0.080 0.072 0.000 0.000 0.000 3/20160 180.0 0.059 0.077 0.069 0.000 0.000 0.000 3/20160 190.0 0.057 0.075 0.067 0.000 0.000 0.000 3/20160 200.0 0.055 0.072 0.064 0.000 0.000 0.000 3/20160 210.0 0.053 0.070 0.062 0.000 0.000 0.000 3/20160 220.0 0.052 0.068 0.060 0.000 0.000 0.000 3/20160 230.0 0.051 0.066 0.058 0.000 0.000 0.000 3/20160 240.0 0.049 0.064 0.056 0.000 0.000 0.000 3/20160 250.0 0.048 0.062 0.055 0.000 0.000 0.000 3/20160 260.0 0.047 0.061 0.053 0.000 0.000 0.000 3/20160 270.0 0.046 0.059 0.052 0.000 0.000 0.000 3/20160 280.0 0.045 0.058 0.051 0.000 0.000 0.000 3/20160 290.0 0.044 0.056 0.049 0.000 0.000 0.000 3/20160 300.0 0.043 0.055 0.048 0.000 0.000 0.000 3/20160 310.0 0.042 0.054 0.047 0.000 0.000 0.000 3/20160 320.0 0.041 0.053 0.046 0.000 0.000 0.000 3/20160 330.0 0.041 0.052 0.045 0.000 0.000 0.000 3/20160 340.0 0.040 0.051 0.044 0.000 0.000 0.000 3/20160 350.0 0.039 0.049 0.043 0.000 0.000 0.000 3/20160 360.0 0.038 0.048 0.042 0.000 0.000 0.000 3/20160 370.0 0.038 0.048 0.041 0.000 0.000 0.000 3/20160 380.0 0.037 0.047 0.041 0.000 0.000 0.000 3/20160 390.0 0.036 0.046 0.040 0.000 0.000 0.000 3/20160 400.0 0.036 0.045 0.039 0.000 0.000 0.000 3/20160 410.0 0.035 0.044 0.038 0.000 0.000 0.000 3/20160 420.0 0.034 0.043 0.038 0.000 0.000 0.000 3/20160 430.0 0.034 0.043 0.037 0.000 0.000 0.000 3/20160 440.0 0.033 0.042 0.036 0.000 0.000 0.000 3/20160 450.0 0.033 0.041 0.036 0.000 0.000 0.000 3/20160 460.0 0.032 0.040 0.035 0.000 0.000 0.000 3/20160 470.0 0.032 0.040 0.034 0.000 0.000 0.000 3/20160 480.0 0.031 0.039 0.034 0.000 0.000 0.000 3/20160 490.0 0.031 0.038 0.033 0.000 0.000 0.000 3/20160 500.0 0.030 0.038 0.033 0.000 0.000 0.000 3/20160 510.0 0.030 0.037 0.032 0.000 0.000 0.000 3/20160 520.0 0.029 0.037 0.032 0.000 0.000 0.000 3/20160 530.0 0.029 0.036 0.031 0.000 0.000 0.000 3/20160 540.0 0.029 0.036 0.031 0.000 0.000 0.000 3/20160 550.0 0.028 0.035 0.030 0.000 0.000 0.000 3/20160 560.0 0.028 0.034 0.030 0.000 0.000 0.000 3/20160 570.0 0.027 0.034 0.029 0.000 0.000 -0.000 3/20160 580.0 0.027 0.033 0.029 0.000 0.000 -0.000 3/20160 590.0 0.027 0.033 0.029 0.000 0.000 -0.000 3/20160 600.0 0.026 0.033 0.028 0.000 0.000 -0.000 3/20160 610.0 0.026 0.032 0.028 0.000 0.000 -0.000 3/20160 620.0 0.026 0.032 0.027 0.000 0.000 -0.000 3/20160 630.0 0.025 0.031 0.027 0.000 0.000 -0.000 3/20160 640.0 0.025 0.031 0.027 0.000 0.000 -0.000 3/20160 650.0 0.025 0.030 0.026 0.000 0.000 -0.000 3/20160 660.0 0.024 0.030 0.026 0.000 0.000 -0.000 3/20160 670.0 0.024 0.030 0.026 0.000 0.000 -0.000 3/20160 680.0 0.024 0.029 0.025 0.000 0.000 -0.000 3/20160 690.0 0.023 0.029 0.025 0.000 0.000 -0.000 3/20160 700.0 0.023 0.028 0.025 0.000 0.000 -0.000 3/20160 710.0 0.023 0.028 0.024 0.000 0.000 -0.000 3/20160 720.0 0.022 0.028 0.024 0.000 0.000 -0.000 3/20160 730.0 0.022 0.027 0.024 0.000 0.000 -0.000 3/20160 740.0 0.022 0.027 0.023 0.000 0.000 -0.000 3/20160 750.0 0.022 0.027 0.023 0.000 0.000 -0.000 3/20160 760.0 0.021 0.026 0.023 0.000 0.000 -0.000 3/20160 770.0 0.021 0.026 0.023 0.000 0.000 -0.000 3/20160 780.0 0.021 0.026 0.022 0.000 0.000 -0.000 3/20160 790.0 0.021 0.026 0.022 0.000 0.000 -0.000 3/20160 800.0 0.021 0.025 0.022 0.000 0.000 -0.000 3/20160 810.0 0.020 0.025 0.022 0.000 0.000 -0.000 3/20160 820.0 0.020 0.025 0.021 0.000 0.000 -0.000 3/20160 830.0 0.020 0.024 0.021 0.000 0.000 -0.000 3/20160 840.0 0.020 0.024 0.021 0.000 0.000 -0.000 3/20160 850.0 0.019 0.024 0.021 0.000 0.000 -0.000 3/20160 860.0 0.019 0.024 0.020 0.000 0.000 -0.000 3/20160 870.0 0.019 0.023 0.020 0.000 0.000 -0.000 3/20160 880.0 0.019 0.023 0.020 0.000 0.000 -0.000 3/20160 890.0 0.019 0.023 0.020 0.000 0.000 -0.000 3/20160 900.0 0.018 0.023 0.020 0.000 0.000 -0.000 3/20160 910.0 0.018 0.023 0.019 0.000 0.000 -0.000 3/20160 920.0 0.018 0.022 0.019 0.000 0.000 -0.000 3/20160 930.0 0.018 0.022 0.019 0.000 0.000 -0.000 3/20160 940.0 0.018 0.022 0.019 0.000 0.000 -0.000 3/20160 950.0 0.018 0.022 0.019 0.000 0.000 -0.000 3/20160 960.0 0.017 0.021 0.019 0.000 0.000 -0.000 3/20160 970.0 0.017 0.021 0.018 0.000 0.000 -0.000 3/20160 980.0 0.017 0.021 0.018 0.000 0.000 -0.000 3/20160 990.0 0.017 0.021 0.018 0.000 0.000 -0.000 3/20160 1000.0 0.017 0.021 0.018 0.000 0.000 -0.000 3/20160 Thermal conductivity related properties were written into "kappa-m587.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:27:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|